727	542	811	0:SP2_SP2_SP3	C[5,6a,6a]	N[5]	B[3x6a]	4:3:3:	3:3:4:	3:3:3:3:	B[3x6a]-4:N[5,6a,6a]-3:N[5]-3:	C[5,6a,6a]-3:C[5]-3:C-4:	N[5a,6a,6a]-3:C[5,6a,6a]-3:N[6a,6a]-3:C[6a]-3:	C[5,6a,6a](B[3x6a]N[5a,6a,6a]N[6a,6a]C[6a])(N[5,6a,6a]B[3x6a]C[5])(N[5]C[5]C)	N[5](C[5,6a,6a]N[5,6a,6a]B[3x6a])(C[5]C[5]H)(CH3)	B[3x6a](N[5a,6a,6a]C[5a,6a,6a]C[5a])(C[5,6a,6a]N[5,6a,6a]N[5])(N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[5,6a,6a](B[3x6a]N[5a,6a,6a]N[6a,6a]C[6a])(N[5,6a,6a]B[3x6a]C[5])(N[5]C[5]C){2|H<1>,7|C<3>}	N[5](C[5,6a,6a]N[5,6a,6a]B[3x6a])(C[5]C[5]H)(CH3){1|B<4>,1|C<3>,1|H<1>,2|N<3>}	B[3x6a](N[5a,6a,6a]C[5a,6a,6a]C[5a])(C[5,6a,6a]N[5,6a,6a]N[5])(N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|B<4>,1|C<2>,1|C<4>,1|N<3>,3|H<1>,7|C<3>}	134.9470	0.000	1	134.9470	0.000	1	134.9470	0.000	1	135.5695	0.775	2	135.5695	0.775	2	135.5695	0.775	2
727	542	811	0:SP2_SP2_SP3	C[5,6a,6a]	N[5]	B[3x6a]	4:3:3:	3:3:4:	3:3:3:3:	B[3x6a]-4:N[5,6a,6a]-3:N[5]-3:	C[5,6a,6a]-3:C[5]-3:C-4:	N[5a,6a,6a]-3:N[5a,6a,6a]-3:C[5,6a,6a]-3:C[6a]-3:	C[5,6a,6a](B[3x6a]N[5a,6a,6a]2C[6a])(N[5,6a,6a]B[3x6a]C[5])(N[5]C[5]C)	N[5](C[5,6a,6a]N[5,6a,6a]B[3x6a])(C[5]C[5]H)(CH3)	B[3x6a](N[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(N[5a,6a,6a]C[5a,6a,6a]C[5a])(C[5,6a,6a]N[5,6a,6a]N[5])(C[6a]C[6a]2)	C[5,6a,6a](B[3x6a]N[5a,6a,6a]2C[6a])(N[5,6a,6a]B[3x6a]C[5])(N[5]C[5]C){2|H<1>,7|C<3>}	N[5](C[5,6a,6a]N[5,6a,6a]B[3x6a])(C[5]C[5]H)(CH3){1|B<4>,1|C<3>,1|H<1>,2|N<3>}	B[3x6a](N[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(N[5a,6a,6a]C[5a,6a,6a]C[5a])(C[5,6a,6a]N[5,6a,6a]N[5])(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,3|H<1>,8|C<3>}	136.1920	0.000	1	136.1920	0.000	1	136.1920	0.000	1	135.5695	0.775	2	135.5695	0.775	2	135.5695	0.775	2
727	542	813	0:SP2_SP2_SP2	C[5,5a]	N[5]	N[5a]	3:3:3:	3:3:1:	3:2:1:	N[5,5a]-3:N[5a]-3:N[5]-3:	C[5,5a]-3:C[5]-3:H-1:	C[5,5a]-3:N[5a]-2:H-1:	C[5,5a](N[5,5a]C[5a]N[5])(N[5a]N[5a]H)(N[5]C[5]H)	N[5](C[5,5a]N[5,5a]N[5a])(C[5]N[5]C)(H)	N[5a](C[5,5a]N[5,5a]N[5])(N[5a]C[5a])(H)	C[5,5a](N[5,5a]C[5a]N[5])(N[5a]N[5a]H)(N[5]C[5]H){1|C<3>,1|C<4>}	N[5](C[5,5a]N[5,5a]N[5a])(C[5]N[5]C)(H){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5,5a]N[5,5a]N[5])(N[5a]C[5a])(H){1|H<1>,1|N<2>,2|C<3>}	144.1230	0.000	1	144.1230	0.000	1	144.1230	0.000	1	144.1230	0.000	1	136.2273	47.849	3	124.2757	30.381	24
727	542	813	0:SP2_SP2_SP2	C[5,5a]	N[5]	N[5a]	3:3:3:	3:4:4:	3:3:4:	C[5,5a]-3:N[5a]-3:N[5]-3:	C[5,5a]-3:C[5,5]-4:S-4:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(N[5a]C[5a,6a]C)(N[5]C[5,5]S)	N[5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5,5]O[5]H)(SC[6a]OO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]N[5])(CCHH)	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(N[5a]C[5a,6a]C)(N[5]C[5,5]S){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5,5]O[5]H)(SC[6a]OO){1|H<1>,2|C<3>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]N[5])(CCHH){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	133.3250	0.000	1	133.3250	0.000	1	133.3250	0.000	1	132.2795	2.186	2	136.2273	47.849	3	124.2757	30.381	24
727	542	813	0:SP2_SP2_SP2	C[5,5a]	N[5]	N[5a]	3:3:3:	3:4:4:	3:3:4:	C[5,5a]-3:N[5a]-3:N[5]-3:	C[5,5a]-3:C[5]-4:S-4:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(N[5]C[5]S)	N[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(SC[6a]OO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]N[5])(CH3)	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(N[5]C[5]S){3|C<3>,3|H<1>}	N[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]N[5])(CH3){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	131.2340	0.000	1	131.2340	0.000	1	131.2340	0.000	1	132.2795	2.186	2	136.2273	47.849	3	124.2757	30.381	24
727	542	813	0:SP2_SP2_SP2	C[5a]	N[5]	N[5a]	3:2:3:	3:3:3:	3:3:1:	N[5a]-3:N[5a]-2:N[5]-3:	C[5a]-3:C[5]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(N[5]C[5]2)	N[5](C[5a]N[5a]2)(C[5]C[5]H)(C[5]N[5]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(N[5]C[5]2){1|N<3>,2|H<1>,3|C<3>}	N[5](C[5a]N[5a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5])(H){1|H<1>,4|C<3>}	121.2123	0.772	3	121.2123	0.596	3	122.1034	1.007	8	122.1034	1.007	8	122.5683	5.666	21	124.2757	30.381	24
727	542	813	0:SP2_SP2_SP2	C[5a]	N[5]	N[5a]	3:2:3:	3:3:3:	3:3:1:	N[5a]-3:N[5a]-2:N[5]-3:	C[5a]-3:C[5]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(N[5]C[5]2)	N[5](C[5a]N[5a]2)(C[5]C[5]H)(C[5]N[5]S)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(N[5]C[5]2){1|H<1>,1|N<3>,1|S<1>,3|C<3>}	N[5](C[5a]N[5a]2)(C[5]C[5]H)(C[5]N[5]S){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5])(H){1|H<1>,4|C<3>}	122.4973	0.935	3	122.4973	0.875	3	122.1034	1.007	8	122.1034	1.007	8	122.5683	5.666	21	124.2757	30.381	24
727	542	813	0:SP2_SP2_SP2	C[5a]	N[5]	N[5a]	3:2:3:	3:3:3:	3:3:1:	N[5a]-3:N[5a]-2:N[5]-3:	C[5a]-3:C[5]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(N[5]C[5]2)	N[5](C[5a]N[5a]2)(C[5]N[5]Se)(C[5]C[5]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(N[5]C[5]2){1|Se<1>,1|H<1>,1|N<3>,3|C<3>}	N[5](C[5a]N[5a]2)(C[5]N[5]Se)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5])(H){1|H<1>,4|C<3>}	122.8490	0.382	2	122.8490	0.146	2	122.1034	1.007	8	122.1034	1.007	8	122.5683	5.666	21	124.2757	30.381	24
727	542	813	0:SP2_SP2_SP2	C[5a]	N[5]	N[5a]	3:2:3:	3:4:4:	3:2:1:	N[5a]-3:N[5a]-2:N[5]-3:	C[5a]-3:C[5]-4:C[5]-4:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(N[5]C[5]2)	N[5](C[5a]N[5a]2)(C[5]C[5]HH)2	N[5a](C[5a]N[5a]N[5])(N[5a]C[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(N[5]C[5]2){1|C<3>,2|C<4>,4|H<1>}	N[5](C[5a]N[5a]2)(C[5]C[5]HH)2{1|C<3>,1|N<2>,5|H<1>}	N[5a](C[5a]N[5a]N[5])(N[5a]C[5a])(H){1|C<3>,2|C<4>}	122.8140	0.000	1	122.8140	0.000	1	122.8140	0.000	1	122.8140	0.000	1	122.5683	5.666	21	124.2757	30.381	24
727	542	813	0:SP2_SP2_SP2	C[5a]	N[5]	N[5a]	3:2:3:	3:4:4:	3:2:3:	N[5a]-3:N[5a]-2:N[5]-3:	C[5a]-3:C[5]-4:C[5]-4:	C[5a]-3:N[5a]-2:C-3:	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(N[5]C[5]2)	N[5](C[5a]N[5a]2)(C[5]C[5]HH)2	N[5a](C[5a]N[5a]N[5])(N[5a]N[5a])(CCH)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(N[5]C[5]2){2|C<4>,4|H<1>}	N[5](C[5a]N[5a]2)(C[5]C[5]HH)2{1|C<3>,2|N<2>,4|H<1>}	N[5a](C[5a]N[5a]N[5])(N[5a]N[5a])(CCH){2|C<4>}	127.4570	0.000	1	127.4570	0.000	1	127.4570	0.000	1	127.4570	0.000	1	122.5683	5.666	21	124.2757	30.381	24
727	542	813	0:SP2_SP2_SP2	C[5a]	N[5]	N[5a]	3:2:3:	3:4:4:	3:2:4:	N[5a]-3:N[5a]-2:N[5]-3:	C[5a]-3:C[5]-4:C[5]-4:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(N[5]C[5]2)	N[5](C[5a]N[5a]2)(C[5]C[5]HH)2	N[5a](C[5a]N[5a]N[5])(N[5a]N[5a])(CCHH)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(N[5]C[5]2){2|C<4>,4|H<1>}	N[5](C[5a]N[5a]2)(C[5]C[5]HH)2{1|C<4>,2|N<2>,4|H<1>}	N[5a](C[5a]N[5a]N[5])(N[5a]N[5a])(CCHH){2|C<4>}	127.8720	0.000	1	127.8720	0.000	1	127.8720	0.000	1	127.8720	0.000	1	122.5683	5.666	21	124.2757	30.381	24
727	542	813	0:SP2_SP2_SP2	C[5a]	N[5]	N[5a]	3:2:3:	3:4:4:	3:3:2:	N[5a]-3:N[5a]-2:N[5]-3:	C[5a]-3:C[5]-4:C[5]-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(N[5]C[5]2)	N[5](C[5a]N[5a]2)(C[5]C[5]HH)2	N[5a](C[5a]N[5a]N[5])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(N[5]C[5]2){2|C<3>,2|C<4>,4|H<1>}	N[5](C[5a]N[5a]2)(C[5]C[5]HH)2{1|C<3>,2|N<2>,4|H<1>}	N[5a](C[5a]N[5a]N[5])(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|C<4>,2|H<1>}	127.0170	0.000	1	127.0170	0.000	1	127.0170	0.000	1	127.0170	0.000	1	122.5683	5.666	21	124.2757	30.381	24
727	542	813	0:SP2_SP2_SP2	C[5a]	N[5]	N[5a]	3:3:2:	3:3:3:	3:3:1:	N[5]-3:N[5a]-3:N[5a]-2:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5]C[5,6a]C[5])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]2)(C[5]S[5]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5])(H)	C[5a](N[5]C[5,6a]C[5])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|N<2>,1|S<2>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]2)(C[5]S[5]N){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5])(H){1|H<1>,4|C<3>}	120.5970	0.000	1	120.5970	0.000	1	120.5970	0.000	1	120.5970	0.000	1	122.5683	5.666	21	124.2757	30.381	24
727	542	813	0:SP2_SP2_SP2	C[5a]	N[5]	N[5a]	3:3:2:	3:3:4:	3:3:3:	N[5]-3:N[5a]-3:N[5a]-2:	C[5,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](N[5]C[5,6a]C[5])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]2)(C[5]C[5]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5])(CCC)	C[5a](N[5]C[5,6a]C[5])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|C<4>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]2)(C[5]C[5]HH){1|C<4>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5])(CCC){1|C<4>,1|H<1>,3|C<3>}	123.0090	0.000	1	123.0090	0.000	1	123.0090	0.000	1	123.0090	0.000	1	122.5683	5.666	21	124.2757	30.381	24
727	542	813	0:SP2_SP2_SP2	C[5a]	N[5]	N[5a]	3:3:2:	4:3:3:	3:3:2:	N[5a]-3:N[5]-3:N[5a]-2:	C[5,6]-4:C[5a]-3:C[5]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(N[5]C[5,6]C[5])(N[5a]C[5a])	N[5](C[5,6]C[6]2O[5])(C[5a]N[5a]2)(C[5]C[5]O)	N[5a](C[5a]N[5a]N[5])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(N[5]C[5,6]C[5])(N[5a]C[5a]){1|C<4>,1|O<1>,1|O<2>,5|C<3>}	N[5](C[5,6]C[6]2O[5])(C[5a]N[5a]2)(C[5]C[5]O){1|N<2>,4|C<3>,4|H<1>}	N[5a](C[5a]N[5a]N[5])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	123.2940	0.000	1	123.2940	0.000	1	123.2940	0.000	1	123.2940	0.000	1	122.5683	5.666	21	124.2757	30.381	24
727	542	813	0:SP2_SP2_SP2	C[5a]	N[5]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:N[5]-3:	C[5a]-3:C[5]-3:C[5]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(N[5]C[5]2)	N[5](C[5a]C[5a]N[5a])(C[5]C[5]O)2	N[5a](C[5a]C[5a]N[5])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(N[5]C[5]2){1|C<2>,2|O<1>,4|C<3>}	N[5](C[5a]C[5a]N[5a])(C[5]C[5]O)2{1|N<2>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]N[5])(C[6a]C[6a]2)(N[5a]C[5a]){2|Cl<1>,1|C<2>,1|H<1>,4|C<3>}	121.7370	0.000	1	121.7370	0.000	1	121.7370	0.000	1	121.7370	0.000	1	122.5683	5.666	21	124.2757	30.381	24
727	542	813	0:SP2_SP2_SP2	C[5a]	N[5]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:N[5]-3:	C[5a]-3:C[5]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(N[5]C[5]2)	N[5](C[5a]C[5a]N[5a])(C[5]C[5]O)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N[5])(CC[6a]HH)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(N[5]C[5]2){1|C<3>,1|N<2>,2|C<4>,2|O<1>}	N[5](C[5a]C[5a]N[5a])(C[5]C[5]O)2{1|C<4>,2|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N[5])(CC[6a]HH){1|H<1>,4|C<3>}	118.3370	0.000	1	118.3370	0.000	1	118.3370	0.000	1	118.3370	0.000	1	122.5683	5.666	21	124.2757	30.381	24
727	542	813	0:SP2_SP2_SP2	C[5a]	N[5]	N[5a]	3:3:3:	3:4:3:	3:2:4:	C[5a]-3:N[5a]-3:N[5]-3:	C[5a]-3:C[5]-4:C[5]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(N[5]C[5]2)	N[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]O[5]O)	N[5a](C[5a]C[5a]N[5])(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]O[5]O){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	N[5a](C[5a]C[5a]N[5])(N[5a]N[5a])(CC[6a]HH){1|C<4>,2|C<3>}	120.8663	0.607	3	120.8663	0.368	3	120.8663	0.368	3	120.8663	0.368	3	122.5683	5.666	21	124.2757	30.381	24
727	542	813	0:SP2_SP2_SP2	C[5a]	N[5]	N[5a]	3:3:3:	4:3:3:	3:3:2:	N[5a]-3:C[5a]-3:N[5]-3:	C[5]-4:C[5a]-3:C[5]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(N[5]C[5]2)	N[5](C[5]C[5,6a]C[6a]H)(C[5a]C[5a]N[5a])(C[5]C[5,6a]O)	N[5a](C[5a]C[5a]N[5])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(N[5]C[5]2){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	N[5](C[5]C[5,6a]C[6a]H)(C[5a]C[5a]N[5a])(C[5]C[5,6a]O){1|H<1>,1|N<2>,6|C<3>}	N[5a](C[5a]C[5a]N[5])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,3|C<3>,3|H<1>}	122.3750	0.000	1	122.3750	0.000	1	122.3750	0.000	1	122.3750	0.000	1	122.5683	5.666	21	124.2757	30.381	24
727	542	813	0:SP2_SP2_SP3	C[5a]	N[5]	N[5a]	3:2:3:	3:4:3:	3:3:4:	N[5a]-3:N[5a]-2:N[5]-3:	C[5a]-3:C[5]-4:C[5]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(N[5]C[5]2)	N[5](C[5a]N[5a]2)(C[5]C[5]HH)(C[5]N[5]O)	N[5a](C[5a]N[5a]N[5])(C[5a]C[5a]N)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(N[5]C[5]2){1|C<4>,1|O<1>,2|N<3>,3|H<1>}	N[5](C[5a]N[5a]2)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]N[5])(C[5a]C[5a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	123.4300	0.000	1	123.4300	0.000	1	123.4300	0.000	1	123.4300	0.000	1	121.8700	4.867	2	121.8700	4.867	2
727	542	813	0:SP2_SP2_SP3	C[5a]	N[5]	N[5a]	3:3:3:	3:4:3:	3:2:4:	C[5a]-3:N[5a]-3:N[5]-3:	C[5a]-3:C[5]-4:C[5]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(N[5]C[5]2)	N[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]O[5]O)	N[5a](C[5a]C[5a]N[5])(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]O[5]O){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	N[5a](C[5a]C[5a]N[5])(N[5a]N[5a])(CC[6a]HH){1|C<4>,2|C<3>}	120.3100	0.000	1	120.3100	0.000	1	120.3100	0.000	1	120.3100	0.000	1	121.8700	4.867	2	121.8700	4.867	2
727	542	813	5:SP2_SP2_SP2	C[5,5a]	N[5,6]	N[5,5a]	3:3:2:	4:3:3:	3:3:3:	N[5,6]-3:N[5,5a]-3:S[5a]-2:	C[5,6,6]-4:C[5,5a]-3:C[5,6]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a](N[5,6]C[5,6,6]C[5,6])(N[5,5a]C[5a]C[5])(S[5a]C[5a])	N[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,5a]N[5,5a]S[5a])(C[5,6]C[5]C[6])	N[5,5a](C[5,5a]N[5,6]S[5a])(C[5a]C[5a]C[6a])(C[5]C[5,6]N)	C[5,5a](N[5,6]C[5,6,6]C[5,6])(N[5,5a]C[5a]C[5])(S[5a]C[5a]){1|N<3>,2|C<3>,4|C<4>}	N[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,5a]N[5,5a]S[5a])(C[5,6]C[5]C[6]){1|N<3>,1|O<2>,2|C<4>,4|C<3>,6|H<1>}	N[5,5a](C[5,5a]N[5,6]S[5a])(C[5a]C[5a]C[6a])(C[5]C[5,6]N){2|C<4>,3|C<3>}	109.6520	0.000	1	109.6520	0.000	1	109.6520	0.000	1	109.6520	0.000	1	109.6520	0.000	1	107.3354	3.663	73
727	542	813	5:SP2_SP2_SP2	C[5,5a]	N[5]	N[5,5a]	3:2:3:	3:3:1:	3:3:2:	N[5,5a]-3:N[5a]-2:N[5]-3:	C[5,5a]-3:C[5]-3:H-1:	C[5,5a]-3:C[5a]-3:N[5]-2:	C[5,5a](N[5,5a]C[5a]N[5])(N[5a]N[5a])(N[5]C[5]H)	N[5](C[5,5a]N[5,5a]N[5a])(C[5]N[5]N)(H)	N[5,5a](C[5,5a]N[5a]N[5])(C[5a]N[5a]N)(N[5]C[5])	C[5,5a](N[5,5a]C[5a]N[5])(N[5a]N[5a])(N[5]C[5]H){1|H<1>,2|N<3>}	N[5](C[5,5a]N[5,5a]N[5a])(C[5]N[5]N)(H){1|C<3>,1|N<3>}	N[5,5a](C[5,5a]N[5a]N[5])(C[5a]N[5a]N)(N[5]C[5]){1|N<3>,2|H<1>}	105.5460	0.000	1	105.5460	0.000	1	105.5460	0.000	1	105.5460	0.000	1	107.4204	9.071	17	107.3354	3.663	73
727	542	813	5:SP2_SP2_SP2	C[5,5a]	N[5]	N[5,5a]	3:2:3:	3:3:2:	3:3:2:	N[5,5a]-3:N[5a]-2:N[5]-3:	C[5,5a]-3:C[5]-3:N-2:	C[5,5a]-3:C[5a]-3:N[5]-2:	C[5,5a](N[5,5a]C[5a]N[5])(N[5a]N[5a])(N[5]C[5]N)	N[5](C[5,5a]N[5,5a]N[5a])(C[5]N[5]N)(NN)	N[5,5a](C[5,5a]N[5a]N[5])(C[5a]N[5a]N)(N[5]C[5])	C[5,5a](N[5,5a]C[5a]N[5])(N[5a]N[5a])(N[5]C[5]N){1|H<1>,2|N<2>}	N[5](C[5,5a]N[5,5a]N[5a])(C[5]N[5]N)(NN){1|C<3>,1|N<3>}	N[5,5a](C[5,5a]N[5a]N[5])(C[5a]N[5a]N)(N[5]C[5]){1|H<1>,2|N<2>}	104.5360	0.000	1	104.5360	0.000	1	104.5360	0.000	1	104.5360	0.000	1	107.4204	9.071	17	107.3354	3.663	73
727	542	813	5:SP2_SP2_SP2	C[5,5a]	N[5]	N[5,5a]	3:2:3:	3:3:3:	3:3:2:	N[5,5a]-3:N[5a]-2:N[5]-3:	C[5,5a]-3:C[5]-3:N-3:	C[5,5a]-3:C[5a]-3:N[5]-2:	C[5,5a](N[5,5a]C[5a]N[5])(N[5a]N[5a])(N[5]C[5]N)	N[5](C[5,5a]N[5,5a]N[5a])(C[5]N[5]H)(NHH)	N[5,5a](C[5,5a]N[5a]N[5])(C[5a]N[5a]N)(N[5]C[5])	C[5,5a](N[5,5a]C[5a]N[5])(N[5a]N[5a])(N[5]C[5]N){1|N<3>,2|H<1>}	N[5](C[5,5a]N[5,5a]N[5a])(C[5]N[5]H)(NHH){1|C<3>,1|N<3>}	N[5,5a](C[5,5a]N[5a]N[5])(C[5a]N[5a]N)(N[5]C[5]){1|N<3>,2|H<1>}	104.2760	0.774	2	104.2760	0.598	2	104.6812	0.371	5	104.6812	0.371	5	107.4204	9.071	17	107.3354	3.663	73
727	542	813	5:SP2_SP2_SP2	C[5,5a]	N[5]	N[5,5a]	3:2:3:	3:3:3:	3:3:2:	N[5,5a]-3:N[5a]-2:N[5]-3:	C[5,5a]-3:C[5]-3:N-3:	C[5,5a]-3:C[5a]-3:N[5]-2:	C[5,5a](N[5,5a]C[5a]N[5])(N[5a]N[5a])(N[5]C[5]N)	N[5](C[5,5a]N[5,5a]N[5a])(C[5]N[5]N)(NHH)	N[5,5a](C[5,5a]N[5a]N[5])(C[5a]N[5a]N)(N[5]C[5])	C[5,5a](N[5,5a]C[5a]N[5])(N[5a]N[5a])(N[5]C[5]N){1|H<1>,2|N<3>}	N[5](C[5,5a]N[5,5a]N[5a])(C[5]N[5]N)(NHH){1|C<3>,1|N<3>}	N[5,5a](C[5,5a]N[5a]N[5])(C[5a]N[5a]N)(N[5]C[5]){1|H<1>,2|N<3>}	104.9513	0.411	3	104.9513	0.169	3	104.6812	0.371	5	104.6812	0.371	5	107.4204	9.071	17	107.3354	3.663	73
727	542	813	5:SP2_SP2_SP2	C[5,5a]	N[5]	N[5,5a]	3:2:3:	3:4:1:	3:4:2:	N[5,5a]-3:N[5a]-2:N[5]-3:	C[5,5a]-3:C[5]-4:H-1:	C[5,5a]-3:C[5]-4:N[5a]-2:	C[5,5a](N[5,5a]N[5a]C[5])(N[5a]N[5a])(N[5]C[5]H)	N[5](C[5,5a]N[5,5a]N[5a])(C[5]C[5]HH)(H)	N[5,5a](C[5,5a]N[5a]N[5])(C[5]C[5]HH)(N[5a]N[5a])	C[5,5a](N[5,5a]N[5a]C[5])(N[5a]N[5a])(N[5]C[5]H){4|H<1>}	N[5](C[5,5a]N[5,5a]N[5a])(C[5]C[5]HH)(H){2|H<1>,2|N<2>}	N[5,5a](C[5,5a]N[5a]N[5])(C[5]C[5]HH)(N[5a]N[5a]){3|H<1>}	111.2870	0.000	1	111.2870	0.000	1	111.2870	0.000	1	111.2870	0.000	1	107.4204	9.071	17	107.3354	3.663	73
727	542	813	5:SP2_SP2_SP2	C[5,5a]	N[5]	N[5,5a]	3:2:3:	3:4:2:	3:4:2:	N[5,5a]-3:N[5a]-2:N[5]-3:	C[5,5a]-3:C[5]-4:N-2:	C[5,5a]-3:C[5]-4:N[5a]-2:	C[5,5a](N[5,5a]N[5a]C[5])(N[5a]N[5a])(N[5]C[5]N)	N[5](C[5,5a]N[5,5a]N[5a])(C[5]C[5]HH)(NO)	N[5,5a](C[5,5a]N[5a]N[5])(C[5]C[5]HH)(N[5a]N[5a])	C[5,5a](N[5,5a]N[5a]C[5])(N[5a]N[5a])(N[5]C[5]N){4|H<1>}	N[5](C[5,5a]N[5,5a]N[5a])(C[5]C[5]HH)(NO){2|H<1>,2|N<2>}	N[5,5a](C[5,5a]N[5a]N[5])(C[5]C[5]HH)(N[5a]N[5a]){1|N<2>,2|H<1>}	109.1620	0.000	1	109.1620	0.000	1	109.1620	0.000	1	109.1620	0.000	1	107.4204	9.071	17	107.3354	3.663	73
727	542	813	5:SP2_SP2_SP2	C[5,5a]	N[5]	N[5,5a]	3:2:3:	3:4:4:	3:3:4:	N[5,5a]-3:N[5a]-2:N[5]-3:	C[5,5a]-3:C[5]-4:S-4:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(N[5]C[5]S)	N[5](C[5,5a]N[5,5a]N[5a])(C[5]C[5]CH)(SC[6a]OO)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]N[5])(C[5]C[5]HH)	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(N[5]C[5]S){1|C<4>,2|C<3>,3|H<1>}	N[5](C[5,5a]N[5,5a]N[5a])(C[5]C[5]CH)(SC[6a]OO){2|C<3>,2|H<1>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]N[5])(C[5]C[5]HH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	109.0990	0.000	1	109.0990	0.000	1	109.0990	0.000	1	109.0990	0.000	1	107.4204	9.071	17	107.3354	3.663	73
727	542	813	5:SP2_SP2_SP2	C[5,5a]	N[5]	N[5,5a]	3:3:2:	3:3:2:	3:3:3:	N[5,5a]-3:N[5]-3:N[5a]-2:	C[5,5a]-3:C[6a]-3:S[5]-2:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5]C[6a]S[5])(N[5a]C[5a,6a])	N[5](C[5,5a]N[5,5a]N[5a])(C[6a]C[6a]2)(S[5]C[5])	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]N[5])(C[5]S[5]N)	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5]C[6a]S[5])(N[5a]C[5a,6a]){1|N<2>,4|C<3>}	N[5](C[5,5a]N[5,5a]N[5a])(C[6a]C[6a]2)(S[5]C[5]){1|N<2>,2|H<1>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]N[5])(C[5]S[5]N){1|H<1>,3|C<3>}	111.4870	0.000	1	111.4870	0.000	1	111.4870	0.000	1	111.4870	0.000	1	107.4204	9.071	17	107.3354	3.663	73
727	542	813	5:SP2_SP2_SP2	C[5,5a]	N[5]	N[5,5a]	3:3:3:	3:3:1:	3:3:2:	N[5,5a]-3:N[5a]-3:N[5]-3:	C[5,5a]-3:C[5]-3:H-1:	C[5,5a]-3:C[5a]-3:N[5]-2:	C[5,5a](N[5,5a]C[5a]N[5])(N[5a]N[5a]H)(N[5]C[5]H)	N[5](C[5,5a]N[5,5a]N[5a])(C[5]N[5]C)(H)	N[5,5a](C[5,5a]N[5a]N[5])(C[5a]C[6a]N[5a])(N[5]C[5])	C[5,5a](N[5,5a]C[5a]N[5])(N[5a]N[5a]H)(N[5]C[5]H){1|C<3>,1|C<4>}	N[5](C[5,5a]N[5,5a]N[5a])(C[5]N[5]C)(H){1|C<3>,1|H<1>,1|N<2>}	N[5,5a](C[5,5a]N[5a]N[5])(C[5a]C[6a]N[5a])(N[5]C[5]){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	107.6400	0.000	1	107.6400	0.000	1	107.6400	0.000	1	107.6400	0.000	1	107.4204	9.071	17	107.3354	3.663	73
727	542	813	5:SP2_SP2_SP2	C[5,5a]	N[5]	N[5,5a]	3:3:3:	3:4:4:	3:2:4:	C[5a,6a]-3:N[5,5a]-3:N[5]-3:	C[5,5a]-3:C[5]-4:C-4:	C[5,5a]-3:N[5a]-2:C[5]-4:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(N[5,5a]N[5a]C[5])(N[5]C[5]C)	N[5](C[5,5a]C[5a,6a]N[5,5a])(C[5]C[5]HH)(CCHH)	N[5,5a](C[5,5a]C[5a,6a]N[5])(N[5a]C[5a,6a])(C[5]C[5]HH)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(N[5,5a]N[5a]C[5])(N[5]C[5]C){2|C<3>,5|H<1>}	N[5](C[5,5a]C[5a,6a]N[5,5a])(C[5]C[5]HH)(CCHH){1|N<2>,2|C<3>,2|H<1>}	N[5,5a](C[5,5a]C[5a,6a]N[5])(N[5a]C[5a,6a])(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	111.6290	0.320	2	111.6290	0.102	2	111.6290	0.102	2	111.6290	0.102	2	107.4204	9.071	17	107.3354	3.663	73
727	542	813	5:SP2_SP2_SP2	C[5,5a]	N[5]	N[5,5a]	3:4:3:	3:3:4:	3:3:3:	N[5,5a]-3:B[5a]-4:N[5]-3:	C[5,5a]-3:C[5]-3:C-4:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a](N[5,5a]C[5a,6a]C[5])(B[5a]N[5a,6a]CC)(N[5]C[5]C)	N[5](C[5,5a]N[5,5a]B[5a])(C[5]C[5]H)(CC[6a]HH)	N[5,5a](C[5a,6a]N[5a,6a]C[6a])(C[5,5a]B[5a]N[5])(C[5]C[5]H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(B[5a]N[5a,6a]CC)(N[5]C[5]C){2|C<3>,2|H<1>}	N[5](C[5,5a]N[5,5a]B[5a])(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[5,5a](C[5a,6a]N[5a,6a]C[6a])(C[5,5a]B[5a]N[5])(C[5]C[5]H){2|C<3>,2|H<1>,3|C<4>}	105.0630	0.421	2	105.0630	0.178	2	105.0630	0.178	2	105.0630	0.178	2	107.4204	9.071	17	107.3354	3.663	73
727	542	813	5:SP2_SP2_SP2	C[5,5a]	N[5]	N[5,5a]	4:3:3:	3:4:4:	3:3:4:	B[5a]-4:N[5,5a]-3:N[5]-3:	C[5,5a]-3:C[3x6]-4:C[5]-4:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a](B[5a]C[6a]N[5a]F)(N[5,5a]C[5a]C[5])(N[5]C[3x6]C[5])	N[5](C[5,5a]N[5,5a]B[5a])(C[3x6]C[6,6]3)(C[5]C[5]HH)	N[5,5a](C[5,5a]B[5a]N[5])(C[5a]N[5a]C)(C[5]C[5]HH)	C[5,5a](B[5a]C[6a]N[5a]F)(N[5,5a]C[5a]C[5])(N[5]C[3x6]C[5]){3|C<3>,4|C<4>,4|H<1>}	N[5](C[5,5a]N[5,5a]B[5a])(C[3x6]C[6,6]3)(C[5]C[5]HH){1|F<1>,1|N<3>,2|C<3>,3|C<4>,8|H<1>}	N[5,5a](C[5,5a]B[5a]N[5])(C[5a]N[5a]C)(C[5]C[5]HH){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	110.5990	0.000	1	110.5990	0.000	1	110.5990	0.000	1	110.5990	0.000	1	107.4204	9.071	17	107.3354	3.663	73
727	542	813	5:SP2_SP2_SP2	C[5,6a,6a]	N[5]	N[5,6a,6a]	4:3:3:	3:3:4:	4:3:3:	B[3x6a]-4:N[5,6a,6a]-3:N[5]-3:	C[5,6a,6a]-3:C[5]-3:C-4:	B[3x6a]-4:C[5,6a,6a]-3:C[5]-3:	C[5,6a,6a](B[3x6a]N[5a,6a,6a]2C[6a])(N[5,6a,6a]B[3x6a]C[5])(N[5]C[5]C)	N[5](C[5,6a,6a]N[5,6a,6a]B[3x6a])(C[5]C[5]H)(CH3)	N[5,6a,6a](B[3x6a]C[5a,6a,6a]2C[6a])(C[5,6a,6a]B[3x6a]N[5])(C[5]C[5]H)	C[5,6a,6a](B[3x6a]N[5a,6a,6a]2C[6a])(N[5,6a,6a]B[3x6a]C[5])(N[5]C[5]C){2|H<1>,7|C<3>}	N[5](C[5,6a,6a]N[5,6a,6a]B[3x6a])(C[5]C[5]H)(CH3){1|B<4>,1|C<3>,1|H<1>,2|N<3>}	N[5,6a,6a](B[3x6a]C[5a,6a,6a]2C[6a])(C[5,6a,6a]B[3x6a]N[5])(C[5]C[5]H){1|C<4>,1|H<1>,3|N<3>,4|C<3>}	106.5370	0.000	1	106.5370	0.000	1	106.6000	0.008	2	106.6000	0.008	2	106.6000	0.008	2	107.3354	3.663	73
727	542	813	5:SP2_SP2_SP2	C[5,6a,6a]	N[5]	N[5,6a,6a]	4:3:3:	3:3:4:	4:3:3:	B[3x6a]-4:N[5,6a,6a]-3:N[5]-3:	C[5,6a,6a]-3:C[5]-3:C-4:	B[3x6a]-4:C[5,6a,6a]-3:C[5]-3:	C[5,6a,6a](B[3x6a]N[5a,6a,6a]N[6a,6a]C[6a])(N[5,6a,6a]B[3x6a]C[5])(N[5]C[5]C)	N[5](C[5,6a,6a]N[5,6a,6a]B[3x6a])(C[5]C[5]H)(CH3)	N[5,6a,6a](B[3x6a]C[5a,6a,6a]C[6a,6a]C[6a])(C[5,6a,6a]B[3x6a]N[5])(C[5]C[5]H)	C[5,6a,6a](B[3x6a]N[5a,6a,6a]N[6a,6a]C[6a])(N[5,6a,6a]B[3x6a]C[5])(N[5]C[5]C){2|H<1>,7|C<3>}	N[5](C[5,6a,6a]N[5,6a,6a]B[3x6a])(C[5]C[5]H)(CH3){1|B<4>,1|C<3>,1|H<1>,2|N<3>}	N[5,6a,6a](B[3x6a]C[5a,6a,6a]C[6a,6a]C[6a])(C[5,6a,6a]B[3x6a]N[5])(C[5]C[5]H){1|C<2>,1|C<4>,1|H<1>,3|C<3>,3|N<3>}	106.6630	0.000	1	106.6630	0.000	1	106.6000	0.008	2	106.6000	0.008	2	106.6000	0.008	2	107.3354	3.663	73
727	542	813	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	N[5,6a]	3:3:2:	3:4:3:	3:3:2:	N[5,6]-3:N[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6]-4:C[5,6]-3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](N[5,6]C[5,6]C[6])(N[5,6a]C[6a]N[5])(N[6a]C[6a])	N[5,6](C[5,6a]N[5,6a]N[6a])(C[6]C[6,6]C[6a]H)(C[5,6]N[5]N[6])	N[5,6a](C[5,6a]N[5,6]N[6a])(C[6a]C[6a]C)(N[5]C[5,6])	C[5,6a](N[5,6]C[5,6]C[6])(N[5,6a]C[6a]N[5])(N[6a]C[6a]){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	N[5,6](C[5,6a]N[5,6a]N[6a])(C[6]C[6,6]C[6a]H)(C[5,6]N[5]N[6]){1|H<1>,6|C<3>}	N[5,6a](C[5,6a]N[5,6]N[6a])(C[6a]C[6a]C)(N[5]C[5,6]){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	106.1090	0.000	1	106.1090	0.000	1	106.1090	0.000	1	106.1090	0.000	1	107.2587	1.236	4	107.3354	3.663	73
727	542	813	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	N[5,6a]	3:3:3:	3:3:4:	3:3:3:	N[5,6]-3:N[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](N[5,6]C[5,6]B[6])(N[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,6](C[5,6a]N[5,6a]C[6a])(C[5,6]C[5a,6]C[5])(B[6]O[6]FF)	N[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H)	C[5,6a](N[5,6]C[5,6]B[6])(N[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|F<1>,3|H<1>}	N[5,6](C[5,6a]N[5,6a]C[6a])(C[5,6]C[5a,6]C[5])(B[6]O[6]FF){1|N<3>,2|H<1>,3|C<3>}	N[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	108.2105	0.077	2	108.2105	0.006	2	108.2105	0.006	2	107.6420	0.973	3	107.2587	1.236	4	107.3354	3.663	73
727	542	813	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	N[5,6a]	3:3:3:	3:3:4:	3:3:3:	N[5,6]-3:N[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](N[5,6]C[5,6]C[6])(N[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,6](C[5,6a]N[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6]C[6]HH)	N[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]N)(C[6a]C[6a]H)	C[5,6a](N[5,6]C[5,6]C[6])(N[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	N[5,6](C[5,6a]N[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6]C[6]HH){1|N<2>,3|H<1>,4|C<3>}	N[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]N)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	106.5050	0.000	1	106.5050	0.000	1	106.5050	0.000	1	107.6420	0.973	3	107.2587	1.236	4	107.3354	3.663	73
727	542	813	5:SP2_SP2_SP2	C[5,6a]	N[5]	N[5,6a]	3:2:3:	3:3:1:	3:3:2:	N[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](N[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	N[5](C[5,6a]N[5,6a]N[6a])(C[5]N[5]H)(H)	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]C)(N[5]C[5])	C[5,6a](N[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|C<3>,1|H<1>,2|C<4>}	N[5](C[5,6a]N[5,6a]N[6a])(C[5]N[5]H)(H){2|C<3>}	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]C)(N[5]C[5]){1|C<3>,3|H<1>}	105.5560	0.165	5	105.5560	0.027	5	105.5366	0.140	7	105.5366	0.140	7	107.2950	2.254	49	107.3354	3.663	73
727	542	813	5:SP2_SP2_SP2	C[5,6a]	N[5]	N[5,6a]	3:2:3:	3:3:1:	3:3:2:	N[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](N[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	N[5](C[5,6a]N[5,6a]N[6a])(C[5]N[5]H)(H)	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](N[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|C<3>,3|H<1>}	N[5](C[5,6a]N[5,6a]N[6a])(C[5]N[5]H)(H){2|C<3>}	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,3|H<1>}	105.4880	0.850	2	105.4880	0.722	2	105.5366	0.140	7	105.5366	0.140	7	107.2950	2.254	49	107.3354	3.663	73
727	542	813	5:SP2_SP2_SP2	C[5,6a]	N[5]	N[5,6a]	3:2:3:	3:3:1:	3:3:3:	N[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]H)	N[5](C[5,6a]N[5,6a]N[6a])(C[5]C[6a]C[5])(H)	N[5,6a](C[5,6a]N[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]H){1|C<4>,1|H<1>,3|C<3>}	N[5](C[5,6a]N[5,6a]N[6a])(C[5]C[6a]C[5])(H){5|C<3>}	N[5,6a](C[5,6a]N[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H){2|H<1>,4|C<3>}	107.5380	0.000	1	107.5380	0.000	1	107.5380	0.000	1	107.5380	0.000	1	107.2950	2.254	49	107.3354	3.663	73
727	542	813	5:SP2_SP2_SP2	C[5,6a]	N[5]	N[5,6a]	3:2:3:	3:4:1:	3:3:4:	N[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[5a,6a])(N[5]C[5]H)	N[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HO)(H)	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5a,6a]O)(C[5]C[5]HO)	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[5a,6a])(N[5]C[5]H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,2|O<2>}	N[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HO)(H){1|H<1>,1|O<2>,2|C<3>}	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5a,6a]O)(C[5]C[5]HO){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	109.2490	0.000	1	109.2490	0.000	1	109.2490	0.000	1	109.2490	0.000	1	107.2950	2.254	49	107.3354	3.663	73
727	542	813	5:SP2_SP2_SP2	C[5,6a]	N[5]	N[5,6a]	3:2:3:	3:4:4:	3:3:3:	N[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]S)	N[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH)(SCOO)	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(C[5]C[5]C)	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]S){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH)(SCOO){3|C<3>}	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(C[5]C[5]C){1|C<3>,1|S<4>,2|H<1>}	108.7210	0.205	2	108.7210	0.042	2	108.7210	0.042	2	108.7210	0.042	2	107.2950	2.254	49	107.3354	3.663	73
727	542	813	5:SP2_SP2_SP2	C[5,6a]	N[5]	N[5,6a]	3:3:2:	3:3:3:	3:3:4:	N[5,6a]-3:N[5]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](N[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[5a,6a])	N[5](C[5,6a]N[5,6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]O)	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5a,6a]O)(C[5]C[5]CH)	C[5,6a](N[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[5a,6a]){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	N[5](C[5,6a]N[5,6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,3|H<1>,4|C<3>}	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5a,6a]O)(C[5]C[5]CH){1|O<1>,1|O<2>,2|C<3>}	108.3900	0.000	1	108.2300	0.051	2	108.2300	0.051	2	108.2300	0.051	2	107.2950	2.254	49	107.3354	3.663	73
727	542	813	5:SP2_SP2_SP2	C[5,6a]	N[5]	N[5,6a]	3:3:2:	3:3:3:	3:3:4:	N[5,6a]-3:N[5]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](N[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[5a,6a])	N[5](C[5,6a]N[5,6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]O)	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5a,6a]O)(C[5]C[5]CH)	C[5,6a](N[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[5a,6a]){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	N[5](C[5,6a]N[5,6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,3|H<1>,4|C<3>}	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5a,6a]O)(C[5]C[5]CH){1|O<1>,1|S<2>,2|C<3>}	108.0700	0.000	1	108.2300	0.051	2	108.2300	0.051	2	108.2300	0.051	2	107.2950	2.254	49	107.3354	3.663	73
727	542	813	5:SP2_SP2_SP2	C[5,6a]	N[5]	N[5,6a]	3:3:2:	3:3:4:	3:3:3:	N[5,6a]-3:N[5]-3:N[6a]-2:	C[5,6a]-3:C[5,6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](N[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]C)(N[6a]C[6a])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(CCHH)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]N[5])(C[6a]C[6a]N)	C[5,6a](N[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]C)(N[6a]C[6a]){1|N<2>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(CCHH){1|H<1>,4|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]N[5])(C[6a]C[6a]N){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	108.3480	0.000	1	108.3480	0.000	1	108.3545	0.000	2	108.3545	0.000	2	107.2950	2.254	49	107.3354	3.663	73
727	542	813	5:SP2_SP2_SP2	C[5,6a]	N[5]	N[5,6a]	3:3:2:	3:3:4:	3:3:3:	N[5,6a]-3:N[5]-3:N[6a]-2:	C[5,6a]-3:C[5,6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](N[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]C)(N[6a]C[6a])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(CC[6a]HH)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]N[5])(C[6a]C[6a]O)	C[5,6a](N[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]C)(N[6a]C[6a]){1|C<4>,1|O<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(CC[6a]HH){1|H<1>,4|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]N[5])(C[6a]C[6a]O){1|C<4>,2|H<1>,3|C<3>}	108.3610	0.000	1	108.3610	0.000	1	108.3545	0.000	2	108.3545	0.000	2	107.2950	2.254	49	107.3354	3.663	73
727	542	813	5:SP2_SP2_SP2	C[5,6a]	N[5]	N[5,6a]	3:3:2:	3:3:4:	3:3:4:	N[5,6a]-3:N[5]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](N[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[6a])	N[5](C[5,6a]N[5,6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]HH)	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5,6a](N[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[6a]){1|O<1>,1|O<2>,3|C<3>,4|H<1>}	N[5](C[5,6a]N[5,6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]HH){1|O<2>,3|H<1>,4|C<3>}	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	109.0230	0.000	1	109.2520	0.105	2	109.2520	0.105	2	109.2520	0.105	2	107.2950	2.254	49	107.3354	3.663	73
727	542	813	5:SP2_SP2_SP2	C[5,6a]	N[5]	N[5,6a]	3:3:2:	3:3:4:	3:3:4:	N[5,6a]-3:N[5]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](N[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[6a])	N[5](C[5,6a]N[5,6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]HH)	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5,6a](N[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[6a]){1|O<1>,1|O<2>,3|C<3>,4|H<1>}	N[5](C[5,6a]N[5,6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]HH){4|C<3>,4|H<1>}	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	109.4810	0.000	1	109.2520	0.105	2	109.2520	0.105	2	109.2520	0.105	2	107.2950	2.254	49	107.3354	3.663	73
727	542	813	5:SP2_SP2_SP2	C[5,6a]	N[5]	N[5,6a]	3:3:2:	3:4:3:	4:3:3:	N[5,6a]-3:N[5]-3:N[6a]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](N[5,6a]C[5,5]C[6a])(N[5]C[5,5]C[6a])(N[6a]C[6a])	N[5](C[5,6a]N[5,6a]N[6a])(C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)	N[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]N[6a]N[5])(C[6a]C[6a]O)	C[5,6a](N[5,6a]C[5,5]C[6a])(N[5]C[5,5]C[6a])(N[6a]C[6a]){1|C<4>,1|O<1>,1|O<2>,1|S<2>,2|H<1>,3|C<3>}	N[5](C[5,6a]N[5,6a]N[6a])(C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2){2|C<4>,3|H<1>,4|C<3>}	N[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]N[6a]N[5])(C[6a]C[6a]O){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	108.9705	0.779	2	108.9705	0.606	2	108.9705	0.606	2	108.9705	0.606	2	107.2950	2.254	49	107.3354	3.663	73
727	542	813	5:SP2_SP2_SP2	C[5,6a]	N[5]	N[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:N[5,6a]-3:N[5]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[3x6a]C[6a])(N[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]H)	N[5](C[5,6a]C[6a,6a]N[5,6a])(C[5,6a]C[5,6a]C[6a])(H)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(C[6a]C[6a,6a]O)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(N[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]H){1|H<1>,1|O<1>,5|C<3>}	N[5](C[5,6a]C[6a,6a]N[5,6a])(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,5|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(C[6a]C[6a,6a]O){2|H<1>,5|C<3>}	108.1220	0.000	1	108.1220	0.000	1	108.1220	0.000	1	107.1155	0.335	11	107.2950	2.254	49	107.3354	3.663	73
727	542	813	5:SP2_SP2_SP2	C[5,6a]	N[5]	N[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]C)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,3|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	107.0980	0.000	1	107.0980	0.000	1	107.1870	0.037	3	107.1155	0.335	11	107.2950	2.254	49	107.3354	3.663	73
727	542	813	5:SP2_SP2_SP2	C[5,6a]	N[5]	N[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]H)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,3|H<1>}	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]H)(H){1|H<1>,3|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,4|H<1>}	107.0550	0.000	1	107.0550	0.000	1	107.1870	0.037	3	107.1155	0.335	11	107.2950	2.254	49	107.3354	3.663	73
727	542	813	5:SP2_SP2_SP2	C[5,6a]	N[5]	N[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){2|H<1>,3|C<3>}	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])(H){1|H<1>,5|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H){3|H<1>,4|C<3>}	107.4080	0.000	1	107.4080	0.000	1	107.1870	0.037	3	107.1155	0.335	11	107.2950	2.254	49	107.3354	3.663	73
727	542	813	5:SP2_SP2_SP2	C[5,6a]	N[5]	N[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]H)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,3|H<1>}	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,4|H<1>}	106.0820	0.000	1	106.0820	0.000	1	106.8487	0.335	6	107.1155	0.335	11	107.2950	2.254	49	107.3354	3.663	73
727	542	813	5:SP2_SP2_SP2	C[5,6a]	N[5]	N[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]H)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,4|H<1>}	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]H)(H){2|C<3>,2|H<1>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,4|H<1>}	106.9955	0.530	2	106.9955	0.281	2	106.8487	0.335	6	107.1155	0.335	11	107.2950	2.254	49	107.3354	3.663	73
727	542	813	5:SP2_SP2_SP2	C[5,6a]	N[5]	N[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5a]C[5])(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,3|H<1>}	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5a]C[5])(H){1|N<3>,2|H<1>,3|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H){2|C<3>,3|H<1>}	106.6895	0.296	2	106.6895	0.088	2	106.8487	0.335	6	107.1155	0.335	11	107.2950	2.254	49	107.3354	3.663	73
727	542	813	5:SP2_SP2_SP2	C[5,6a]	N[5]	N[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,3|H<1>}	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])(H){2|H<1>,4|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H){2|C<3>,3|H<1>}	107.6400	0.000	1	107.6400	0.000	1	106.8487	0.335	6	107.1155	0.335	11	107.2950	2.254	49	107.3354	3.663	73
727	542	813	5:SP2_SP2_SP2	C[5,6a]	N[5]	N[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])(O)	N[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O){2|H<1>,3|C<3>}	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])(O){1|H<1>,5|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,4|C<3>}	107.4950	0.000	1	107.4950	0.000	1	107.4950	0.000	1	107.1155	0.335	11	107.2950	2.254	49	107.3354	3.663	73
727	542	813	5:SP2_SP2_SP2	C[5,6a]	N[5]	N[5,6a]	3:3:3:	3:3:2:	3:3:3:	N[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](N[5,6a]C[6a]C[5])(N[5]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]N[6a])(N[5]C[5])	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[5,6a](N[5,6a]C[6a]C[5])(N[5]C[6a]N[5])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]N[6a])(N[5]C[5]){1|N<3>,2|H<1>,4|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]N){2|C<3>,2|H<1>}	105.1330	0.000	1	105.1330	0.000	1	105.1330	0.000	1	105.1330	0.000	1	107.2950	2.254	49	107.3354	3.663	73
727	542	813	5:SP2_SP2_SP2	C[5,6a]	N[5]	N[5,6a]	3:3:3:	3:3:3:	3:3:3:	N[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](N[5,6a]C[6a,6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C)	N[5](C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	N[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]H)	C[5,6a](N[5,6a]C[6a,6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5](C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,3|H<1>,4|C<3>}	N[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]H){1|C<4>,1|H<1>,4|C<3>}	105.7610	0.000	1	105.7610	0.000	1	105.7610	0.000	1	105.7610	0.000	1	107.2950	2.254	49	107.3354	3.663	73
727	542	813	5:SP2_SP2_SP2	C[5,6a]	N[5]	N[5,6a]	3:3:3:	3:3:4:	3:3:3:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]Pd)(CC[6a]HH)	N[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]Pd)(CC[6a]HH){1|H<1>,3|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|Pd<4>,1|C<4>,2|H<1>,3|C<3>}	107.1250	0.000	1	107.1250	0.000	1	107.1250	0.000	1	106.5047	0.660	12	107.2950	2.254	49	107.3354	3.663	73
727	542	813	5:SP2_SP2_SP2	C[5,6a]	N[5]	N[5,6a]	3:3:3:	3:3:4:	3:3:3:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]H)(CC[6a]HH)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C){3|H<1>,4|C<3>}	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]H)(CC[6a]HH){1|H<1>,3|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	105.6610	0.000	1	105.6610	0.000	1	106.8553	0.435	7	106.5047	0.660	12	107.2950	2.254	49	107.3354	3.663	73
727	542	813	5:SP2_SP2_SP2	C[5,6a]	N[5]	N[5,6a]	3:3:3:	3:3:4:	3:3:3:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]C)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]C)(CCHH)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]C)(CCHH){1|Cl<1>,1|H<1>,2|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Cl<1>,1|C<3>,3|C<4>}	106.8520	0.247	2	106.8520	0.061	2	106.8553	0.435	7	106.5047	0.660	12	107.2950	2.254	49	107.3354	3.663	73
727	542	813	5:SP2_SP2_SP2	C[5,6a]	N[5]	N[5,6a]	3:3:3:	3:3:4:	3:3:3:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]C)(CH3)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]C)(CH3){2|C<3>,2|H<1>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	107.3880	0.000	1	107.3880	0.000	1	106.8553	0.435	7	106.5047	0.660	12	107.2950	2.254	49	107.3354	3.663	73
727	542	813	5:SP2_SP2_SP2	C[5,6a]	N[5]	N[5,6a]	3:3:3:	3:3:4:	3:3:3:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]Rh)(CC[6a]HH)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Rh<6>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]Rh)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Rh<6>,1|C<3>,1|C<4>,2|H<1>}	106.4400	0.000	1	106.4400	0.000	1	106.8553	0.435	7	106.5047	0.660	12	107.2950	2.254	49	107.3354	3.663	73
727	542	813	5:SP2_SP2_SP2	C[5,6a]	N[5]	N[5,6a]	3:3:3:	3:3:4:	3:3:3:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])(CCHH)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]Pd)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])(CCHH){1|Pd<4>,1|H<1>,4|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]Pd){1|C<4>,2|C<3>,2|H<1>}	107.2000	0.000	1	107.3970	0.078	2	106.8553	0.435	7	106.5047	0.660	12	107.2950	2.254	49	107.3354	3.663	73
727	542	813	5:SP2_SP2_SP2	C[5,6a]	N[5]	N[5,6a]	3:3:3:	3:3:4:	3:3:3:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])(CCHH)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]Pd)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])(CCHH){1|Pd<4>,1|H<1>,4|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]Pd){1|H<1>,2|C<3>,2|C<4>}	107.5940	0.000	1	107.3970	0.078	2	106.8553	0.435	7	106.5047	0.660	12	107.2950	2.254	49	107.3354	3.663	73
727	542	813	5:SP2_SP2_SP2	C[5,6a]	N[5]	N[5,6a]	3:3:3:	3:3:4:	3:3:3:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[6,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](N[5,6a]C[6,6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]H)(CH3)	N[5,6a](C[6,6a]C[6,6a]N[6])(C[5,6a]C[6a]N[5])(C[5]C[5]Pd)	C[5,6a](N[5,6a]C[6,6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Pd<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]H)(CH3){1|Pd<4>,3|C<3>}	N[5,6a](C[6,6a]C[6,6a]N[6])(C[5,6a]C[6a]N[5])(C[5]C[5]Pd){1|C<4>,1|H<1>,4|C<3>}	105.2570	0.270	2	105.2570	0.073	2	105.2570	0.073	2	106.5047	0.660	12	107.2950	2.254	49	107.3354	3.663	73
727	542	813	5:SP2_SP2_SP2	C[5,6a]	N[5]	N[5,6a]	3:3:3:	3:3:4:	3:3:3:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](N[5,6a]C[6a,6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]H)(CC[6a]HH)	N[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]H)	C[5,6a](N[5,6a]C[6a,6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C){1|N<2>,3|C<3>,3|H<1>}	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]H)(CC[6a]HH){1|H<1>,3|C<3>}	N[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]H){1|C<4>,1|H<1>,4|C<3>}	106.0570	0.000	1	106.0570	0.000	1	106.2150	0.050	2	106.5047	0.660	12	107.2950	2.254	49	107.3354	3.663	73
727	542	813	5:SP2_SP2_SP2	C[5,6a]	N[5]	N[5,6a]	3:3:3:	3:3:4:	3:3:3:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](N[5,6a]C[6a,6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]H)(CH3)	N[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]Pd)	C[5,6a](N[5,6a]C[6a,6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Pd<4>,1|N<2>,2|H<1>,3|C<3>}	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]H)(CH3){1|Pd<4>,3|C<3>}	N[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]Pd){1|C<4>,1|H<1>,4|C<3>}	106.3730	0.000	1	106.3730	0.000	1	106.2150	0.050	2	106.5047	0.660	12	107.2950	2.254	49	107.3354	3.663	73
727	542	813	5:SP2_SP2_SP2	C[5,6a]	N[5]	N[5,6a]	3:3:3:	3:3:4:	3:3:4:	N[5,6a]-3:N[5]-3:N[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](N[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[6a]2)	N[5](C[5,6a]N[5,6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]HH)	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5,6a](N[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[6a]2){2|O<1>,4|H<1>,5|C<3>}	N[5](C[5,6a]N[5,6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]HH){4|H<1>,5|C<3>}	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]HH){2|H<1>,4|C<3>}	111.7590	0.000	1	111.7590	0.000	1	111.7590	0.000	1	111.7590	0.000	1	107.2950	2.254	49	107.3354	3.663	73
727	542	813	5:SP2_SP2_SP2	C[5,6a]	N[5]	N[5,6a]	3:3:3:	3:4:1:	3:3:4:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(H){2|H<1>,3|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]HH){2|C<3>,4|H<1>}	109.2880	0.000	1	109.2880	0.000	1	109.0715	0.094	2	109.0715	0.094	2	107.2950	2.254	49	107.3354	3.663	73
727	542	813	5:SP2_SP2_SP2	C[5,6a]	N[5]	N[5,6a]	3:3:3:	3:4:1:	3:3:4:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]N[6a]O)(C[5]C[5]HH)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H){1|N<3>,2|O<1>,4|H<1>}	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(H){2|H<1>,3|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]N[6a]O)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	108.8550	0.000	1	108.8550	0.000	1	109.0715	0.094	2	109.0715	0.094	2	107.2950	2.254	49	107.3354	3.663	73
727	542	813	5:SP2_SP2_SP2	C[5,6a]	N[5]	N[5,6a]	3:3:3:	3:4:3:	3:3:4:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(COO)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]CH)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(COO){1|C<4>,2|C<3>,2|H<1>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]CH){2|C<3>,4|H<1>}	107.6510	0.000	1	107.6510	0.000	1	107.6510	0.000	1	107.6510	0.000	1	107.2950	2.254	49	107.3354	3.663	73
727	542	813	5:SP2_SP2_SP2	C[5,6a]	N[5]	N[5,6a]	3:3:3:	3:4:4:	3:3:3:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(CH3)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]C)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C){1|O<1>,2|C<3>,3|H<1>}	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(CH3){1|C<2>,3|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]C){1|C<3>,1|C<4>,2|C<2>,2|H<1>}	110.0820	0.000	1	110.0820	0.000	1	110.0820	0.000	1	110.0820	0.000	1	107.2950	2.254	49	107.3354	3.663	73
727	542	813	5:SP2_SP2_SP3	C[5,5a]	N[5]	N[5,5a]	3:2:3:	3:4:4:	3:3:4:	N[5,5a]-3:N[5a]-2:N[5]-3:	C[5,5a]-3:C[5]-4:S-4:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(N[5]C[5]S)	N[5](C[5,5a]N[5,5a]N[5a])(C[5]C[5]HH)(SC[6a]OO)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]N[5])(C[5]C[6a]C[5]H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(N[5]C[5]S){3|C<3>,3|H<1>}	N[5](C[5,5a]N[5,5a]N[5a])(C[5]C[5]HH)(SC[6a]OO){1|H<1>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]N[5])(C[5]C[6a]C[5]H){1|S<4>,3|H<1>,4|C<3>}	107.8490	0.000	1	107.8490	0.000	1	107.8490	0.000	1	107.8490	0.000	1	108.0210	0.577	6	108.3239	1.123	7
727	542	813	5:SP2_SP2_SP3	C[5,5a]	N[5]	N[5,5a]	3:3:3:	3:4:4:	3:3:4:	N[5,5a]-3:C[5a]-3:N[5]-3:	C[5,5a]-3:C[5]-4:S-4:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(N[5]C[5]S)	N[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(SC[6a]OO)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]N[5])(C[5]C[6a]C[5]H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(N[5]C[5]S){3|C<3>,3|H<1>}	N[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(SC[6a]OO){2|H<1>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]N[5])(C[5]C[6a]C[5]H){1|S<4>,4|C<3>,4|H<1>}	108.5480	0.715	3	108.5480	0.512	3	108.5480	0.512	3	108.0554	0.712	5	108.0210	0.577	6	108.3239	1.123	7
727	542	813	5:SP2_SP2_SP3	C[5,5a]	N[5]	N[5,5a]	3:3:3:	3:4:4:	3:3:4:	N[5,5a]-3:N[5]-3:Ge[5a]-3:	C[5,5a]-3:C[3x6]-4:C[5]-4:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a]C[5])(N[5]C[3x6]C[5])(Ge[5a]N[5a]Cr)	N[5](C[5,5a]N[5,5a]Ge[5a])(C[3x6]C[6,6]3)(C[5]C[5]HH)	N[5,5a](C[5,5a]Ge[5a]N[5])(C[5a]N[5a]C)(C[5]C[5]HH)	C[5,5a](N[5,5a]C[5a]C[5])(N[5]C[3x6]C[5])(Ge[5a]N[5a]Cr){1|C<3>,4|C<4>,4|H<1>}	N[5](C[5,5a]N[5,5a]Ge[5a])(C[3x6]C[6,6]3)(C[5]C[5]HH){1|Cr<6>,1|C<3>,1|N<3>,3|C<4>,8|H<1>}	N[5,5a](C[5,5a]Ge[5a]N[5])(C[5a]N[5a]C)(C[5]C[5]HH){1|Cr<6>,1|C<3>,1|C<4>,2|H<1>}	107.3670	0.000	1	107.3670	0.000	1	107.3165	0.005	2	108.0554	0.712	5	108.0210	0.577	6	108.3239	1.123	7
727	542	813	5:SP2_SP2_SP3	C[5,5a]	N[5]	N[5,5a]	3:3:3:	3:4:4:	3:3:4:	N[5,5a]-3:N[5]-3:Ge[5a]-3:	C[5,5a]-3:C[3x6]-4:C[5]-4:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a]C[5])(N[5]C[3x6]C[5])(Ge[5a]N[5a]Mo)	N[5](C[5,5a]N[5,5a]Ge[5a])(C[3x6]C[6,6]3)(C[5]C[5]HH)	N[5,5a](C[5,5a]Ge[5a]N[5])(C[5a]N[5a]C)(C[5]C[5]HH)	C[5,5a](N[5,5a]C[5a]C[5])(N[5]C[3x6]C[5])(Ge[5a]N[5a]Mo){1|C<3>,4|C<4>,4|H<1>}	N[5](C[5,5a]N[5,5a]Ge[5a])(C[3x6]C[6,6]3)(C[5]C[5]HH){1|Mo<6>,1|C<3>,1|N<3>,3|C<4>,8|H<1>}	N[5,5a](C[5,5a]Ge[5a]N[5])(C[5a]N[5a]C)(C[5]C[5]HH){1|Mo<6>,1|C<3>,1|C<4>,2|H<1>}	107.2660	0.000	1	107.2660	0.000	1	107.3165	0.005	2	108.0554	0.712	5	108.0210	0.577	6	108.3239	1.123	7
727	542	813	5:SP2_SP2_SP3	C[5,6a]	N[5]	N[5,6a]	3:3:3:	3:4:4:	3:3:4:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]N)(N[5]C[5]C)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(CH3)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]N)(N[5]C[5]C){1|O<1>,2|C<3>,4|H<1>}	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(CH3){1|N<3>,2|C<3>,2|H<1>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	110.1410	0.000	1	110.1410	0.000	1	110.1410	0.000	1	110.1410	0.000	1	110.1410	0.000	1	108.3239	1.123	7
727	542	813	6:SP2_SP2_SP2	C[5a,6]	N[5,6]	N[5a,6]	3:3:2:	3:3:3:	3:3:3:	N[5a,6]-3:N[5,6]-3:N[5a]-2:	C[5a,6]-3:C[5,6]-3:C[5]-3:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(N[5a]C[5a])	N[5,6](C[5a,6]N[5a,6]N[5a])(C[5,6]N[5a,6]N[5])(C[5]C[5]H)	N[5a,6](C[5a,6]N[5a,6]N[5a])(C[5a,6]N[5,6]N[5a])(C[5a]C[5a]C[6a])	C[5a,6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	N[5,6](C[5a,6]N[5a,6]N[5a])(C[5,6]N[5a,6]N[5])(C[5]C[5]H){1|Cu<5>,1|H<1>,4|C<3>}	N[5a,6](C[5a,6]N[5a,6]N[5a])(C[5a,6]N[5,6]N[5a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	118.0060	0.000	1	118.0060	0.000	1	118.0060	0.000	1	118.0060	0.000	1	117.8510	0.123	4	117.8510	0.123	4
727	542	813	6:SP2_SP2_SP2	C[5a,6]	N[5,6]	N[5a,6]	3:3:2:	3:3:4:	3:3:4:	N[5,6]-3:N[5a,6]-3:N[5a]-2:	C[5,6,6a]-3:C[5a,6]-3:C[5]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](N[5,6]C[5,6,6a]C[5])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5a,6]N[5a,6]N[5a])(C[5]C[5]HH)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5,6]N[5a])(C[6]C[6,6a]C[6a]C)	C[5a,6](N[5,6]C[5,6,6a]C[5])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|C<4>,2|H<1>,6|C<3>}	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5a,6]N[5a,6]N[5a])(C[5]C[5]HH){1|C<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5,6]N[5a])(C[6]C[6,6a]C[6a]C){1|C<4>,1|H<1>,6|C<3>}	118.2540	0.000	1	118.2540	0.000	1	118.2540	0.000	1	118.2540	0.000	1	117.8510	0.123	4	117.8510	0.123	4
727	542	813	6:SP2_SP2_SP2	C[5a,6]	N[5,6]	N[5a,6]	3:3:3:	3:3:4:	3:3:3:	N[5a,6]-3:N[5,6]-3:C[5a]-3:	C[5a,6]-3:C[5,6]-3:C[5]-4:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[6,6a]C[5a])(N[5,6]C[5,6]C[5])(C[5a]C[5a]N[5a])	N[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[6,6a]N[5])(C[5]C[5]HH)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5,6]C[5a])(C[5a]N[5a]H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(N[5,6]C[5,6]C[5])(C[5a]C[5a]N[5a]){1|C<4>,1|O<2>,2|C<3>,2|N<2>,3|H<1>}	N[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[6,6a]N[5])(C[5]C[5]HH){1|N<2>,2|H<1>,4|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5,6]C[5a])(C[5a]N[5a]H){1|C<4>,1|H<1>,4|C<3>}	117.5720	0.167	2	117.5720	0.028	2	117.5720	0.028	2	117.5720	0.028	2	117.8510	0.123	4	117.8510	0.123	4
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5,5]	C[6a,6a]	3:4:3:	3:3:2:2:	3:3:3:	C[6a,6a]-3:Si[5,5]-4:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(Si[5,5]C[5,6a]O[5]2)(C[5,6a]C[6a]C[5])	Si[5,5](C[5,6a]C[6a,6a]C[5,6a])2(O[5]C[5])2	C[6a,6a](C[5,6a]C[5,6a]Si[5,5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(Si[5,5]C[5,6a]O[5]2)(C[5,6a]C[6a]C[5]){2|H<1>,3|C<4>,5|C<3>}	Si[5,5](C[5,6a]C[6a,6a]C[5,6a])2(O[5]C[5])2{4|C<4>,6|C<3>}	C[6a,6a](C[5,6a]C[5,6a]Si[5,5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	132.3115	0.456	2	132.3115	0.208	2	132.3115	0.208	2	132.3115	0.208	2	128.4000	20.474	4	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5,5]	C[6a,6a]	4:3:3:	3:3:4:3:	3:3:3:	Si[5,5]-4:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a]-3:C[5,6a]-3:Si[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a](Si[5,5]C[5,6a]Si[5,5]C[6a])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])	Si[5,5](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a,6a]C[6a])(Si[5,5]C[5,6a]2C[6a])(C[6a]C[6a]2)	C[6a,6a](C[5,6a]C[5,6a,6a]Si[5,5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](Si[5,5]C[5,6a]Si[5,5]C[6a])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a]){11|C<3>,1|H<1>}	Si[5,5](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a,6a]C[6a])(Si[5,5]C[5,6a]2C[6a])(C[6a]C[6a]2){11|C<3>,3|H<1>}	C[6a,6a](C[5,6a]C[5,6a,6a]Si[5,5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|Si<4>,3|H<1>,5|C<3>}	124.4885	0.117	2	124.4885	0.014	2	124.4885	0.014	2	124.4885	0.014	2	128.4000	20.474	4	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5,5]	C[6a]	3:4:3:	3:3:3:3:	3:3:1:	C[5,6a]-3:Si[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5,5]C[5,6a]3)(C[6a]C[6a]H)	Si[5,5](C[5,6a]C[5,6a]C[6a])4	C[6a](C[5,6a]C[5,6a]Si[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5,5]C[5,6a]3)(C[6a]C[6a]H){1|Br<1>,1|H<1>,7|C<3>}	Si[5,5](C[5,6a]C[5,6a]C[6a])4{4|H<1>,8|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5,5])(C[6a]C[6a]Br)(H){1|H<1>,5|C<3>}	130.9715	0.417	4	130.9715	0.174	4	131.1413	0.839	20	131.1413	0.839	20	131.1786	4.076	28	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5,5]	C[6a]	3:4:3:	3:3:3:3:	3:3:1:	C[5,6a]-3:Si[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5,5]C[5,6a]3)(C[6a]C[6a]H)	Si[5,5](C[5,6a]C[5,6a]C[6a])4	C[6a](C[5,6a]C[5,6a]Si[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5,5]C[5,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	Si[5,5](C[5,6a]C[5,6a]C[6a])4{10|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]Si[5,5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	131.5440	0.311	2	131.1838	1.019	16	131.1413	0.839	20	131.1413	0.839	20	131.1786	4.076	28	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5,5]	C[6a]	3:4:3:	3:3:3:3:	3:3:1:	C[5,6a]-3:Si[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5,5]C[5,6a]3)(C[6a]C[6a]H)	Si[5,5](C[5,6a]C[5,6a]C[6a])4	C[6a](C[5,6a]C[5,6a]Si[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5,5]C[5,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	Si[5,5](C[5,6a]C[5,6a]C[6a])4{4|H<1>,8|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5,5])(C[6a]C[6a]H)(H){1|Br<1>,5|C<3>}	131.3992	0.293	4	131.1838	1.019	16	131.1413	0.839	20	131.1413	0.839	20	131.1786	4.076	28	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5,5]	C[6a]	3:4:3:	3:3:3:3:	3:3:1:	C[5,6a]-3:Si[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5,5]C[5,6a]3)(C[6a]C[6a]H)	Si[5,5](C[5,6a]C[5,6a]C[6a])4	C[6a](C[5,6a]C[5,6a]Si[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5,5]C[5,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	Si[5,5](C[5,6a]C[5,6a]C[6a])4{4|H<1>,8|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5,5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	131.0255	1.257	10	131.1838	1.019	16	131.1413	0.839	20	131.1413	0.839	20	131.1786	4.076	28	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5,5]	C[6a]	3:4:3:	3:3:3:3:	3:3:3:	C[5,6a]-3:Si[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5,5]C[5,6a]3)(C[6a]C[6a]2)	Si[5,5](C[5,6a]C[5,6a]C[6a])4	C[6a](C[5,6a]C[5,6a]Si[5,5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5,5]C[5,6a]3)(C[6a]C[6a]2){2|H<1>,9|C<3>}	Si[5,5](C[5,6a]C[5,6a]C[6a])4{10|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]Si[5,5])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,8|C<3>}	131.9120	0.331	2	131.9120	0.110	2	131.9120	0.110	2	131.9120	0.110	2	131.1786	4.076	28	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5,5]	C[6a]	4:3:3:	3:3:2:2:	3:3:4:	Si[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a](Si[5,5]C[5,6a]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	Si[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2	C[6a](C[5,6a]C[5,6a]Si[5,5])(C[6a]C[6a]H)(CH3)	C[5,6a](Si[5,5]C[5,6a]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){2|H<1>,3|C<3>,3|C<4>}	Si[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2{4|C<3>,6|C<4>}	C[6a](C[5,6a]C[5,6a]Si[5,5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	132.0860	0.185	2	132.0860	0.034	2	132.0860	0.034	2	132.0860	0.034	2	131.1786	4.076	28	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5,5]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	Si[5,5]-4:C[5,6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:Si[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](Si[5,5]C[5,6a]Si[5,5]C[6a])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	Si[5,5](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a,6a]C[6a])(Si[5,5]C[5,6a]2C[6a])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a,6a]Si[5,5])(C[6a]C[6a]H)(H)	C[5,6a](Si[5,5]C[5,6a]Si[5,5]C[6a])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,9|C<3>}	Si[5,5](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a,6a]C[6a])(Si[5,5]C[5,6a]2C[6a])(C[6a]C[6a]2){11|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]Si[5,5])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,4|C<3>}	125.8180	0.198	2	125.8180	0.039	2	125.8180	0.039	2	125.8180	0.039	2	131.1786	4.076	28	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5,5]	C[6a]	4:3:3:	3:4:4:2:	3:3:1:	Si[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[5]-4:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](Si[5,5]C[5]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	Si[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si2)2(O[5]C[5])	C[6a](C[5,6a]C[5,6a]Si[5,5])(C[6a]C[6a]H)(H)	C[5,6a](Si[5,5]C[5]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|Si<4>,2|C<3>,2|C<4>,3|H<1>}	Si[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si2)2(O[5]C[5]){3|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]Si[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	135.5930	0.000	1	135.5930	0.000	1	135.5930	0.000	1	135.5930	0.000	1	131.1786	4.076	28	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5,5]	C[6a]	4:3:3:	5:3:3:2:	3:3:1:	Si[5,5]-4:C[5,6a]-3:C[6a]-3:	C[3x3,4x5,12x6]-5:C[5,6a]-3:N[5]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](Si[5,5]C[3x3,4x5,12x6]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	Si[5,5](C[3x3,4x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,4x5,12x6])(C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]Si[5,5])(C[6a]C[6a]H)(H)	C[5,6a](Si[5,5]C[3x3,4x5,12x6]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|B<5>,1|C<4>,1|C<5>,2|B<6>,3|C<3>,3|H<1>}	Si[5,5](C[3x3,4x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,4x5,12x6])(C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O[5]C[5]){1|N<2>,3|C<3>,5|B<6>,5|H<1>}	C[6a](C[5,6a]C[5,6a]Si[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|C<5>,1|H<1>,1|N<3>,1|O<2>}	134.9490	0.000	1	134.9490	0.000	1	134.9490	0.000	1	134.9490	0.000	1	131.1786	4.076	28	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	Si[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:N[6]-3:N[6]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](Si[5,6]N[5]N[6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	Si[5,6](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(N[6]C[6a]C[6])2	C[6a](C[5,6a]C[5,6a]Si[5,6])(C[6a]C[6a]H)(H)	C[5,6a](Si[5,6]N[5]N[6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){3|H<1>,6|C<3>}	Si[5,6](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(N[6]C[6a]C[6])2{10|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]Si[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|N<3>}	134.3760	0.000	1	134.3760	0.000	1	134.3760	0.000	1	134.3760	0.000	1	132.7993	1.895	3	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5,6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	Si[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6]-4:C[6]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](Si[5,6]C[5,6a]C[6]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	Si[5,6](C[5,6a]C[5,6a]C[6a])2(C[6]C[6]HH)2	C[6a](C[5,6a]C[5,6a]Si[5,6])(C[6a]C[6a]H)(H)	C[5,6a](Si[5,6]C[5,6a]C[6]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,6|H<1>}	Si[5,6](C[5,6a]C[5,6a]C[6a])2(C[6]C[6]HH)2{1|Si<4>,4|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]Si[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	132.0110	0.249	2	132.0110	0.062	2	132.0110	0.062	2	132.0110	0.062	2	132.7993	1.895	3	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a,6a]	3:3:4:	3:3:3:4:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:Si[5]-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]C)	Si[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CC3)	C[6a,6a](C[5,6a]C[5,6a]Si[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]C){2|H<1>,7|C<3>}	Si[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CC3){3|H<1>,7|C<3>}	C[6a,6a](C[5,6a]C[5,6a]Si[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	131.8655	0.072	4	131.8655	0.005	4	131.8655	0.005	4	131.8655	0.005	4	131.8655	0.005	4	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:3:4:	3:2:4:4:	3:3:4:	C[5,6a]-3:C[6a]-3:Si[5]-4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5,6a]-3:C[6a]-3:Si-4:	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]Si)(Si[5]O[5]CC)	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5])(CH3)2	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(SiCCO)	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]Si)(Si[5]O[5]CC){1|C<3>,2|C<4>,2|H<1>}	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5])(CH3)2{1|Si<4>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(SiCCO){1|Si<4>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	130.2810	0.000	1	130.2810	0.000	1	130.2810	0.000	1	130.2810	0.000	1	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:3:4:	3:3:4:2:	3:3:3:	C[5,6a]-3:C[6a]-3:Si[5]-4:	C[5,6a]-3:C[5,6a]-3:C-4:C-2:	C[5,6a]-3:C[6a]-3:N[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(Si[5]C[5,6a]CC)	Si[5](C[5,6a]C[5,6a]C[6a])2(CC3)(CC)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]2)(N[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(Si[5]C[5,6a]CC){1|C<4>,6|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])2(CC3)(CC){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]2)(N[6a]C[6a]2){1|C<2>,1|C<4>,1|O<1>,2|H<1>,7|C<3>}	130.9410	0.000	1	130.9410	0.000	1	130.9410	0.000	1	130.9410	0.000	1	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:3:4:	3:3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:Si[5]-4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(Si[5]C[5]CC)	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CH3)2	C[6a](C[5,6a]C[5,6a]Si[5])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(Si[5]C[5]CC){2|H<1>,3|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CH3)2{2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[5,6a]C[5,6a]C[5])(H){1|Si<4>,1|H<1>,2|C<4>,4|C<3>}	133.0490	0.000	1	133.0490	0.000	1	133.0490	0.000	1	133.0490	0.000	1	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:3:4:	3:3:4:4:	3:3:3:	C[5,6a]-3:C[6a]-3:Si[5]-4:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[6,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6,6a]C[6a])(Si[5]C[5,6a]CC)	Si[5](C[5,6a]C[5,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6,6a]C[6a])(Si[5]C[5,6a]CC){7|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])2(CH3)2{1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]2){2|C<4>,2|H<1>,8|C<3>}	127.9385	0.339	2	127.9385	0.115	2	127.9385	0.115	2	127.9385	0.115	2	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:Si[5]-4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(Si[5]C[5]CC)	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CH3)2	C[6a](C[5,6a]C[5,6a]Si[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(Si[5]C[5]CC){1|C<3>,1|O<2>,3|H<1>}	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CH3)2{1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[5,6a]C[5,6a]O[5])(H){1|Si<4>,1|C<3>,1|O<2>,4|C<4>}	132.3530	0.000	1	132.3530	0.000	1	132.3530	0.000	1	132.3530	0.000	1	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:2:4:4:	3:2:4:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5,6a]-3:N[6a]-2:C-4:	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]O[5]CC)(C[6a]N[6a]C)	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)2	C[6a](C[5,6a]C[5,6a]Si[5])(N[6a]C[6a])(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]O[5]CC)(C[6a]N[6a]C){1|C<3>,3|H<1>}	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]Si[5])(N[6a]C[6a])(CCHH){1|C<3>,1|O<2>,4|C<4>}	135.3120	0.000	1	135.3120	0.000	1	135.3120	0.000	1	135.3120	0.000	1	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:2:4:4:	3:3:1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a](C[5,6a]B[5,5]C[6a])(Si[5]O[5]CC)(C[6a]C[6a]F)	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5,5])(CH3)2	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(F)	C[5,6a](C[5,6a]B[5,5]C[6a])(Si[5]O[5]CC)(C[6a]C[6a]F){1|O<2>,2|C<3>,2|H<1>}	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5,5])(CH3)2{1|F<1>,1|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(F){1|B<4>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	131.9405	0.018	2	131.9405	0.000	2	132.9452	3.665	4	130.3891	7.061	24	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:2:4:4:	3:3:1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a](C[5,6a]C[6a]B[5])(Si[5]O[5]CC)(C[6a]C[6a]F)	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(CH3)2	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]B[5])(Si[5]O[5]CC)(C[6a]C[6a]F){1|C<3>,1|O<2>,2|F<1>}	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(CH3)2{1|F<1>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]F)(F){1|B<3>,1|C<3>,1|F<1>,1|O<2>,2|C<4>}	132.0850	0.000	1	132.0850	0.000	1	132.9452	3.665	4	130.3891	7.061	24	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:2:4:4:	3:3:1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]O[5]CC)(C[6a]C[6a]F)	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)2	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(F)	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]O[5]CC)(C[6a]C[6a]F){1|C<3>,1|O<1>,2|H<1>}	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)2{1|F<1>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(F){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	135.8150	0.000	1	135.8150	0.000	1	132.9452	3.665	4	130.3891	7.061	24	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:2:4:4:	3:3:1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]B[5,5]C[6a])(Si[5]O[5]CC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5,5])(CH3)2	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]B[5,5]C[6a])(Si[5]O[5]CC)(C[6a]C[6a]H){1|C<3>,1|N<4>,1|O<2>,2|H<1>}	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5,5])(CH3)2{1|H<1>,1|N<4>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	132.8230	0.369	2	132.8230	0.136	2	129.8779	6.318	20	130.3891	7.061	24	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:2:4:4:	3:3:1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]B[5])(Si[5]O[5]CC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(CH3)2	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(Si[5]O[5]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(CH3)2{1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	130.8965	0.969	2	130.8965	0.940	2	129.8779	6.318	20	130.3891	7.061	24	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:2:4:4:	3:3:1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]O[5]CC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCCH)2	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]O[5]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCCH)2{1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	133.4790	0.042	2	133.4790	0.002	2	129.8779	6.318	20	130.3891	7.061	24	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:2:4:4:	3:3:1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]O[5]CC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)2	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]O[5]CC)(C[6a]C[6a]H){2|C<3>,3|H<1>}	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)2{2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	135.0580	0.000	1	135.0580	0.000	1	129.8779	6.318	20	130.3891	7.061	24	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:2:4:4:	3:3:1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5])(CH3)2	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5])(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]C)(H){1|Si<4>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	128.7937	0.208	3	128.7167	0.142	6	129.8779	6.318	20	130.3891	7.061	24	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:2:4:4:	3:3:1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5])(CH3)2	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5])(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]C)(H){1|Si<4>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	128.0140	0.000	1	128.7167	0.142	6	129.8779	6.318	20	130.3891	7.061	24	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:2:4:4:	3:3:1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5])(CH3)2	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5])(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]C)(H){1|Si<4>,1|C<3>,1|O<2>,1|S<2>,2|C<4>}	128.9525	0.049	2	128.7167	0.142	6	129.8779	6.318	20	130.3891	7.061	24	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:2:4:4:	3:3:1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5])(CH3)2	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5])(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<2>,1|C<3>,1|O<2>,2|C<4>}	128.3847	0.445	3	127.7134	2.825	5	129.8779	6.318	20	130.3891	7.061	24	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:2:4:4:	3:3:1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5])(CH3)2	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5])(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|Si<4>,1|O<2>,2|C<3>,2|C<4>}	128.6460	0.000	1	127.7134	2.825	5	129.8779	6.318	20	130.3891	7.061	24	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:2:4:4:	3:3:1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5])(CH3)2	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|H<1>,2|C<4>}	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5])(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	124.7670	0.000	1	127.7134	2.825	5	129.8779	6.318	20	130.3891	7.061	24	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:2:4:4:	3:3:1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5])(CH3)2	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]S)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5])(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]S)(H){1|Si<4>,1|O<2>,2|C<3>,2|C<4>}	128.6180	0.276	2	128.6180	0.076	2	129.8779	6.318	20	130.3891	7.061	24	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:Cl-1:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]Cl2)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])2(Cl)2	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]Cl2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])2(Cl)2{1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){2|Cl<1>,1|H<1>,3|C<3>}	132.1080	0.000	1	132.3345	0.103	2	132.3345	0.103	2	132.3345	0.103	2	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:Cl-1:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]Cl2)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])2(Cl)2	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]Cl2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])2(Cl)2{2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){2|Cl<1>,1|H<1>,3|C<3>}	132.5610	0.000	1	132.3345	0.103	2	132.3345	0.103	2	132.3345	0.103	2	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:Cl-1:Cl-1:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]Cl2)(C[6a]C[6a]2)	Si[5](C[5,6a]C[5,6a]C[6a])2(Cl)2	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]Cl2)(C[6a]C[6a]2){2|H<1>,5|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])2(Cl)2{1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]2)(C[6a]C[6a]H){2|Cl<1>,2|H<1>,6|C<3>}	133.2720	0.000	1	133.2720	0.000	1	133.2720	0.000	1	133.2720	0.000	1	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:3:2:2:	3:3:1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:O-2:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]OO)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])2(OAl)2	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]OO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])2(OAl)2{2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|H<1>,2|O<2>,3|C<3>}	132.4825	0.991	2	132.4825	0.981	2	132.5299	0.240	8	132.5299	0.240	8	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:3:2:2:	3:3:1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:O-2:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]OO)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])2(OSi)2	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]OO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])2(OSi)2{2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|H<1>,2|O<2>,3|C<3>}	132.5457	0.372	6	132.5457	0.139	6	132.5299	0.240	8	132.5299	0.240	8	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:3:2:2:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:O-2:O-2:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(Si[5]C[5,6a]OO)(C[6a]C[6a]2)	Si[5](C[5,6a]C[5,6a]C[6a])2(OH)2	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(Si[5]C[5,6a]OO)(C[6a]C[6a]2){1|H<1>,6|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])2(OH)2{6|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){2|H<1>,2|O<2>,6|C<3>}	129.7315	0.255	2	129.7315	0.065	2	129.7315	0.065	2	129.7315	0.065	2	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:3:3:1:	3:3:4:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:B[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[6a]B[5]H)(C[6a]C[6a]C)	Si[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(B[5]C[5]O)(H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(CSi2H)	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[6a]B[5]H)(C[6a]C[6a]C){2|Si<4>,1|O<2>,2|H<1>,3|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(B[5]C[5]O)(H){2|Si<4>,3|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(CSi2H){1|B<3>,1|H<1>,2|C<3>,2|C<4>}	127.4270	0.000	1	127.4270	0.000	1	127.4270	0.000	1	127.4270	0.000	1	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:3:3:3:	3:2:1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:H-1:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]2)(C[6a]N[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[5,6a]C[5,6a]Si[5])(N[6a]C[6a])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]2)(C[6a]N[6a]H){1|H<1>,7|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{2|N<2>,6|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]Si[5])(N[6a]C[6a])(H){1|H<1>,5|C<3>}	132.8995	0.220	2	132.8995	0.048	2	132.8995	0.048	2	132.8995	0.048	2	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:3:3:3:	3:3:1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]2)(C[6a]C[5,6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[5,6a]C[5,6a]Si[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]2)(C[6a]C[5,6a]H){1|H<1>,8|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{6|H<1>,8|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[5,6a]C[5,6a]2)(H){1|Si<4>,7|C<3>}	131.5220	0.000	1	131.5220	0.000	1	131.5220	0.000	1	132.2500	0.787	17	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:3:3:3:	3:3:1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{5|H<1>,9|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	130.9600	0.000	1	131.7553	0.334	10	131.7553	0.334	10	132.2500	0.787	17	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:3:3:3:	3:3:1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{6|H<1>,8|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	131.6039	0.243	7	131.7553	0.334	10	131.7553	0.334	10	132.2500	0.787	17	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:3:3:3:	3:3:1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{6|H<1>,8|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|N<3>,5|C<3>}	132.6830	0.366	2	131.7553	0.334	10	131.7553	0.334	10	132.2500	0.787	17	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:3:3:3:	3:3:1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[6a]2C[5])(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)2	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[6a]2C[5])(C[6a]C[6a]H){2|H<1>,7|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)2{5|H<1>,9|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	133.2038	0.615	4	133.2038	0.378	4	133.2038	0.378	4	132.2500	0.787	17	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:3:3:3:	3:3:1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[6a]2C[5])(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[6a]2C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]C){6|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	133.1800	0.321	2	133.1800	0.103	2	133.1800	0.103	2	132.2500	0.787	17	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:3:3:3:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]2)(C[6a]C[6a]2)	Si[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]2)(C[6a]C[6a]2){2|H<1>,9|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{5|H<1>,9|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,8|C<3>}	131.7580	0.000	1	131.7580	0.000	1	131.7580	0.000	1	131.7580	0.000	1	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:3:3:4:	3:3:1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5a]C[6a])(Si[5]C[5,5a]C[6a]C)(C[6a]C[6a]H)	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(Si[5]C[5,5a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CH3){1|N<3>,3|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	130.7970	0.000	1	130.7970	0.000	1	130.7970	0.000	1	132.1218	1.757	13	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:3:3:4:	3:3:1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5a]C[6a])(Si[5]C[5,5a]C[6a]C)(C[6a]C[6a,6a]H)	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]Si[5])(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(Si[5]C[5,5a]C[6a]C)(C[6a]C[6a,6a]H){1|H<1>,1|N<3>,5|C<3>}	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CH3){1|N<3>,3|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]Si[5])(H){1|C<4>,1|H<1>,6|C<3>}	130.5865	0.223	2	130.5865	0.050	2	130.5865	0.050	2	132.1218	1.757	13	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:3:3:4:	3:3:1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]C)(C[6a]C[5,6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(CC3)	C[6a](C[5,6a]C[5,6a]Si[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]C)(C[6a]C[5,6a]H){1|H<1>,6|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(CC3){4|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[5,6a]C[5,6a]2)(H){1|Si<4>,1|C<4>,6|C<3>}	131.4320	0.506	2	131.4320	0.256	2	131.4320	0.256	2	132.1218	1.757	13	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:3:3:4:	3:3:1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]C)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(CC3)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(CC3){4|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	131.9745	0.433	2	131.9745	0.188	2	132.2425	0.102	6	132.1218	1.757	13	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:3:3:4:	3:3:1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]C)(C[6a]C[6a]H)	Si[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CC3)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	Si[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CC3){3|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	132.3765	0.189	4	132.3765	0.036	4	132.2425	0.102	6	132.1218	1.757	13	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:3:3:4:	3:3:1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[6a]C[5]C)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)(CC3)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	Si[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)(CC3){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	134.6470	0.057	2	134.6470	0.003	2	134.6470	0.003	2	132.1218	1.757	13	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[5]ClC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCHH)(Cl)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[5]ClC)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCHH)(Cl){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	133.5020	0.000	1	133.5020	0.000	1	133.5020	0.000	1	133.5020	0.000	1	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:3:4:2:	3:3:1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C-4:C-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])2(CC3)(CC)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])2(CC3)(CC){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	128.4260	0.000	1	128.4260	0.000	1	128.4260	0.000	1	128.4260	0.000	1	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[5,6a,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(Si[5]C[5,6a]CC)(C[6a]C[6,6a]H)	Si[5](C[5,6a]C[5,6a,6a]C[6a])2(CCHH)2	C[6a](C[5,6a]C[5,6a,6a]Si[5])(C[6,6a]C[6,6a,6a]C[6])(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(Si[5]C[5,6a]CC)(C[6a]C[6,6a]H){5|C<3>}	Si[5](C[5,6a]C[5,6a,6a]C[6a])2(CCHH)2{2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]Si[5])(C[6,6a]C[6,6a,6a]C[6])(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>}	136.6640	0.008	2	136.6640	0.000	2	136.6640	0.000	2	132.3848	11.648	79	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[5,6a,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(Si[5]C[5,6a]CC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a,6a]C[6a])2(CH3)2	C[6a](C[5,6a]C[5,6a,6a]Si[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(Si[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	Si[5](C[5,6a]C[5,6a,6a]C[6a])2(CH3)2{2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]Si[5])(C[6a]C[5,6a]H)(H){1|Si<4>,2|C<4>,3|C<3>}	138.6569	0.477	12	138.6569	0.227	12	137.9526	3.403	14	132.3848	11.648	79	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[5,6a,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a,6a]C[6a])2(CH3)2	C[6a](C[5,6a]C[5,6a,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	Si[5](C[5,6a]C[5,6a,6a]C[6a])2(CH3)2{2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]Si[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	133.7265	0.262	2	133.7265	0.069	2	137.9526	3.403	14	132.3848	11.648	79	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[5,6a,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(Si[5]C[5]CC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C)(CH3)2	C[6a](C[5,6a]C[5,6a,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(Si[5]C[5]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	Si[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C)(CH3)2{1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]Si[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	132.9845	0.762	2	132.9845	0.580	2	132.9845	0.580	2	132.3848	11.648	79	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,5]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[5,6a]H)	Si[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(CH3)2	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]Si[5])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[5,6a]H){1|H<1>,1|S<4>,3|C<3>}	Si[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(CH3)2{1|H<1>,1|S<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]Si[5])(H){1|Si<4>,1|S<4>,2|C<4>,4|C<3>}	131.9400	0.000	1	131.9400	0.000	1	131.9400	0.000	1	132.3848	11.648	79	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,5]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[6a]H)	Si[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(CH3)2	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	Si[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(CH3)2{1|H<1>,1|P<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	132.5567	0.390	3	132.5018	0.076	6	132.5018	0.076	6	132.3848	11.648	79	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,5]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[6a]H)	Si[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(CH3)2	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	Si[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(CH3)2{1|H<1>,1|S<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	132.2590	0.000	1	132.5018	0.076	6	132.5018	0.076	6	132.3848	11.648	79	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,5]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[6a]H)	Si[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(CH3)2	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[6a]H){1|Se<2>,2|C<3>,2|H<1>}	Si[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(CH3)2{1|Se<2>,1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	132.5410	0.083	2	132.5018	0.076	6	132.5018	0.076	6	132.3848	11.648	79	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5a]C[6a])(Si[5]C[5,5a]CC)(C[6a]C[5,6a]H)	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CH3)2	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]Si[5])(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(Si[5]C[5,5a]CC)(C[6a]C[5,6a]H){1|H<1>,1|S<2>,3|C<3>}	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CH3)2{1|H<1>,1|S<2>,4|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]Si[5])(H){1|Si<4>,1|S<2>,2|C<4>,4|C<3>}	132.0610	0.000	1	132.0610	0.000	1	132.0610	0.000	1	132.3848	11.648	79	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5a]C[6a])(Si[5]C[5,5a]CC)(C[6a]C[6a]H)	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CCCH)2	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(Si[5]C[5,5a]CC)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CCCH)2{1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]C)(H){1|H<1>,2|C<4>,3|C<3>}	131.1900	0.000	1	131.1900	0.000	1	131.0430	0.793	8	132.3848	11.648	79	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5a]C[6a])(Si[5]C[5,5a]CC)(C[6a]C[6a]H)	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CCCH)2	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(Si[5]C[5,5a]CC)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CCCH)2{1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	130.7470	0.685	6	130.7470	0.470	6	131.0430	0.793	8	132.3848	11.648	79	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5a]C[6a])(Si[5]C[5,5a]CC)(C[6a]C[6a]H)	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CH3)2	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(Si[5]C[5,5a]CC)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CH3)2{1|H<1>,1|S<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	132.6720	0.000	1	132.6720	0.000	1	131.0430	0.793	8	132.3848	11.648	79	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6,6]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,3x6]C[6a])(Si[5]C[5,6,6]CC)(C[6a]C[6a]H)	Si[5](C[5,6,6]C[5,3x6]C[6,6])(C[5,6a]C[5,6a]C[6a])(CH3)2	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,3x6]C[6a])(Si[5]C[5,6,6]CC)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	Si[5](C[5,6,6]C[5,3x6]C[6,6])(C[5,6a]C[5,6a]C[6a])(CH3)2{1|H<1>,2|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	127.8400	0.000	1	129.0495	2.926	2	129.0495	2.926	2	132.3848	11.648	79	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6,6]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,3x6]C[6a])(Si[5]C[5,6,6]CC)(C[6a]C[6a]H)	Si[5](C[5,6,6]C[5,3x6]C[6,6])(C[5,6a]C[5,6a]C[6a])(CH3)2	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,3x6]C[6a])(Si[5]C[5,6,6]CC)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	Si[5](C[5,6,6]C[5,3x6]C[6,6])(C[5,6a]C[5,6a]C[6a])(CH3)2{1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	130.2590	0.000	1	129.0495	2.926	2	129.0495	2.926	2	132.3848	11.648	79	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[5,6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])2(CH3)2	C[6a](C[5,6a]C[5,6a]Si[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[5,6a]H){1|H<1>,4|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])2(CH3)2{2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[5,6a]C[5,6a]2)(H){1|Si<4>,2|C<4>,5|C<3>}	130.9690	0.000	1	130.9690	0.000	1	130.9690	0.000	1	132.3848	11.648	79	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]F)	Si[5](C[5,6a]C[5,6a]C[6a])2(CH3)2	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]F){2|F<1>,3|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])2(CH3)2{2|F<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]F)(F){1|F<1>,2|C<4>,3|C<3>}	127.6780	0.000	1	127.6780	0.000	1	127.6780	0.000	1	132.3848	11.648	79	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])2(CH3)2	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]B[5])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H){1|B<3>,1|H<1>,3|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])2(CH3)2{2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]B[5])(H){1|H<1>,2|C<4>,2|O<2>,3|C<3>}	131.5970	0.000	1	131.5970	0.000	1	131.0321	0.659	21	132.3848	11.648	79	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])2(CH3)2	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])2(CH3)2{2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]C)(H){1|H<1>,2|C<4>,3|C<3>}	131.5500	0.000	1	131.5500	0.000	1	131.0321	0.659	21	132.3848	11.648	79	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])2(CH3)2	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])2(CH3)2{1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	129.5110	0.351	2	131.1176	1.222	9	131.0321	0.659	21	132.3848	11.648	79	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])2(CH3)2	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])2(CH3)2{2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	131.5766	0.709	7	131.1176	1.222	9	131.0321	0.659	21	132.3848	11.648	79	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])2(CH3)2	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])2(CH3)2{2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]N)(H){1|H<1>,2|C<4>,3|C<3>}	131.1565	0.341	4	131.1565	0.116	4	131.0321	0.659	21	132.3848	11.648	79	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])2(CH3)2	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])2(CH3)2{2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]O)(H){1|H<1>,2|C<4>,3|C<3>}	131.0317	0.478	3	130.8777	0.247	4	131.0321	0.659	21	132.3848	11.648	79	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])2(CH3)2	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])2(CH3)2{2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]O)(H){1|N<3>,2|C<4>,3|C<3>}	130.4160	0.000	1	130.8777	0.247	4	131.0321	0.659	21	132.3848	11.648	79	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])2(CH3)2	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])2(CH3)2{2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a,6a]H)(H){2|C<4>,4|C<3>}	130.1660	0.088	2	130.1660	0.008	2	131.0321	0.659	21	132.3848	11.648	79	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(Si[5]C[5,6a]CC)(C[6a]C[6a,6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])2(CH3)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]Si[5])(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(Si[5]C[5,6a]CC)(C[6a]C[6a,6a]H){5|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])2(CH3)2{2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]Si[5])(H){1|H<1>,2|C<4>,5|C<3>}	128.2360	0.000	1	128.2360	0.000	1	128.2360	0.000	1	132.3848	11.648	79	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[5]C)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]C[5]H)(CCHH)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[5]C)(C[6a]C[6a]H){3|H<1>,5|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]C[5]H)(CCHH){1|C<4>,2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	132.2725	0.740	2	132.2725	0.548	2	132.2725	0.548	2	132.3848	11.648	79	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:Si-4:Si-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]Si2)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])2(SiC3)2	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]Si2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])2(SiC3)2{1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){2|Si<4>,1|H<1>,3|C<3>}	131.2230	0.000	1	131.2230	0.000	1	131.2230	0.000	1	132.3848	11.648	79	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:Si[5]-4:Si[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]Si[5]2)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])2(Si[5]C[5,6a]2Si)2	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]Si[5]2)(C[6a]C[6a]H){2|Si<4>,2|H<1>,7|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])2(Si[5]C[5,6a]2Si)2{12|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){2|Si<4>,1|H<1>,3|C<3>}	131.4105	0.046	2	131.4105	0.002	2	131.8622	1.277	8	132.3848	11.648	79	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:Si[5]-4:Si[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]Si[5]2)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])2(Si[5]C[5,6a]2Si[5])(Si[5]C[5,6a]2Pd)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]Si[5]2)(C[6a]C[6a]H){1|Pd<4>,1|Si<4>,2|H<1>,7|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])2(Si[5]C[5,6a]2Si[5])(Si[5]C[5,6a]2Pd){14|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){2|Si<4>,1|H<1>,3|C<3>}	132.3565	1.218	2	132.3565	1.484	2	131.8622	1.277	8	132.3848	11.648	79	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:Si[5]-4:Si[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]Si[5]2)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])2(Si[5]C[5,6a]2Si[5])(Si[5]C[5,6a]2Pt)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]Si[5]2)(C[6a]C[6a]H){1|Pt<4>,1|Si<4>,2|H<1>,7|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])2(Si[5]C[5,6a]2Si[5])(Si[5]C[5,6a]2Pt){14|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){2|Si<4>,1|H<1>,3|C<3>}	131.8410	1.478	4	131.8410	2.186	4	131.8622	1.277	8	132.3848	11.648	79	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[5]CC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CH3)2	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[5]CC)(C[6a]C[6a]H){2|C<3>,3|H<1>}	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CH3)2{2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	133.6333	0.251	3	133.5482	0.071	4	129.1360	22.284	8	132.3848	11.648	79	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[5]CC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CH3)2	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[5]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CH3)2{1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	133.2930	0.000	1	133.5482	0.071	4	129.1360	22.284	8	132.3848	11.648	79	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5]CC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]C)(CH3)2	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5]CC)(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]C)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]C)(H){1|Si<4>,1|H<1>,2|C<3>,2|C<4>}	124.6650	0.086	2	124.6650	0.007	2	129.1360	22.284	8	132.3848	11.648	79	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5]CC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]C)(CH3)2	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5]CC)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]C)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|Si<4>,2|C<4>,3|C<3>}	124.7825	0.103	2	124.7825	0.011	2	129.1360	22.284	8	132.3848	11.648	79	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:3:4:4:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:Si-4:Si-4:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]Si2)(C[6a]C[6a]2)	Si[5](C[5,6a]C[5,6a]C[6a])2(SiC3)2	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]Si2)(C[6a]C[6a]2){2|H<1>,5|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])2(SiC3)2{1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]2)(C[6a]C[6a]H){2|Si<4>,2|H<1>,6|C<3>}	131.1830	0.000	1	131.1830	0.000	1	131.1830	0.000	1	131.1830	0.000	1	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:Si[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]Si[5]HH)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[6a]Si[5]Pd)(H)2	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]Si[5]HH)(C[6a]C[6a]H){1|Pd<4>,2|C<3>,2|C<4>,2|H<1>}	Si[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[6a]Si[5]Pd)(H)2{1|H<1>,2|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){2|Si<4>,1|C<3>,3|H<1>}	124.1600	0.000	1	124.1600	0.000	1	124.1600	0.000	1	124.1600	0.000	1	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:4:4:2:	3:3:1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C-4:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[5]CO)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC3)(OC)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[5]CO)(C[6a]C[6a]H){1|C<3>,6|H<1>}	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC3)(OC){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	131.8530	0.048	2	131.8530	0.002	2	131.8530	0.002	2	131.8530	0.002	2	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:4:4:4:	3:3:1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]Fe)(CH3)2	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[6a]H){1|Fe<10>,1|C<3>,2|C<4>,2|H<1>}	Si[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]Fe)(CH3)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	131.4920	0.065	2	131.4920	0.004	2	128.7866	6.032	7	125.0871	14.367	23	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:4:4:4:	3:3:1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]O[5])(Si[5]C[5,5]CC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2O[5])(CH3)2	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(Si[5]C[5,5]CC)(C[6a]C[6a]H){2|C<4>,3|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2O[5])(CH3)2{1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	131.1180	0.000	1	131.1180	0.000	1	128.7866	6.032	7	125.0871	14.367	23	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:4:4:4:	3:3:1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5,5]CC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])(C[5,5]Si[5]2C[5])(CH3)2	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5,5]CC)(C[6a]C[6a]H){1|Si<2>,1|C<3>,2|H<1>,3|C<4>}	Si[5](C[5,6a]C[5,6a]C[6a])(C[5,5]Si[5]2C[5])(CH3)2{2|C<3>,3|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|H<1>,3|C<4>}	126.8510	0.613	4	126.8510	0.376	4	128.7866	6.032	7	125.0871	14.367	23	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:4:4:4:	3:3:1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(Si[5]C[5]CC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5]H)(CH3)2	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(Si[5]C[5]CC)(C[6a]C[6a]H){2|C<3>,3|H<1>}	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5]H)(CH3)2{1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>,3|C<4>}	129.1530	0.000	1	129.1530	0.000	1	126.6534	1.624	7	125.0871	14.367	23	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:4:4:4:	3:3:1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5]CC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]HH)(CH3)2	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5]CC)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]HH)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]2)(H){1|Si<4>,1|H<1>,3|C<3>,3|C<4>}	125.3980	0.000	1	125.3980	0.000	1	126.6534	1.624	7	125.0871	14.367	23	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:4:4:4:	3:3:1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5]CC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]HH)(CH3)2	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5]CC)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]HH)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]C)(H){1|Si<4>,1|C<3>,1|H<1>,3|C<4>}	126.3550	0.000	1	126.3550	0.000	1	126.6534	1.624	7	125.0871	14.367	23	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:4:4:4:	3:3:1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5]CC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]HH)(CH3)2	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]HH)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|Si<4>,2|C<3>,3|C<4>}	126.0795	0.185	2	126.0550	0.019	3	126.6534	1.624	7	125.0871	14.367	23	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:4:4:4:	3:3:1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5]CC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]HH)(CH3)2	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]HH)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){2|Si<4>,1|C<3>,3|C<4>}	126.0060	0.000	1	126.0550	0.019	3	126.6534	1.624	7	125.0871	14.367	23	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:4:4:4:	3:3:1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5]CC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]HH)(CH3)2	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]Si)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5]CC)(C[6a]C[6a]H){1|Si<4>,1|C<3>,2|C<4>,3|H<1>}	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]HH)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]Si)(H){1|Si<4>,1|C<3>,1|H<1>,3|C<4>}	127.5030	0.000	1	127.5030	0.000	1	126.6534	1.624	7	125.0871	14.367	23	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:4:4:4:	3:3:1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:Si[5]-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]Si[5]CC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[6a]Si[5]Pd)(CH3)2	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]Si[5]CC)(C[6a]C[6a]H){1|Pd<4>,2|C<3>,4|H<1>}	Si[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[6a]Si[5]Pd)(CH3)2{3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){2|Si<4>,1|C<3>,1|H<1>,2|C<4>}	122.4670	0.000	1	122.4670	0.000	1	120.9914	0.773	9	125.0871	14.367	23	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:4:4:4:	3:3:1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:Si[5]-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]Si[5]CC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])(Si[5]Si[5]CC)(CH3)2	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]Si[5]CC)(C[6a]C[6a]H){1|C<3>,1|H<1>,5|C<4>}	Si[5](C[5,6a]C[5,6a]C[6a])(Si[5]Si[5]CC)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]C)(H){2|Si<4>,1|C<3>,3|C<4>}	121.1280	0.773	4	120.8070	0.534	8	120.9914	0.773	9	125.0871	14.367	23	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:4:4:4:	3:3:1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:Si[5]-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]Si[5]CC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])(Si[5]Si[5]CC)(CH3)2	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]Si[5]CC)(C[6a]C[6a]H){1|C<3>,1|H<1>,5|C<4>}	Si[5](C[5,6a]C[5,6a]C[6a])(Si[5]Si[5]CC)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]C)(H){2|Si<4>,2|C<3>,2|C<4>}	120.6365	0.718	2	120.8070	0.534	8	120.9914	0.773	9	125.0871	14.367	23	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	3:4:3:	3:4:4:4:	3:3:1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:Si[5]-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]Si[5]CC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])(Si[5]Si[5]CC)(CH3)2	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]Si[5]CC)(C[6a]C[6a]H){1|H<1>,2|C<3>,4|C<4>}	Si[5](C[5,6a]C[5,6a]C[6a])(Si[5]Si[5]CC)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]C)(H){2|Si<4>,1|C<3>,3|C<4>}	120.3355	0.715	2	120.8070	0.534	8	120.9914	0.773	9	125.0871	14.367	23	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:4:	Si[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:Si[5,5]-4:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a](Si[5]Si[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]N[5])(Si[5,5]C[5]3)(H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(CCCH)	C[5,6a](Si[5]Si[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>,4|C<4>}	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]N[5])(Si[5,5]C[5]3)(H){11|C<4>,1|N<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,2|C<3>,2|H<1>}	122.4980	0.000	1	122.4980	0.000	1	122.4980	0.000	1	122.4980	0.000	1	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	Si[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:Si[5]-4:Si-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](Si[5]C[5,6a]Si[5]Si)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])2(Si[5]C[5,6a]2Si[5])(SiC3)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](Si[5]C[5,6a]Si[5]Si)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|Si<4>,2|H<1>,5|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])2(Si[5]C[5,6a]2Si[5])(SiC3){10|C<3>,1|Si<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){2|Si<4>,1|H<1>,3|C<3>}	131.5267	0.277	4	131.5267	0.077	4	131.5267	0.077	4	131.5267	0.077	4	131.0274	13.769	195	131.0376	12.391	234
727	562	643	0:SP2_SP2_SP3	C[5,6a]	Si[5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	Si[5]-4:C[5,6a]-3:C[6a]-3:	Si[5]-4:C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](Si[5]C[6a]Si[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	Si[5](Si[5]C[5,6a]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](Si[5]C[6a]Si[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	Si[5](Si[5]C[5,6a]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5]){2|H<1>,4|C<4>,8|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	132.4375	1.012	4	132.4375	1.024	4	132.4375	1.024	4	132.4375	1.024	4	131.0274	13.769	195	131.0376	12.391	234
727	562	727	0:SP2_SP2_SP3	C[5,5a]	Si[5]	C[5a,6a]	3:3:4:	3:3:3:4:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:Si[5]-4:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:C-4:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(Si[5]C[5,6a]C[6a]C)	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CH3)	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(Si[5]C[5,6a]C[6a]C){1|C<4>,1|H<1>,6|C<3>}	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CH3){1|N<3>,3|H<1>,6|C<3>}	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,3|C<4>,4|C<3>}	145.4110	0.000	1	144.7910	0.330	3	144.7910	0.330	3	144.7910	0.330	3	143.4005	4.183	18	141.4129	9.458	30
727	562	727	0:SP2_SP2_SP3	C[5,5a]	Si[5]	C[5a,6a]	3:3:4:	3:3:3:4:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:Si[5]-4:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:C-4:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(Si[5]C[5,6a]C[6a]C)	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CH3)	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(Si[5]C[5,6a]C[6a]C){1|C<4>,1|H<1>,6|C<3>}	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CH3){1|N<3>,3|H<1>,6|C<3>}	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	144.4810	0.288	2	144.7910	0.330	3	144.7910	0.330	3	144.7910	0.330	3	143.4005	4.183	18	141.4129	9.458	30
727	562	727	0:SP2_SP2_SP3	C[5,5a]	Si[5]	C[5a,6a]	3:3:4:	3:3:4:4:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:Si[5]-4:	C[5,5a]-3:C[5,5a]-3:C-4:C-4:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]S[5a])(Si[5]C[5,5a]CC)	Si[5](C[5,5a]C[5a,6a]C[5,5a])2(CH3)2	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]S[5a])(Si[5]C[5,5a]CC){1|H<1>,1|S<2>,3|C<3>}	Si[5](C[5,5a]C[5a,6a]C[5,5a])2(CH3)2{2|S<2>,4|C<3>}	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	140.9280	0.263	2	140.9280	0.069	2	140.9280	0.069	2	142.9045	4.775	13	143.4005	4.183	18	141.4129	9.458	30
727	562	727	0:SP2_SP2_SP3	C[5,5a]	Si[5]	C[5a,6a]	3:3:4:	3:3:4:4:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:Si[5]-4:	C[5,5a]-3:C[5,6a]-3:C-4:C-4:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(Si[5]C[5,6a]CC)	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CCCH)2	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(Si[5]C[5,6a]CC){1|C<4>,1|H<1>,4|C<3>}	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CCCH)2{1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>,3|C<4>}	145.4160	0.000	1	144.6900	1.395	7	143.7567	4.495	9	142.9045	4.775	13	143.4005	4.183	18	141.4129	9.458	30
727	562	727	0:SP2_SP2_SP3	C[5,5a]	Si[5]	C[5a,6a]	3:3:4:	3:3:4:4:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:Si[5]-4:	C[5,5a]-3:C[5,6a]-3:C-4:C-4:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(Si[5]C[5,6a]CC)	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CCCH)2	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(Si[5]C[5,6a]CC){1|C<4>,1|H<1>,4|C<3>}	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CCCH)2{1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	144.9557	0.403	3	144.6900	1.395	7	143.7567	4.495	9	142.9045	4.775	13	143.4005	4.183	18	141.4129	9.458	30
727	562	727	0:SP2_SP2_SP3	C[5,5a]	Si[5]	C[5a,6a]	3:3:4:	3:3:4:4:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:Si[5]-4:	C[5,5a]-3:C[5,6a]-3:C-4:C-4:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(Si[5]C[5,6a]CC)	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CCCH)2	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(Si[5]C[5,6a]CC){1|H<1>,1|S<4>,4|C<3>}	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CCCH)2{1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	142.0950	0.000	1	144.6900	1.395	7	143.7567	4.495	9	142.9045	4.775	13	143.4005	4.183	18	141.4129	9.458	30
727	562	727	0:SP2_SP2_SP3	C[5,5a]	Si[5]	C[5a,6a]	3:3:4:	3:3:4:4:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:Si[5]-4:	C[5,5a]-3:C[5,6a]-3:C-4:C-4:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(Si[5]C[5,6a]CC)	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CCCH)2	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(Si[5]C[5,6a]CC){1|H<1>,5|C<3>}	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CCCH)2{1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	145.2260	0.000	2	144.6900	1.395	7	143.7567	4.495	9	142.9045	4.775	13	143.4005	4.183	18	141.4129	9.458	30
727	562	727	0:SP2_SP2_SP3	C[5,5a]	Si[5]	C[5a,6a]	3:3:4:	3:3:4:4:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:Si[5]-4:	C[5,5a]-3:C[5,6a]-3:C-4:C-4:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]S[5a])(Si[5]C[5,6a]CC)	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CH3)2	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]S[5a])(Si[5]C[5,6a]CC){1|H<1>,4|C<3>}	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CH3)2{1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){1|H<1>,1|S<2>,2|C<4>,3|C<3>}	140.2150	0.000	1	140.2150	0.000	1	143.7567	4.495	9	142.9045	4.775	13	143.4005	4.183	18	141.4129	9.458	30
727	562	727	0:SP2_SP2_SP3	C[5,5a]	Si[5]	C[5a,6a]	3:3:4:	3:3:4:4:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:Si[5]-4:	C[5,5a]-3:C[5,6a]-3:C-4:C-4:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]S[5a])(Si[5]C[5,6a]CC)	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CH3)2	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]S[5a])(Si[5]C[5,6a]CC){1|H<1>,4|C<3>}	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CH3)2{1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	140.7650	0.000	1	140.7650	0.000	1	143.7567	4.495	9	142.9045	4.775	13	143.4005	4.183	18	141.4129	9.458	30
727	562	727	0:SP2_SP2_SP3	C[5,5a]	Si[5]	C[5a,6a]	3:3:4:	3:3:4:4:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:Si[5]-4:	C[5,5a]-3:C[5]-3:C-4:C-4:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]C[5])(Si[5]C[5]CC)	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5a]C[5])(CH3)2	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]C[5])(Si[5]C[5]CC){1|H<1>,4|C<3>}	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5a]C[5])(CH3)2{1|S<2>,5|C<3>}	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	141.0460	0.076	2	141.0460	0.006	2	141.0460	0.006	2	142.9045	4.775	13	143.4005	4.183	18	141.4129	9.458	30
727	562	727	0:SP2_SP2_SP3	C[5,5a]	Si[5]	C[5a,6a]	3:3:4:	3:4:4:4:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:Si[5]-4:	C[5,5a]-3:C[5]-4:C-4:C-4:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(Si[5]C[5]CC)	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(CH3)2	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(Si[5]C[5]CC){1|Si<4>,1|C<4>,3|C<3>,3|H<1>}	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(CH3)2{1|Si<4>,1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|H<1>,5|C<4>}	143.6560	0.000	1	143.6560	0.000	1	143.6560	0.000	1	143.6560	0.000	1	143.4005	4.183	18	141.4129	9.458	30
727	562	727	0:SP2_SP2_SP3	C[5,5a]	Si[5]	C[5a,6a]	3:3:4:	4:3:3:3:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:Si[5]-4:	C[4,5,5]-4:C[5,5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[4,5,5]O[5a])(Si[5]C[4,5,5]C[6a]2)	Si[5](C[4,5,5]C[4,5,5]2C[5,6a])(C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)2	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[4,5,5]O[5a])(Si[5]C[4,5,5]C[6a]2){1|H<1>,1|O<2>,2|C<4>,7|C<3>}	Si[5](C[4,5,5]C[4,5,5]2C[5,6a])(C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)2{1|C<4>,3|O<2>,4|H<1>,9|C<3>}	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	145.4220	0.000	1	145.4220	0.000	1	145.4220	0.000	1	145.4220	0.000	1	143.4005	4.183	18	141.4129	9.458	30
727	562	727	0:SP2_SP2_SP3	C[5,5a]	Si[5]	C[5a]	3:3:4:	3:3:4:4:	3:2:4:	C[5,5a]-3:C[5a]-3:Si[5]-4:	C[5,5a]-3:C[5]-3:C-4:C-4:	C[5,5a]-3:S[5a]-2:Si-4:	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]S[5a]Si)(Si[5]C[5]CC)	Si[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]S)(CH3)2	C[5a](C[5,5a]C[5,5a]Si[5])(S[5a]C[5a])(SiC3)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]S[5a]Si)(Si[5]C[5]CC){1|Si<4>,1|C<2>,1|S<2>}	Si[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]S)(CH3)2{1|Si<4>,1|C<2>,1|C<3>,1|S<2>}	C[5a](C[5,5a]C[5,5a]Si[5])(S[5a]C[5a])(SiC3){1|Si<4>,2|C<3>,2|C<4>}	137.7450	0.000	1	137.7450	0.000	1	137.7450	0.000	1	137.7450	0.000	1	138.4314	2.308	12	141.4129	9.458	30
727	562	727	0:SP2_SP2_SP3	C[5,5a]	Si[5]	C[5a]	3:4:3:	3:3:3:3:	3:3:1:	C[5,5a]-3:Si[5]-4:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a](C[5,5a]C[5,5a]S[5a])(Si[5]C[5,5a]C[6a]2)(C[5a]C[5a]H)	Si[5](C[5,5a]C[5,5a]C[5a])2(C[6a]C[6a]2)2	C[5a](C[5,5a]C[5,5a]Si[5])(C[5a]C[5a]S[5a])(H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(Si[5]C[5,5a]C[6a]2)(C[5a]C[5a]H){1|S<2>,6|C<3>}	Si[5](C[5,5a]C[5,5a]C[5a])2(C[6a]C[6a]2)2{2|S<2>,6|C<3>,6|H<1>}	C[5a](C[5,5a]C[5,5a]Si[5])(C[5a]C[5a]S[5a])(H){1|S<2>,5|C<3>}	140.8930	0.000	1	140.8930	0.000	1	140.8167	0.025	3	140.8167	0.025	3	138.4314	2.308	12	141.4129	9.458	30
727	562	727	0:SP2_SP2_SP3	C[5,5a]	Si[5]	C[5a]	3:4:3:	3:3:3:3:	3:3:1:	C[5,5a]-3:Si[5]-4:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a](C[5,5a]C[5,5a]S[5a])(Si[5]C[5,5a]C[6a]2)(C[5a]C[5a]H)	Si[5](C[5,5a]C[5,5a]C[5a])2(C[6a]C[6a]2)2	C[5a](C[5,5a]C[5,5a]Si[5])(C[5a]C[6a]S[5a])(H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(Si[5]C[5,5a]C[6a]2)(C[5a]C[5a]H){1|S<2>,6|C<3>}	Si[5](C[5,5a]C[5,5a]C[5a])2(C[6a]C[6a]2)2{2|S<2>,6|C<3>,6|H<1>}	C[5a](C[5,5a]C[5,5a]Si[5])(C[5a]C[6a]S[5a])(H){6|C<3>}	140.6360	0.000	1	140.6360	0.000	1	140.8167	0.025	3	140.8167	0.025	3	138.4314	2.308	12	141.4129	9.458	30
727	562	727	0:SP2_SP2_SP3	C[5,5a]	Si[5]	C[5a]	3:4:3:	3:3:3:3:	3:3:1:	C[5,5a]-3:Si[5]-4:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a](C[5,5a]C[5,5a]S[5a])(Si[5]C[5,5a]C[6a]2)(C[5a]C[5a]H)	Si[5](C[5,5a]C[5,5a]C[5a])2(C[6a]C[6a]2)2	C[5a](C[5,5a]C[5,5a]Si[5])(C[5a]S[5a]S)(H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(Si[5]C[5,5a]C[6a]2)(C[5a]C[5a]H){2|S<2>,5|C<3>}	Si[5](C[5,5a]C[5,5a]C[5a])2(C[6a]C[6a]2)2{2|S<2>,6|C<3>,6|H<1>}	C[5a](C[5,5a]C[5,5a]Si[5])(C[5a]S[5a]S)(H){4|C<3>}	140.9210	0.000	1	140.9210	0.000	1	140.8167	0.025	3	140.8167	0.025	3	138.4314	2.308	12	141.4129	9.458	30
727	562	727	0:SP2_SP2_SP3	C[5,5a]	Si[5]	C[5a]	3:4:3:	3:3:4:4:	3:2:4:	C[5,5a]-3:Si[5]-4:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:C-4:C-4:	C[5,5a]-3:S[5a]-2:Si-4:	C[5,5a](C[5,5a]C[5,5a]C[5a])(Si[5]C[5,5a]CC)(C[5a]S[5a]Si)	Si[5](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5,5a]S[5a])(CH3)2	C[5a](C[5,5a]C[5,5a]Si[5])(S[5a]C[5a])(SiC3)	C[5,5a](C[5,5a]C[5,5a]C[5a])(Si[5]C[5,5a]CC)(C[5a]S[5a]Si){1|Br<1>,1|C<3>,1|S<2>}	Si[5](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5,5a]S[5a])(CH3)2{1|Si<4>,1|S<2>,3|C<3>}	C[5a](C[5,5a]C[5,5a]Si[5])(S[5a]C[5a])(SiC3){1|Br<1>,2|C<3>,2|C<4>}	137.8960	0.268	3	137.6227	0.367	8	137.6227	0.367	8	137.6227	0.367	8	138.4314	2.308	12	141.4129	9.458	30
727	562	727	0:SP2_SP2_SP3	C[5,5a]	Si[5]	C[5a]	3:4:3:	3:3:4:4:	3:2:4:	C[5,5a]-3:Si[5]-4:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:C-4:C-4:	C[5,5a]-3:S[5a]-2:Si-4:	C[5,5a](C[5,5a]C[5,5a]C[5a])(Si[5]C[5,5a]CC)(C[5a]S[5a]Si)	Si[5](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5,5a]S[5a])(CH3)2	C[5a](C[5,5a]C[5,5a]Si[5])(S[5a]C[5a])(SiC3)	C[5,5a](C[5,5a]C[5,5a]C[5a])(Si[5]C[5,5a]CC)(C[5a]S[5a]Si){1|S<2>,2|C<3>}	Si[5](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5,5a]S[5a])(CH3)2{1|Si<4>,1|S<2>,3|C<3>}	C[5a](C[5,5a]C[5,5a]Si[5])(S[5a]C[5a])(SiC3){2|C<4>,3|C<3>}	137.8255	0.298	2	137.6227	0.367	8	137.6227	0.367	8	137.6227	0.367	8	138.4314	2.308	12	141.4129	9.458	30
727	562	727	0:SP2_SP2_SP3	C[5,5a]	Si[5]	C[5a]	3:4:3:	3:3:4:4:	3:2:4:	C[5,5a]-3:Si[5]-4:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:C-4:C-4:	C[5,5a]-3:S[5a]-2:Si-4:	C[5,5a](C[5,5a]C[5,5a]C[5a])(Si[5]C[5,5a]CC)(C[5a]S[5a]Si)	Si[5](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5,5a]S[5a])(CH3)2	C[5a](C[5,5a]C[5,5a]Si[5])(S[5a]C[5a])(SiC3)	C[5,5a](C[5,5a]C[5,5a]C[5a])(Si[5]C[5,5a]CC)(C[5a]S[5a]Si){1|Si<4>,1|C<3>,1|S<2>}	Si[5](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5,5a]S[5a])(CH3)2{1|Si<4>,1|S<2>,3|C<3>}	C[5a](C[5,5a]C[5,5a]Si[5])(S[5a]C[5a])(SiC3){1|Si<4>,2|C<3>,2|C<4>}	137.2143	0.874	3	137.6227	0.367	8	137.6227	0.367	8	137.6227	0.367	8	138.4314	2.308	12	141.4129	9.458	30
727	562	727	5:SP2_SP2_SP3	C[5,5a]	Si[5]	C[5,5a]	3:3:4:	3:3:3:4:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:Si[5]-4:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:C-4:	C[5,5a]-3:C[5,6a]-3:N[5a]-3:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(Si[5]C[5,6a]C[6a]C)	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CH3)	C[5,5a](C[5,5a]C[5a,6a]Si[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(Si[5]C[5,6a]C[6a]C){1|C<4>,1|H<1>,6|C<3>}	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CH3){1|N<3>,3|H<1>,6|C<3>}	C[5,5a](C[5,5a]C[5a,6a]Si[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C){1|C<4>,1|H<1>,5|C<3>}	108.8417	0.520	3	108.8417	0.271	3	108.8417	0.271	3	108.8417	0.271	3	109.3469	3.124	38	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,5a]	Si[5]	C[5,5a]	3:3:4:	3:3:4:4:	3:3:2:	C[5a,6a]-3:C[5,5a]-3:Si[5]-4:	C[5,5a]-3:C[5,5a]-3:C-4:C-4:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]S[5a])(Si[5]C[5,5a]CC)	Si[5](C[5,5a]C[5a,6a]C[5,5a])2(CH3)2	C[5,5a](C[5,5a]C[5a,6a]Si[5])(C[5,5a]C[5,5a]S[5a])(S[5a]C[5a,6a])	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]S[5a])(Si[5]C[5,5a]CC){1|H<1>,1|S<2>,3|C<3>}	Si[5](C[5,5a]C[5a,6a]C[5,5a])2(CH3)2{2|S<2>,4|C<3>}	C[5,5a](C[5,5a]C[5a,6a]Si[5])(C[5,5a]C[5,5a]S[5a])(S[5a]C[5a,6a]){2|C<4>,4|C<3>}	107.7685	0.162	2	107.7685	0.026	2	107.7685	0.026	2	107.4003	0.342	6	109.3469	3.124	38	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,5a]	Si[5]	C[5,5a]	3:3:4:	3:3:4:4:	3:3:2:	C[5a,6a]-3:C[5,5a]-3:Si[5]-4:	C[5,5a]-3:C[5,6a]-3:C-4:C-4:	C[5,5a]-3:C[5,6a]-3:S[5a]-2:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]S[5a])(Si[5]C[5,6a]CC)	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CH3)2	C[5,5a](C[5,5a]C[5a,6a]Si[5])(C[5,6a]C[5,6a]C[6a])(S[5a]C[5a,6a])	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]S[5a])(Si[5]C[5,6a]CC){1|H<1>,4|C<3>}	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CH3)2{1|H<1>,1|S<2>,4|C<3>}	C[5,5a](C[5,5a]C[5a,6a]Si[5])(C[5,6a]C[5,6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,2|C<4>,4|C<3>}	107.7045	0.268	2	107.7045	0.072	2	107.7045	0.072	2	107.4003	0.342	6	109.3469	3.124	38	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,5a]	Si[5]	C[5,5a]	3:3:4:	3:3:4:4:	3:3:2:	C[5a,6a]-3:C[5,5a]-3:Si[5]-4:	C[5,5a]-3:C[5]-3:C-4:C-4:	C[5,5a]-3:C[5]-3:S[5a]-2:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]C[5])(Si[5]C[5]CC)	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5a]C[5])(CH3)2	C[5,5a](C[5,5a]C[5a,6a]Si[5])(C[5]C[5a]C[5])(S[5a]C[5a,6a])	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]C[5])(Si[5]C[5]CC){1|H<1>,4|C<3>}	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5a]C[5])(CH3)2{1|S<2>,5|C<3>}	C[5,5a](C[5,5a]C[5a,6a]Si[5])(C[5]C[5a]C[5])(S[5a]C[5a,6a]){2|C<4>,5|C<3>}	106.7280	0.503	2	106.7280	0.253	2	106.7280	0.253	2	107.4003	0.342	6	109.3469	3.124	38	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,5a]	Si[5]	C[5,5a]	3:3:4:	3:3:4:4:	3:3:3:	C[5,5a]-3:C[5a]-3:Si[5]-4:	C[5,5a]-3:C[5]-3:C-4:C-4:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]S[5a]Si)(Si[5]C[5]CC)	Si[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]S)(CH3)2	C[5,5a](C[5,5a]C[5a]Si[5])(C[5a]S[5a]Si)(C[5]C[5]C)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]S[5a]Si)(Si[5]C[5]CC){1|Si<4>,1|C<2>,1|S<2>}	Si[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]S)(CH3)2{1|Si<4>,1|C<2>,1|C<3>,1|S<2>}	C[5,5a](C[5,5a]C[5a]Si[5])(C[5a]S[5a]Si)(C[5]C[5]C){1|Si<4>,1|S<2>,2|C<4>}	109.2990	0.000	1	109.2990	0.000	1	109.2990	0.000	1	108.9610	0.210	8	109.3469	3.124	38	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,5a]	Si[5]	C[5,5a]	3:3:4:	3:3:4:4:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:Si[5]-4:	C[5,5a]-3:C[5,6a]-3:C-4:C-4:	C[5,5a]-3:C[5,6a]-3:N[5a]-3:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(Si[5]C[5,6a]CC)	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CCCH)2	C[5,5a](C[5,5a]C[5a,6a]Si[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(Si[5]C[5,6a]CC){1|C<4>,1|H<1>,4|C<3>}	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CCCH)2{1|H<1>,1|N<3>,4|C<3>}	C[5,5a](C[5,5a]C[5a,6a]Si[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C){1|H<1>,2|C<4>,4|C<3>}	109.0067	0.086	4	109.0067	0.007	4	108.9127	0.223	7	108.9610	0.210	8	109.3469	3.124	38	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,5a]	Si[5]	C[5,5a]	3:3:4:	3:3:4:4:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:Si[5]-4:	C[5,5a]-3:C[5,6a]-3:C-4:C-4:	C[5,5a]-3:C[5,6a]-3:N[5a]-3:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(Si[5]C[5,6a]CC)	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CCCH)2	C[5,5a](C[5,5a]C[5a,6a]Si[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C[6a])	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(Si[5]C[5,6a]CC){1|H<1>,5|C<3>}	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CCCH)2{1|H<1>,1|N<3>,4|C<3>}	C[5,5a](C[5,5a]C[5a,6a]Si[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C[6a]){1|H<1>,2|C<4>,6|C<3>}	108.3340	0.000	2	108.3340	0.000	2	108.9127	0.223	7	108.9610	0.210	8	109.3469	3.124	38	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,5a]	Si[5]	C[5,5a]	3:3:4:	3:3:4:4:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:Si[5]-4:	C[5,5a]-3:C[5,6a]-3:C-4:C-4:	C[5,5a]-3:C[5,6a]-3:N[5a]-3:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(Si[5]C[5,6a]CC)	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CCCH)2	C[5,5a](C[5,5a]C[5a,6a]Si[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]S)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(Si[5]C[5,6a]CC){1|H<1>,1|S<4>,4|C<3>}	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CCCH)2{1|H<1>,1|N<3>,4|C<3>}	C[5,5a](C[5,5a]C[5a,6a]Si[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]S){1|H<1>,2|C<4>,4|C<3>}	109.6940	0.000	1	109.6940	0.000	1	108.9127	0.223	7	108.9610	0.210	8	109.3469	3.124	38	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,5a]	Si[5]	C[5,5a]	3:3:4:	3:4:4:4:	3:3:4:	C[5a,6a]-3:C[5,5a]-3:Si[5]-4:	C[5,5a]-3:C[5]-4:C-4:C-4:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(Si[5]C[5]CC)	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(CH3)2	C[5,5a](C[5,5a]C[5a,6a]Si[5])(N[5a]C[5a,6a]C)(C[5]C[5]SiH)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(Si[5]C[5]CC){1|Si<4>,1|C<4>,3|C<3>,3|H<1>}	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(CH3)2{1|Si<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,5a](C[5,5a]C[5a,6a]Si[5])(N[5a]C[5a,6a]C)(C[5]C[5]SiH){1|H<1>,2|C<4>,3|C<3>}	109.5680	0.000	1	109.5680	0.000	1	109.5680	0.000	1	109.5680	0.000	1	109.3469	3.124	38	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,5a]	Si[5]	C[5,5a]	3:3:4:	4:3:3:3:	4:3:2:	C[5a,6a]-3:C[5,5a]-3:Si[5]-4:	C[4,5,5]-4:C[5,5a]-3:C[6a]-3:C[6a]-3:	C[4,5,5]-4:C[5,5a]-3:O[5a]-2:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[4,5,5]O[5a])(Si[5]C[4,5,5]C[6a]2)	Si[5](C[4,5,5]C[4,5,5]2C[5,6a])(C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)2	C[5,5a](C[4,5,5]C[4,5,5]2O[5])(C[5,5a]C[5a,6a]Si[5])(O[5a]C[5a,6a])	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[4,5,5]O[5a])(Si[5]C[4,5,5]C[6a]2){1|H<1>,1|O<2>,2|C<4>,7|C<3>}	Si[5](C[4,5,5]C[4,5,5]2C[5,6a])(C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)2{1|C<4>,3|O<2>,4|H<1>,9|C<3>}	C[5,5a](C[4,5,5]C[4,5,5]2O[5])(C[5,5a]C[5a,6a]Si[5])(O[5a]C[5a,6a]){1|Si<4>,1|C<4>,7|C<3>}	109.9850	0.000	1	109.9850	0.000	1	109.9850	0.000	1	109.9850	0.000	1	109.3469	3.124	38	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,5a]	Si[5]	C[5,5a]	3:4:2:	3:3:4:4:	3:3:3:	C[5,5a]-3:Si[5]-4:S[5a]-2:	C[5,5a]-3:C[5,5a]-3:C-4:C-4:	C[5,5a]-3:C[5,5a]-3:C[5a]-3:	C[5,5a](C[5,5a]C[5,5a]C[5a])(Si[5]C[5,5a]CC)(S[5a]C[5a])	Si[5](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5,5a]S[5a])(CH3)2	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5,5a]S[5a]Si[5])(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]C[5a])(Si[5]C[5,5a]CC)(S[5a]C[5a]){1|Br<1>,1|H<1>,2|C<3>}	Si[5](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5,5a]S[5a])(CH3)2{1|Si<4>,1|S<2>,3|C<3>}	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5,5a]S[5a]Si[5])(C[5a]C[5a]H){2|Br<1>,1|C<3>,1|S<2>,2|C<4>}	112.8710	0.000	1	112.2678	0.166	8	112.2678	0.166	8	112.2678	0.166	8	109.3469	3.124	38	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,5a]	Si[5]	C[5,5a]	3:4:2:	3:3:4:4:	3:3:3:	C[5,5a]-3:Si[5]-4:S[5a]-2:	C[5,5a]-3:C[5,5a]-3:C-4:C-4:	C[5,5a]-3:C[5,5a]-3:C[5a]-3:	C[5,5a](C[5,5a]C[5,5a]C[5a])(Si[5]C[5,5a]CC)(S[5a]C[5a])	Si[5](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5,5a]S[5a])(CH3)2	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5,5a]S[5a]Si[5])(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]C[5a])(Si[5]C[5,5a]CC)(S[5a]C[5a]){1|H<1>,3|C<3>}	Si[5](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5,5a]S[5a])(CH3)2{1|Si<4>,1|S<2>,3|C<3>}	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5,5a]S[5a]Si[5])(C[5a]C[5a]H){1|Si<4>,1|S<2>,2|C<3>,2|C<4>}	111.8660	0.000	1	112.2678	0.166	8	112.2678	0.166	8	112.2678	0.166	8	109.3469	3.124	38	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,5a]	Si[5]	C[5,5a]	3:4:2:	3:3:4:4:	3:3:3:	C[5,5a]-3:Si[5]-4:S[5a]-2:	C[5,5a]-3:C[5,5a]-3:C-4:C-4:	C[5,5a]-3:C[5,5a]-3:C[5a]-3:	C[5,5a](C[5,5a]C[5,5a]C[5a])(Si[5]C[5,5a]CC)(S[5a]C[5a])	Si[5](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5,5a]S[5a])(CH3)2	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5,5a]S[5a]Si[5])(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]C[5a])(Si[5]C[5,5a]CC)(S[5a]C[5a]){1|Si<4>,1|H<1>,2|C<3>}	Si[5](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5,5a]S[5a])(CH3)2{1|Si<4>,1|S<2>,3|C<3>}	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5,5a]S[5a]Si[5])(C[5a]C[5a]H){1|Br<1>,1|Si<4>,1|C<3>,1|S<2>,2|C<4>}	112.2730	0.670	2	112.2678	0.166	8	112.2678	0.166	8	112.2678	0.166	8	109.3469	3.124	38	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,5a]	Si[5]	C[5,5a]	3:4:2:	3:3:4:4:	3:3:3:	C[5,5a]-3:Si[5]-4:S[5a]-2:	C[5,5a]-3:C[5,5a]-3:C-4:C-4:	C[5,5a]-3:C[5,5a]-3:C[5a]-3:	C[5,5a](C[5,5a]C[5,5a]C[5a])(Si[5]C[5,5a]CC)(S[5a]C[5a])	Si[5](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5,5a]S[5a])(CH3)2	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5,5a]S[5a]Si[5])(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]C[5a])(Si[5]C[5,5a]CC)(S[5a]C[5a]){1|Si<4>,1|H<1>,2|C<3>}	Si[5](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5,5a]S[5a])(CH3)2{1|Si<4>,1|S<2>,3|C<3>}	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5,5a]S[5a]Si[5])(C[5a]C[5a]H){2|Si<4>,1|C<3>,1|S<2>,2|C<4>}	112.0030	0.000	1	112.2678	0.166	8	112.2678	0.166	8	112.2678	0.166	8	109.3469	3.124	38	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,5a]	Si[5]	C[5,5a]	3:4:2:	3:3:4:4:	3:3:3:	C[5,5a]-3:Si[5]-4:S[5a]-2:	C[5,5a]-3:C[5,5a]-3:C-4:C-4:	C[5,5a]-3:C[5,5a]-3:C[5a]-3:	C[5,5a](C[5,5a]C[5,5a]C[5a])(Si[5]C[5,5a]CC)(S[5a]C[5a])	Si[5](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5,5a]S[5a])(CH3)2	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5,5a]S[5a]Si[5])(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]C[5a])(Si[5]C[5,5a]CC)(S[5a]C[5a]){2|C<3>,2|H<1>}	Si[5](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5,5a]S[5a])(CH3)2{1|Si<4>,1|S<2>,3|C<3>}	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5,5a]S[5a]Si[5])(C[5a]C[5a]H){1|H<1>,1|S<2>,2|C<3>,2|C<4>}	112.1595	0.152	2	112.2678	0.166	8	112.2678	0.166	8	112.2678	0.166	8	109.3469	3.124	38	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,5a]	Si[5]	C[5,5a]	3:4:2:	3:3:4:4:	3:3:3:	C[5,5a]-3:Si[5]-4:S[5a]-2:	C[5,5a]-3:C[5,5a]-3:C-4:C-4:	C[5,5a]-3:C[5,5a]-3:C[5a]-3:	C[5,5a](C[5,5a]C[5,5a]C[5a])(Si[5]C[5,5a]CC)(S[5a]C[5a])	Si[5](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5,5a]S[5a])(CH3)2	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5,5a]S[5a]Si[5])(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]C[5a])(Si[5]C[5,5a]CC)(S[5a]C[5a]){2|C<3>,2|H<1>}	Si[5](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5,5a]S[5a])(CH3)2{1|Si<4>,1|S<2>,3|C<3>}	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5,5a]S[5a]Si[5])(C[5a]C[5a]H){1|Si<4>,1|C<3>,1|H<1>,1|S<2>,2|C<4>}	112.5370	0.000	1	112.2678	0.166	8	112.2678	0.166	8	112.2678	0.166	8	109.3469	3.124	38	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,5a]	Si[5]	C[5,5a]	3:4:3:	3:3:3:3:	3:3:2:	C[5,5a]-3:Si[5]-4:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a](C[5,5a]C[5,5a]S[5a])(Si[5]C[5,5a]C[6a]2)(C[5a]C[5a]H)	Si[5](C[5,5a]C[5,5a]C[5a])2(C[6a]C[6a]2)2	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]Si[5])(S[5a]C[5a])	C[5,5a](C[5,5a]C[5,5a]S[5a])(Si[5]C[5,5a]C[6a]2)(C[5a]C[5a]H){1|S<2>,6|C<3>}	Si[5](C[5,5a]C[5,5a]C[5a])2(C[6a]C[6a]2)2{2|S<2>,6|C<3>,6|H<1>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]Si[5])(S[5a]C[5a]){1|H<1>,5|C<3>}	107.4080	0.557	2	107.4550	0.162	3	107.4550	0.162	3	107.4550	0.162	3	109.3469	3.124	38	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,5a]	Si[5]	C[5,5a]	3:4:3:	3:3:3:3:	3:3:2:	C[5,5a]-3:Si[5]-4:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a](C[5,5a]C[5,5a]S[5a])(Si[5]C[5,5a]C[6a]2)(C[5a]C[5a]H)	Si[5](C[5,5a]C[5,5a]C[5a])2(C[6a]C[6a]2)2	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]Si[5])(S[5a]C[5a])	C[5,5a](C[5,5a]C[5,5a]S[5a])(Si[5]C[5,5a]C[6a]2)(C[5a]C[5a]H){2|S<2>,5|C<3>}	Si[5](C[5,5a]C[5,5a]C[5a])2(C[6a]C[6a]2)2{2|S<2>,6|C<3>,6|H<1>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]Si[5])(S[5a]C[5a]){1|H<1>,1|S<2>,4|C<3>}	107.5490	0.000	1	107.4550	0.162	3	107.4550	0.162	3	107.4550	0.162	3	109.3469	3.124	38	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,5a]	Si[5]	C[5,5a]	3:4:3:	3:3:4:4:	3:3:3:	C[5,5a]-3:Si[5]-4:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:C-4:C-4:	C[5,5a]-3:C[5,5a]-3:C[5a]-3:	C[5,5a](C[5,5a]C[5,5a]C[5a])(Si[5]C[5,5a]CC)(C[5a]S[5a]Si)	Si[5](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5,5a]S[5a])(CH3)2	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5a]Si[5])(C[5a]C[5a]S[5a])	C[5,5a](C[5,5a]C[5,5a]C[5a])(Si[5]C[5,5a]CC)(C[5a]S[5a]Si){1|S<2>,2|C<3>}	Si[5](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5,5a]S[5a])(CH3)2{1|Si<4>,1|S<2>,3|C<3>}	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5a]Si[5])(C[5a]C[5a]S[5a]){1|Si<4>,1|H<1>,2|C<3>,2|C<4>,2|S<2>}	108.7655	0.145	2	108.7655	0.021	2	109.0634	0.798	8	109.0634	0.798	8	109.3469	3.124	38	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,5a]	Si[5]	C[5,5a]	3:4:3:	3:3:4:4:	3:3:3:	C[5,5a]-3:Si[5]-4:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:C-4:C-4:	C[5,5a]-3:C[5,5a]-3:C[5a]-3:	C[5,5a](C[5,5a]C[5,5a]C[5a])(Si[5]C[5,5a]CC)(C[5a]S[5a]Si)	Si[5](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5,5a]S[5a])(CH3)2	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5a]Si[5])(C[5a]S[5a]Br)	C[5,5a](C[5,5a]C[5,5a]C[5a])(Si[5]C[5,5a]CC)(C[5a]S[5a]Si){1|Br<1>,1|C<3>,1|S<2>}	Si[5](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5,5a]S[5a])(CH3)2{1|Si<4>,1|S<2>,3|C<3>}	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5a]Si[5])(C[5a]S[5a]Br){1|Si<4>,1|C<3>,1|H<1>,1|S<2>,2|C<4>}	108.3570	0.232	3	108.3570	0.054	3	109.0634	0.798	8	109.0634	0.798	8	109.3469	3.124	38	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,5a]	Si[5]	C[5,5a]	3:4:3:	3:3:4:4:	3:3:3:	C[5,5a]-3:Si[5]-4:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:C-4:C-4:	C[5,5a]-3:C[5,5a]-3:C[5a]-3:	C[5,5a](C[5,5a]C[5,5a]C[5a])(Si[5]C[5,5a]CC)(C[5a]S[5a]Si)	Si[5](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5,5a]S[5a])(CH3)2	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5a]Si[5])(C[5a]S[5a]Si)	C[5,5a](C[5,5a]C[5,5a]C[5a])(Si[5]C[5,5a]CC)(C[5a]S[5a]Si){1|Si<4>,1|C<3>,1|S<2>}	Si[5](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5,5a]S[5a])(CH3)2{1|Si<4>,1|S<2>,3|C<3>}	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5a]Si[5])(C[5a]S[5a]Si){1|Si<4>,1|C<3>,1|H<1>,1|S<2>,2|C<4>}	109.9683	0.815	3	109.9683	0.664	3	109.0634	0.798	8	109.0634	0.798	8	109.3469	3.124	38	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5,5]	C[5,6a,6a]	4:3:3:	3:3:4:3:	3:3:3:	Si[5,5]-4:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a]-3:C[5,6a]-3:Si[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](Si[5,5]C[5,6a]Si[5,5]C[6a])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])	Si[5,5](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a,6a]C[6a])(Si[5,5]C[5,6a]2C[6a])(C[6a]C[6a]2)	C[5,6a,6a](C[5,6a]C[6a,6a]Si[5,5])(C[5,6a]Si[5,5]C[6a])(C[6a,6a]C[6a]2)	C[5,6a](Si[5,5]C[5,6a]Si[5,5]C[6a])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a]){11|C<3>,1|H<1>}	Si[5,5](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a,6a]C[6a])(Si[5,5]C[5,6a]2C[6a])(C[6a]C[6a]2){11|C<3>,3|H<1>}	C[5,6a,6a](C[5,6a]C[6a,6a]Si[5,5])(C[5,6a]Si[5,5]C[6a])(C[6a,6a]C[6a]2){3|H<1>,7|C<3>}	115.8890	0.062	2	115.8890	0.004	2	115.8890	0.004	2	115.5160	0.189	4	115.5160	0.189	4	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5,5]	C[5,6a,6a]	4:3:3:	3:3:4:3:	3:3:3:	Si[5,5]-4:C[5,6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:Si[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](Si[5,5]C[5,6a]Si[5,5]C[6a])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	Si[5,5](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a,6a]C[6a])(Si[5,5]C[5,6a]2C[6a])(C[6a]C[6a]2)	C[5,6a,6a](C[5,6a]C[6a,6a]Si[5,5])(C[5,6a]Si[5,5]C[6a])(C[6a,6a]C[6a]2)	C[5,6a](Si[5,5]C[5,6a]Si[5,5]C[6a])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,9|C<3>}	Si[5,5](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a,6a]C[6a])(Si[5,5]C[5,6a]2C[6a])(C[6a]C[6a]2){11|C<3>,3|H<1>}	C[5,6a,6a](C[5,6a]C[6a,6a]Si[5,5])(C[5,6a]Si[5,5]C[6a])(C[6a,6a]C[6a]2){3|H<1>,7|C<3>}	115.1430	0.074	2	115.1430	0.005	2	115.1430	0.005	2	115.5160	0.189	4	115.5160	0.189	4	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5,5]	C[5,6a]	3:4:3:	3:3:2:2:	3:3:4:	C[6a,6a]-3:Si[5,5]-4:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(Si[5,5]C[5,6a]O[5]2)(C[5,6a]C[6a]C[5])	Si[5,5](C[5,6a]C[6a,6a]C[5,6a])2(O[5]C[5])2	C[5,6a](C[5,6a]C[6a,6a]Si[5,5])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(Si[5,5]C[5,6a]O[5]2)(C[5,6a]C[6a]C[5]){2|H<1>,3|C<4>,5|C<3>}	Si[5,5](C[5,6a]C[6a,6a]C[5,6a])2(O[5]C[5])2{4|C<4>,6|C<3>}	C[5,6a](C[5,6a]C[6a,6a]Si[5,5])(C[6a]C[6a]H)(C[5]O[5]CC){1|H<1>,1|O<2>,3|C<3>}	107.4770	0.205	2	107.4770	0.042	2	107.4770	0.042	2	107.4770	0.042	2	109.2081	3.313	28	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5,5]	C[5,6a]	3:4:3:	3:3:3:3:	3:3:3:	C[5,6a]-3:Si[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5,5]C[5,6a]3)(C[6a]C[6a]2)	Si[5,5](C[5,6a]C[5,6a]C[6a])4	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Si[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5,5]C[5,6a]3)(C[6a]C[6a]2){2|H<1>,9|C<3>}	Si[5,5](C[5,6a]C[5,6a]C[6a])4{10|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Si[5,5]C[6a])(C[6a]C[6a]H){1|H<1>,7|C<3>}	108.6410	0.259	2	108.6410	0.067	2	109.7376	2.854	22	109.7376	2.854	22	109.2081	3.313	28	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5,5]	C[5,6a]	3:4:3:	3:3:3:3:	3:3:3:	C[5,6a]-3:Si[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5,5]C[5,6a]3)(C[6a]C[6a]H)	Si[5,5](C[5,6a]C[5,6a]C[6a])4	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Si[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5,5]C[5,6a]3)(C[6a]C[6a]H){1|Br<1>,1|H<1>,7|C<3>}	Si[5,5](C[5,6a]C[5,6a]C[6a])4{4|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Si[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	108.9537	0.241	4	109.8473	3.012	20	109.7376	2.854	22	109.7376	2.854	22	109.2081	3.313	28	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5,5]	C[5,6a]	3:4:3:	3:3:3:3:	3:3:3:	C[5,6a]-3:Si[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5,5]C[5,6a]3)(C[6a]C[6a]H)	Si[5,5](C[5,6a]C[5,6a]C[6a])4	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Si[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5,5]C[5,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	Si[5,5](C[5,6a]C[5,6a]C[6a])4{10|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Si[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	109.1690	0.354	2	109.8473	3.012	20	109.7376	2.854	22	109.7376	2.854	22	109.2081	3.313	28	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5,5]	C[5,6a]	3:4:3:	3:3:3:3:	3:3:3:	C[5,6a]-3:Si[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5,5]C[5,6a]3)(C[6a]C[6a]H)	Si[5,5](C[5,6a]C[5,6a]C[6a])4	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Si[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5,5]C[5,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	Si[5,5](C[5,6a]C[5,6a]C[6a])4{4|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Si[5,5]C[6a])(C[6a]C[6a]H){1|Br<1>,2|H<1>,5|C<3>}	108.8693	0.211	4	109.8473	3.012	20	109.7376	2.854	22	109.7376	2.854	22	109.2081	3.313	28	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5,5]	C[5,6a]	3:4:3:	3:3:3:3:	3:3:3:	C[5,6a]-3:Si[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5,5]C[5,6a]3)(C[6a]C[6a]H)	Si[5,5](C[5,6a]C[5,6a]C[6a])4	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Si[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5,5]C[5,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	Si[5,5](C[5,6a]C[5,6a]C[6a])4{4|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Si[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	110.7316	2.135	10	109.8473	3.012	20	109.7376	2.854	22	109.7376	2.854	22	109.2081	3.313	28	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5,5]	C[5,6a]	4:3:3:	3:3:2:2:	3:3:4:	Si[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](Si[5,5]C[5,6a]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	Si[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2	C[5,6a](C[5,6a]Si[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5,6a](Si[5,5]C[5,6a]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){2|H<1>,3|C<3>,3|C<4>}	Si[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2{4|C<3>,6|C<4>}	C[5,6a](C[5,6a]Si[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	107.5290	0.027	2	107.5290	0.001	2	107.5290	0.001	2	107.5290	0.001	2	109.2081	3.313	28	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5,5]	C[5,6a]	4:3:3:	3:4:4:2:	3:4:3:	Si[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[5]-4:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](Si[5,5]C[5]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	Si[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si2)2(O[5]C[5])	C[5,6a](C[5,6a]Si[5,5]C[6a])(C[5]C[6a]O[5]H)(C[6a]C[6a]H)	C[5,6a](Si[5,5]C[5]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|Si<4>,2|C<3>,2|C<4>,3|H<1>}	Si[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si2)2(O[5]C[5]){3|C<3>,6|H<1>}	C[5,6a](C[5,6a]Si[5,5]C[6a])(C[5]C[6a]O[5]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	106.6880	0.000	1	106.6880	0.000	1	106.6880	0.000	1	106.6880	0.000	1	109.2081	3.313	28	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5,5]	C[5,6a]	4:3:3:	5:3:3:2:	3:4:3:	Si[5,5]-4:C[5,6a]-3:C[6a]-3:	C[3x3,4x5,12x6]-5:C[5,6a]-3:N[5]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](Si[5,5]C[3x3,4x5,12x6]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	Si[5,5](C[3x3,4x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,4x5,12x6])(C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O[5]C[5])	C[5,6a](C[5,6a]Si[5,5]C[6a])(C[5]C[6a]O[5]H)(C[6a]C[6a]H)	C[5,6a](Si[5,5]C[3x3,4x5,12x6]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|B<5>,1|C<4>,1|C<5>,2|B<6>,3|C<3>,3|H<1>}	Si[5,5](C[3x3,4x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,4x5,12x6])(C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O[5]C[5]){1|N<2>,3|C<3>,5|B<6>,5|H<1>}	C[5,6a](C[5,6a]Si[5,5]C[6a])(C[5]C[6a]O[5]H)(C[6a]C[6a]H){1|C<5>,1|N<3>,2|H<1>,3|C<3>}	106.8990	0.000	1	106.8990	0.000	1	106.8990	0.000	1	106.8990	0.000	1	109.2081	3.313	28	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5,6]	C[5,6a]	4:3:3:	3:3:3:3:	3:3:3:	Si[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:N[6]-3:N[6]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](Si[5,6]N[5]N[6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	Si[5,6](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(N[6]C[6a]C[6])2	C[5,6a](C[5,6a]Si[5,6]C[6a])(C[6a]C[6a]H)(N[5]N[5]H)	C[5,6a](Si[5,6]N[5]N[6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){3|H<1>,6|C<3>}	Si[5,6](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(N[6]C[6a]C[6])2{10|C<3>,1|C<4>,2|H<1>}	C[5,6a](C[5,6a]Si[5,6]C[6a])(C[6a]C[6a]H)(N[5]N[5]H){2|C<3>,2|H<1>,2|N<3>}	108.0980	0.000	1	108.0980	0.000	1	108.0980	0.000	1	108.0980	0.000	1	108.8590	0.612	3	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5,6]	C[5,6a]	4:3:3:	3:3:4:4:	3:3:3:	Si[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6]-4:C[6]-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](Si[5,6]C[5,6a]C[6]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	Si[5,6](C[5,6a]C[5,6a]C[6a])2(C[6]C[6]HH)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Si[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](Si[5,6]C[5,6a]C[6]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,6|H<1>}	Si[5,6](C[5,6a]C[5,6a]C[6a])2(C[6]C[6]HH)2{1|Si<4>,4|C<3>,6|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Si[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	109.2395	0.596	2	109.2395	0.355	2	109.2395	0.355	2	109.2395	0.355	2	108.8590	0.612	3	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[5,6a,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[3x6a]-3:C[5,6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(Si[5]C[5,6a]CC)(C[6a]C[6,6a]H)	Si[5](C[5,6a]C[5,6a,6a]C[6a])2(CCHH)2	C[5,6a,6a](C[3x6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[6a]Si[5])	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(Si[5]C[5,6a]CC)(C[6a]C[6,6a]H){5|C<3>}	Si[5](C[5,6a]C[5,6a,6a]C[6a])2(CCHH)2{2|H<1>,4|C<3>}	C[5,6a,6a](C[3x6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[6a]Si[5]){1|H<1>,2|C<4>,6|C<3>}	106.5355	0.114	2	106.5355	0.013	2	106.5355	0.013	2	106.5258	1.105	18	106.5258	1.105	18	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[5,6a,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(Si[5]C[5,6a]CC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a,6a]C[6a])2(CH3)2	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])2(C[5,6a]C[6a]Si[5])	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(Si[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	Si[5](C[5,6a]C[5,6a,6a]C[6a])2(CH3)2{2|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])2(C[5,6a]C[6a]Si[5]){1|Si<4>,1|H<1>,2|C<4>,5|C<3>}	105.9262	0.346	12	105.9262	0.120	12	105.9262	0.120	12	106.5258	1.105	18	106.5258	1.105	18	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[5,6a,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a,6a]C[6a])2(CH3)2	C[5,6a,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]Si[5])	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	Si[5](C[5,6a]C[5,6a,6a]C[6a])2(CH3)2{2|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]Si[5]){2|C<4>,2|H<1>,5|C<3>}	108.2030	0.226	2	108.2030	0.051	2	108.2030	0.051	2	106.5258	1.105	18	106.5258	1.105	18	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[5,6a,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(Si[5]C[5]CC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C)(CH3)2	C[5,6a,6a](C[5,6a]C[6a]Si[5])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(Si[5]C[5]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	Si[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C)(CH3)2{1|H<1>,3|C<3>}	C[5,6a,6a](C[5,6a]C[6a]Si[5])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){2|C<4>,3|C<3>,4|H<1>}	108.4370	0.386	2	108.4370	0.149	2	108.4370	0.149	2	106.5258	1.105	18	106.5258	1.105	18	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:3:4:	3:2:4:4:	3:4:3:	C[5,6a]-3:C[6a]-3:Si[5]-4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]Si)(Si[5]O[5]CC)	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5])(CH3)2	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]Si)(Si[5]O[5]CC){1|C<3>,2|C<4>,2|H<1>}	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5])(CH3)2{1|Si<4>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|H<1>,2|C<4>}	109.9750	0.000	1	109.9750	0.000	1	109.9750	0.000	1	109.9750	0.000	1	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:3:4:	3:3:3:4:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:Si[5]-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]C)	Si[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CC3)	C[5,6a](C[5,6a]C[6a,6a]Si[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]C){2|H<1>,7|C<3>}	Si[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CC3){3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a,6a]Si[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	108.4800	0.017	4	108.4800	0.000	4	108.4800	0.000	4	108.4800	0.000	4	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:3:4:	3:3:4:2:	3:3:3:	C[5,6a]-3:C[6a]-3:Si[5]-4:	C[5,6a]-3:C[5,6a]-3:C-4:C-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(Si[5]C[5,6a]CC)	Si[5](C[5,6a]C[5,6a]C[6a])2(CC3)(CC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(Si[5]C[5,6a]CC){1|C<4>,6|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])2(CC3)(CC){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]C){1|C<2>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	108.8480	0.000	1	108.8480	0.000	1	108.8480	0.000	1	108.8480	0.000	1	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:3:4:	3:3:4:4:	3:3:3:	C[5,6a]-3:C[6a]-3:Si[5]-4:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6,6a]C[6a])(Si[5]C[5,6a]CC)	Si[5](C[5,6a]C[5,6a]C[6a])2(CH3)2	C[5,6a](C[6a,6a]C[6,6a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6,6a]C[6a])(Si[5]C[5,6a]CC){7|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])2(CH3)2{1|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[6,6a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5]){1|H<1>,2|C<4>,7|C<3>}	110.4275	0.095	2	110.4275	0.009	2	110.4275	0.009	2	109.2580	4.108	3	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:3:4:	3:3:4:4:	3:3:3:	C[5,6a]-3:C[6a]-3:Si[5]-4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(Si[5]C[5]CC)	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CH3)2	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(Si[5]C[5]CC){2|H<1>,3|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CH3)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H)(C[5]C[5]H){1|Si<4>,1|H<1>,2|C<3>,2|C<4>}	106.9190	0.000	1	106.9190	0.000	1	106.9190	0.000	1	109.2580	4.108	3	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:3:4:	3:4:4:4:	3:3:2:	C[5,6a]-3:C[6a]-3:Si[5]-4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(Si[5]C[5]CC)	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CH3)2	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(Si[5]C[5]CC){1|C<3>,1|O<2>,3|H<1>}	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CH3)2{1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|Si<4>,1|C<3>,2|C<4>,3|H<1>}	108.6140	0.000	1	108.6140	0.000	1	108.6140	0.000	1	108.6140	0.000	1	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:2:4:4:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5,6a]-3:C[6a]-3:B[5]-3:	C[5,6a](C[5,6a]C[6a]B[5])(Si[5]O[5]CC)(C[6a]C[6a]F)	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(CH3)2	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]F)(B[5]O[5]O)	C[5,6a](C[5,6a]C[6a]B[5])(Si[5]O[5]CC)(C[6a]C[6a]F){1|C<3>,1|O<2>,2|F<1>}	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(CH3)2{1|F<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]F)(B[5]O[5]O){1|C<3>,2|C<4>,2|F<1>}	108.1210	0.000	1	108.1210	0.000	1	108.1210	0.000	1	107.7420	0.287	2	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:2:4:4:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]O[5]CC)(C[6a]C[6a]F)	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)2	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]O[5]CC)(C[6a]C[6a]F){1|C<3>,1|O<1>,2|H<1>}	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)2{1|F<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	107.3630	0.000	1	107.3630	0.000	1	107.3630	0.000	1	107.7420	0.287	2	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:2:4:4:	3:3:4:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]O[5]CC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCCH)2	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]O[5]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCCH)2{1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,2|C<4>,2|H<1>}	108.1310	0.027	2	108.1310	0.001	2	107.8193	0.292	3	109.4633	11.004	4	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:2:4:4:	3:3:4:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]O[5]CC)(C[6a]N[6a]C)	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)2	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]O[5]CC)(C[6a]N[6a]C){1|C<3>,3|H<1>}	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|N<2>,4|C<4>}	107.1960	0.000	1	107.1960	0.000	1	107.8193	0.292	3	109.4633	11.004	4	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:2:4:4:	3:3:4:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5,6a]-3:C[6a]-3:Si[5]-4:	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5])(CH3)2	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]Si)(Si[5]O[5]CC)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|H<1>,2|C<4>}	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5])(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]Si)(Si[5]O[5]CC){1|C<3>,2|C<4>,2|H<1>}	114.3950	0.000	1	114.3950	0.000	1	114.3950	0.000	1	109.4633	11.004	4	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:2:4:4:	3:4:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]B[5,5]C[6a])(Si[5]O[5]CC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5,5])(CH3)2	C[5,6a](C[5,6a]C[6a]Si[5])(B[5,5]N[5]O[5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]B[5,5]C[6a])(Si[5]O[5]CC)(C[6a]C[6a]H){1|C<3>,1|N<4>,1|O<2>,2|H<1>}	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5,5])(CH3)2{1|H<1>,1|N<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]Si[5])(B[5,5]N[5]O[5]2)(C[6a]C[6a]H){1|C<3>,2|H<1>,6|C<4>}	107.1460	0.127	2	107.1460	0.016	2	107.1460	0.016	2	110.6865	5.755	17	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:2:4:4:	3:4:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]B[5])(Si[5]O[5]CC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(CH3)2	C[5,6a](C[5,6a]C[6a]Si[5])(B[5]C[6a]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]B[5])(Si[5]O[5]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(CH3)2{1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]Si[5])(B[5]C[6a]2O[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	107.6790	0.851	2	107.6790	0.725	2	107.6790	0.725	2	110.6865	5.755	17	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:2:4:4:	3:4:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]O[5]CC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)2	C[5,6a](C[5,6a]C[6a]Si[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]O[5]CC)(C[6a]C[6a]H){2|C<3>,3|H<1>}	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)2{2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	106.1350	0.000	1	106.1350	0.000	1	106.1350	0.000	1	110.6865	5.755	17	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:2:4:4:	3:4:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5])(CH3)2	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5])(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	112.1000	0.468	3	112.1571	0.138	12	112.1571	0.138	12	110.6865	5.755	17	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:2:4:4:	3:4:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5])(CH3)2	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5])(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	112.4605	0.035	2	112.1571	0.138	12	112.1571	0.138	12	110.6865	5.755	17	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:2:4:4:	3:4:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5])(CH3)2	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5])(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	112.2453	0.499	3	112.1571	0.138	12	112.1571	0.138	12	110.6865	5.755	17	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:2:4:4:	3:4:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5])(CH3)2	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5])(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	112.3140	0.000	1	112.1571	0.138	12	112.1571	0.138	12	110.6865	5.755	17	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:2:4:4:	3:4:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5])(CH3)2	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5])(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	111.7550	0.098	2	112.1571	0.138	12	112.1571	0.138	12	110.6865	5.755	17	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:2:4:4:	3:4:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5])(CH3)2	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5])(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	112.1040	0.000	1	112.1571	0.138	12	112.1571	0.138	12	110.6865	5.755	17	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:2:4:4:	4:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:O[5]-2:C-4:C-4:	B[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]B[5,5]C[6a])(Si[5]O[5]CC)(C[6a]C[6a]F)	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5,5])(CH3)2	C[5,6a](B[5,5]C[5,6a]O[5]2)(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]B[5,5]C[6a])(Si[5]O[5]CC)(C[6a]C[6a]F){1|O<2>,2|C<3>,2|H<1>}	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5,5])(CH3)2{1|F<1>,1|O<2>,3|C<3>}	C[5,6a](B[5,5]C[5,6a]O[5]2)(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){1|Si<4>,1|F<1>,1|H<1>,2|C<4>,3|C<3>}	109.8060	0.109	2	109.8060	0.012	2	109.8060	0.012	2	109.8060	0.012	2	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:3:1:1:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:Cl-1:Cl-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]Cl2)(C[6a]C[6a]2)	Si[5](C[5,6a]C[5,6a]C[6a])2(Cl)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]Cl2)(C[6a]C[6a]2){2|H<1>,5|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])2(Cl)2{1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|Cl<1>,1|H<1>,5|C<3>}	107.2690	0.000	1	107.2690	0.000	1	107.3250	0.050	3	107.3250	0.050	3	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:3:1:1:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:Cl-1:Cl-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]Cl2)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])2(Cl)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]Cl2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])2(Cl)2{1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|Cl<1>,3|C<3>,3|H<1>}	107.5710	0.000	1	107.3530	0.095	2	107.3250	0.050	3	107.3250	0.050	3	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:3:1:1:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:Cl-1:Cl-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]Cl2)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])2(Cl)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]Cl2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])2(Cl)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|Cl<1>,3|C<3>,3|H<1>}	107.1350	0.000	1	107.3530	0.095	2	107.3250	0.050	3	107.3250	0.050	3	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:3:2:2:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:O-2:O-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]OO)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])2(OAl)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]OO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])2(OAl)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|O<2>,3|C<3>,3|H<1>}	109.0225	0.315	2	109.0225	0.099	2	108.2619	0.255	8	108.0744	0.391	10	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:3:2:2:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:O-2:O-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]OO)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])2(OSi)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]OO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])2(OSi)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|O<2>,3|C<3>,3|H<1>}	108.0083	0.167	6	108.0083	0.028	6	108.2619	0.255	8	108.0744	0.391	10	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:3:2:2:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:O-2:O-2:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(Si[5]C[5,6a]OO)(C[6a]C[6a]2)	Si[5](C[5,6a]C[5,6a]C[6a])2(OH)2	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]Si[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(Si[5]C[5,6a]OO)(C[6a]C[6a]2){1|H<1>,6|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])2(OH)2{6|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]Si[5]){1|H<1>,2|O<2>,7|C<3>}	107.3245	0.573	2	107.3245	0.329	2	107.3245	0.329	2	108.0744	0.391	10	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:B[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[6a]B[5]H)(C[6a]C[6a]C)	Si[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(B[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(C[5]B[5]Si2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[6a]B[5]H)(C[6a]C[6a]C){2|Si<4>,1|O<2>,2|H<1>,3|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(B[5]C[5]O)(H){2|Si<4>,3|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[5]B[5]Si2)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	112.5600	0.000	1	112.5600	0.000	1	112.5600	0.000	1	112.5600	0.000	1	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:3:3:3:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]2)(C[6a]C[5,6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]2)(C[6a]C[5,6a]H){1|H<1>,8|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{6|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H){1|Si<4>,2|H<1>,5|C<3>}	108.7700	0.000	1	108.7700	0.000	1	109.2229	0.187	14	108.6889	0.888	20	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:3:3:3:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]2)(C[6a]C[6a]2)	Si[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]2)(C[6a]C[6a]2){2|H<1>,9|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{5|H<1>,9|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){1|H<1>,7|C<3>}	109.1600	0.000	1	109.1600	0.000	1	109.2229	0.187	14	108.6889	0.888	20	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:3:3:3:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{5|H<1>,9|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	109.5040	0.000	1	109.1878	0.201	10	109.2229	0.187	14	108.6889	0.888	20	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:3:3:3:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{6|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	109.5665	0.112	2	109.1878	0.201	10	109.2229	0.187	14	108.6889	0.888	20	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:3:3:3:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{6|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	109.0344	0.455	7	109.1878	0.201	10	109.2229	0.187	14	108.6889	0.888	20	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:3:3:3:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]2)(C[6a]N[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]2)(C[6a]N[6a]H){1|H<1>,7|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{2|N<2>,6|C<3>,6|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	109.6565	0.153	2	109.6565	0.024	2	109.2229	0.187	14	108.6889	0.888	20	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:3:3:3:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[6a]2C[5])(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)2	C[5,6a](C[5,6a]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[6a]2C[5])(C[6a]C[6a]H){2|H<1>,7|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)2{5|H<1>,9|C<3>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,6|C<3>}	107.5075	0.601	4	107.5075	0.361	4	107.5075	0.361	4	108.6889	0.888	20	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:3:3:3:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[6a]2C[5])(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[6a]2C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]C){6|C<3>,6|H<1>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<4>,2|H<1>,3|C<3>}	107.3135	0.035	2	107.3135	0.001	2	107.3135	0.001	2	108.6889	0.888	20	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:3:3:4:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:C-4:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(Si[5]C[5,5a]C[6a]C)(C[6a]C[6a,6a]H)	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CH3)	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a,6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(Si[5]C[5,5a]C[6a]C)(C[6a]C[6a,6a]H){1|H<1>,1|N<3>,5|C<3>}	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CH3){1|N<3>,3|H<1>,6|C<3>}	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a,6a]H){1|H<1>,2|C<4>,5|C<3>}	110.0510	0.279	2	110.0510	0.078	2	109.9543	0.067	3	108.8407	0.778	13	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:3:3:4:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:C-4:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(Si[5]C[5,5a]C[6a]C)(C[6a]C[6a]H)	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CH3)	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(Si[5]C[5,5a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CH3){1|N<3>,3|H<1>,6|C<3>}	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	109.7610	0.000	1	109.7610	0.000	1	109.9543	0.067	3	108.8407	0.778	13	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:3:3:4:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]C)(C[6a]C[5,6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(CC3)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]C)(C[6a]C[5,6a]H){1|H<1>,6|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(CC3){4|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H){1|Si<4>,1|C<4>,2|H<1>,4|C<3>}	108.6830	0.413	2	108.6830	0.171	2	108.8211	0.040	8	108.8407	0.778	13	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:3:3:4:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]C)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(CC3)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(CC3){4|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	108.9055	0.227	2	108.9055	0.052	2	108.8211	0.040	8	108.8407	0.778	13	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:3:3:4:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]C)(C[6a]C[6a]H)	Si[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CC3)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	Si[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CC3){3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	108.8480	0.018	4	108.8480	0.000	4	108.8211	0.040	8	108.8407	0.778	13	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:3:3:4:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[6a]C[5]C)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)(CC3)	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	Si[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)(CC3){1|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,3|H<1>}	107.2485	0.363	2	107.2485	0.132	2	107.2485	0.132	2	108.8407	0.778	13	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[5]ClC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCHH)(Cl)	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[5]ClC)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCHH)(Cl){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	106.8790	0.000	1	106.8790	0.000	1	106.8790	0.000	1	106.8790	0.000	1	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:3:4:2:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C-4:C-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])2(CC3)(CC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])2(CC3)(CC){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	110.5550	0.000	1	110.5550	0.000	1	110.5550	0.000	1	110.5550	0.000	1	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,5]-3:C[5,6a]-3:C-4:C-4:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[6a]H)	Si[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(CH3)2	C[5,6a](C[5,5]C[5,5]Se[5])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[6a]H){1|Se<2>,2|C<3>,2|H<1>}	Si[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(CH3)2{1|Se<2>,1|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]Se[5])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	108.9880	0.014	2	108.9880	0.000	2	108.9880	0.000	2	109.3360	0.760	57	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,5]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[5,6a]H)	Si[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(CH3)2	C[5,6a](C[5,6a]C[6a]Si[5])(C[5,5]C[5,5]S[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[5,6a]H){1|H<1>,1|S<4>,3|C<3>}	Si[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(CH3)2{1|H<1>,1|S<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[5,5]C[5,5]S[5])(C[6a]C[5,6a]H){1|Si<4>,1|H<1>,2|C<4>,2|O<1>,3|C<3>}	109.6450	0.000	1	109.6450	0.000	1	109.2684	0.204	5	109.3360	0.760	57	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,5]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[6a]H)	Si[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(CH3)2	C[5,6a](C[5,6a]C[6a]Si[5])(C[5,5]C[5,5]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	Si[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(CH3)2{1|H<1>,1|P<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[5,5]C[5,5]P[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	109.1920	0.443	2	109.0237	0.183	3	109.2684	0.204	5	109.3360	0.760	57	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,5]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[6a]H)	Si[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(CH3)2	C[5,6a](C[5,6a]C[6a]Si[5])(C[5,5]C[5,5]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	Si[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(CH3)2{1|H<1>,1|P<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[5,5]C[5,5]P[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	108.6870	0.000	1	109.0237	0.183	3	109.2684	0.204	5	109.3360	0.760	57	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,5]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[6a]H)	Si[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(CH3)2	C[5,6a](C[5,6a]C[6a]Si[5])(C[5,5]C[5,5]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	Si[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(CH3)2{1|H<1>,1|S<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[5,5]C[5,5]S[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,2|O<1>,3|C<3>}	109.6260	0.000	1	109.6260	0.000	1	109.2684	0.204	5	109.3360	0.760	57	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C-4:C-4:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(Si[5]C[5,5a]CC)(C[6a]C[5,6a]H)	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CH3)2	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(Si[5]C[5,5a]CC)(C[6a]C[5,6a]H){1|H<1>,1|S<2>,3|C<3>}	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CH3)2{1|H<1>,1|S<2>,4|C<3>}	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H){1|Si<4>,1|H<1>,2|C<4>,3|C<3>}	108.9210	0.000	1	108.9210	0.000	1	109.8940	0.304	9	109.3360	0.760	57	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C-4:C-4:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(Si[5]C[5,5a]CC)(C[6a]C[6a]H)	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CCCH)2	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(Si[5]C[5,5a]CC)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CCCH)2{1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	109.9630	0.000	1	110.1221	0.122	7	109.8940	0.304	9	109.3360	0.760	57	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C-4:C-4:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(Si[5]C[5,5a]CC)(C[6a]C[6a]H)	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CCCH)2	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(Si[5]C[5,5a]CC)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CCCH)2{1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	110.8270	0.000	1	110.1221	0.122	7	109.8940	0.304	9	109.3360	0.760	57	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C-4:C-4:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(Si[5]C[5,5a]CC)(C[6a]C[6a]H)	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CCCH)2	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(Si[5]C[5,5a]CC)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CCCH)2{1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	110.0370	0.000	2	110.1221	0.122	7	109.8940	0.304	9	109.3360	0.760	57	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C-4:C-4:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(Si[5]C[5,5a]CC)(C[6a]C[6a]H)	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CCCH)2	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(Si[5]C[5,5a]CC)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CCCH)2{1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	109.9970	0.272	3	110.1221	0.122	7	109.8940	0.304	9	109.3360	0.760	57	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C-4:C-4:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(Si[5]C[5,5a]CC)(C[6a]C[6a]H)	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CH3)2	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(Si[5]C[5,5a]CC)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CH3)2{1|H<1>,1|S<2>,4|C<3>}	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	109.2700	0.000	1	109.2700	0.000	1	109.8940	0.304	9	109.3360	0.760	57	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])2(CH3)2	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]Si[5])(C[6a,6a]C[6a,6a]2)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])2(CH3)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]Si[5])(C[6a,6a]C[6a,6a]2){1|H<1>,2|C<4>,7|C<3>}	107.9295	0.685	2	107.9295	0.469	2	107.9295	0.469	2	109.3360	0.760	57	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[5,6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])2(CH3)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[5,6a]H){1|H<1>,4|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])2(CH3)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H){1|Si<4>,2|C<4>,2|H<1>,3|C<3>}	109.4530	0.000	1	109.4530	0.000	1	109.7364	0.332	22	109.3360	0.760	57	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]F)	Si[5](C[5,6a]C[5,6a]C[6a])2(CH3)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]F)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]F){2|F<1>,3|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])2(CH3)2{2|F<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]F){2|C<4>,3|C<3>,3|F<1>}	111.9910	0.000	1	111.9910	0.000	1	109.7364	0.332	22	109.3360	0.760	57	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])2(CH3)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H){1|B<3>,1|H<1>,3|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])2(CH3)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	109.5390	0.000	1	109.5791	0.066	17	109.7364	0.332	22	109.3360	0.760	57	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])2(CH3)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])2(CH3)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	109.2680	0.000	1	109.5791	0.066	17	109.7364	0.332	22	109.3360	0.760	57	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])2(CH3)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])2(CH3)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	109.6958	0.316	4	109.5791	0.066	17	109.7364	0.332	22	109.3360	0.760	57	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])2(CH3)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])2(CH3)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	109.5730	0.000	1	109.5791	0.066	17	109.7364	0.332	22	109.3360	0.760	57	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])2(CH3)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])2(CH3)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	109.6937	0.252	4	109.5791	0.066	17	109.7364	0.332	22	109.3360	0.760	57	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])2(CH3)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])2(CH3)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	109.4845	0.244	6	109.5791	0.066	17	109.7364	0.332	22	109.3360	0.760	57	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])2(CH3)2	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])2(CH3)2{1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	110.1420	0.055	2	109.9707	0.090	3	109.7364	0.332	22	109.3360	0.760	57	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])2(CH3)2	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])2(CH3)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	109.6280	0.000	1	109.9707	0.090	3	109.7364	0.332	22	109.3360	0.760	57	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(Si[5]C[5,6a]CC)(C[6a]C[6a,6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])2(CH3)2	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(Si[5]C[5,6a]CC)(C[6a]C[6a,6a]H){5|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])2(CH3)2{2|H<1>,4|C<3>}	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5]){2|C<4>,3|H<1>,5|C<3>}	110.6610	0.000	1	110.6610	0.000	1	110.6610	0.000	1	109.3360	0.760	57	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[5]C)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]C[5]H)(CCHH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[5]C)(C[6a]C[6a]H){3|H<1>,5|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]C[5]H)(CCHH){1|C<4>,2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	108.9335	0.202	2	108.9335	0.041	2	108.9335	0.041	2	109.3360	0.760	57	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:Si-4:Si-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]Si2)(C[6a]C[6a]2)	Si[5](C[5,6a]C[5,6a]C[6a])2(SiC3)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]Si2)(C[6a]C[6a]2){2|H<1>,5|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])2(SiC3)2{1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|Si<4>,1|H<1>,5|C<3>}	109.7680	0.000	1	109.7680	0.000	1	109.8545	0.015	2	109.3360	0.760	57	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:Si-4:Si-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]Si2)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])2(SiC3)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]Si2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])2(SiC3)2{1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|Si<4>,3|C<3>,3|H<1>}	109.9410	0.000	1	109.9410	0.000	1	109.8545	0.015	2	109.3360	0.760	57	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:Si[5]-4:Si[5]-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]Si[5]2)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])2(Si[5]C[5,6a]2Si)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]Si[5]2)(C[6a]C[6a]H){2|Si<4>,2|H<1>,7|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])2(Si[5]C[5,6a]2Si)2{12|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|Si<4>,3|C<3>,3|H<1>}	109.1455	0.028	2	109.1455	0.001	2	108.8535	0.278	8	109.3360	0.760	57	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:Si[5]-4:Si[5]-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]Si[5]2)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])2(Si[5]C[5,6a]2Si[5])(Si[5]C[5,6a]2Pd)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]Si[5]2)(C[6a]C[6a]H){1|Pd<4>,1|Si<4>,2|H<1>,7|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])2(Si[5]C[5,6a]2Si[5])(Si[5]C[5,6a]2Pd){14|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|Si<4>,3|C<3>,3|H<1>}	108.7295	0.482	2	108.7295	0.232	2	108.8535	0.278	8	109.3360	0.760	57	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:Si[5]-4:Si[5]-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]Si[5]2)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])2(Si[5]C[5,6a]2Si[5])(Si[5]C[5,6a]2Pt)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]Si[5]2)(C[6a]C[6a]H){1|Pt<4>,1|Si<4>,2|H<1>,7|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])2(Si[5]C[5,6a]2Si[5])(Si[5]C[5,6a]2Pt){14|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|Si<4>,3|C<3>,3|H<1>}	108.7695	0.704	4	108.7695	0.495	4	108.8535	0.278	8	109.3360	0.760	57	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[5]CC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CH3)2	C[5,6a](C[5,6a]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[5]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CH3)2{1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	107.6200	0.000	1	107.6200	0.000	1	107.6200	0.000	1	109.3360	0.760	57	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[5]CC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CH3)2	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[5]CC)(C[6a]C[6a]H){2|C<3>,3|H<1>}	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CH3)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]C[5]H){2|C<3>,2|C<4>,2|H<1>}	107.3470	0.091	3	107.3470	0.008	3	107.3470	0.008	3	109.3360	0.760	57	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:3:4:4:	3:4:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5]CC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]C)(CH3)2	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5]CC)(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]C)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5]CC)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	115.9205	0.155	2	116.0080	0.036	4	116.0080	0.036	4	116.0080	0.036	4	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:3:4:4:	3:4:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5]CC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]C)(CH3)2	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5]CC)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]C)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5]CC)(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	116.0955	0.233	2	116.0080	0.036	4	116.0080	0.036	4	116.0080	0.036	4	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:3:4:4:	4:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6,6]-3:C[5,6a]-3:C-4:C-4:	C[5,3x6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,3x6]C[6a])(Si[5]C[5,6,6]CC)(C[6a]C[6a]H)	Si[5](C[5,6,6]C[5,3x6]C[6,6])(C[5,6a]C[5,6a]C[6a])(CH3)2	C[5,6a](C[5,3x6]C[6,6,6a]C[5,6,6]C[5x6])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,3x6]C[6a])(Si[5]C[5,6,6]CC)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	Si[5](C[5,6,6]C[5,3x6]C[6,6])(C[5,6a]C[5,6a]C[6a])(CH3)2{1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,3x6]C[6,6,6a]C[5,6,6]C[5x6])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,7|C<3>}	112.6570	0.000	1	112.6570	0.000	1	112.2820	0.281	2	112.2820	0.281	2	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:3:4:4:	4:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6,6]-3:C[5,6a]-3:C-4:C-4:	C[5,3x6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,3x6]C[6a])(Si[5]C[5,6,6]CC)(C[6a]C[6a]H)	Si[5](C[5,6,6]C[5,3x6]C[6,6])(C[5,6a]C[5,6a]C[6a])(CH3)2	C[5,6a](C[5,3x6]C[6,6,6a]C[5,6,6]O[6,6])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,3x6]C[6a])(Si[5]C[5,6,6]CC)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	Si[5](C[5,6,6]C[5,3x6]C[6,6])(C[5,6a]C[5,6a]C[6a])(CH3)2{1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,3x6]C[6,6,6a]C[5,6,6]O[6,6])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	111.9070	0.000	1	111.9070	0.000	1	112.2820	0.281	2	112.2820	0.281	2	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:4:1:1:	3:4:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:Si[5]-4:H-1:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]Si[5]HH)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[6a]Si[5]Pd)(H)2	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]Si[5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]Si[5]HH)(C[6a]C[6a]H){1|Pd<4>,2|C<3>,2|C<4>,2|H<1>}	Si[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[6a]Si[5]Pd)(H)2{1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]Si[5]CC)(C[6a]C[6a]H){1|Pd<4>,2|C<3>,4|H<1>}	117.3300	0.000	1	117.3300	0.000	1	117.3300	0.000	1	117.3300	0.000	1	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:4:4:2:	3:3:4:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[5]CO)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC3)(OC)	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[5]CO)(C[6a]C[6a]H){1|C<3>,6|H<1>}	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC3)(OC){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	108.9160	0.008	2	108.9160	0.000	2	108.9160	0.000	2	108.9160	0.000	2	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:4:4:4:	3:3:2:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(Si[5]C[5,5]CC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2O[5])(CH3)2	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]C)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(Si[5]C[5,5]CC)(C[6a]C[6a]H){2|C<4>,3|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2O[5])(CH3)2{1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]C)(O[5]C[5,5]){2|C<4>,2|H<1>,3|C<3>}	110.0130	0.000	1	110.0130	0.000	1	110.0130	0.000	1	111.3180	3.406	2	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:4:4:4:	3:3:2:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(Si[5]C[5]CC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5]H)(CH3)2	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(Si[5]C[5]CC)(C[6a]C[6a]H){2|C<3>,3|H<1>}	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5]H)(CH3)2{1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(S[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	112.6230	0.000	1	112.6230	0.000	1	112.6230	0.000	1	111.3180	3.406	2	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:4:4:4:	3:4:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C-4:C-4:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5,5]CC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])(C[5,5]Si[5]2C[5])(CH3)2	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5,5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5,5]CC)(C[6a]C[6a]H){1|Si<2>,1|C<3>,2|H<1>,3|C<4>}	Si[5](C[5,6a]C[5,6a]C[6a])(C[5,5]Si[5]2C[5])(CH3)2{2|C<3>,3|H<1>,4|C<4>}	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5,5]CC)(C[6a]C[6a]H){1|Si<2>,1|C<3>,2|H<1>,3|C<4>}	114.1608	0.617	4	114.1608	0.381	4	114.1608	0.381	4	117.3248	10.694	19	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:4:4:4:	3:4:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5]CC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]HH)(CH3)2	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]HH)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5]CC)(C[6a]C[6a]H){1|Si<4>,1|C<3>,2|C<4>,3|H<1>}	115.2990	0.000	1	114.5595	0.600	6	114.5595	0.600	6	117.3248	10.694	19	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:4:4:4:	3:4:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5]CC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]HH)(CH3)2	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]HH)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5]CC)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	114.7660	0.933	2	114.5595	0.600	6	114.5595	0.600	6	117.3248	10.694	19	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:4:4:4:	3:4:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5]CC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]HH)(CH3)2	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5]CC)(C[6a]C[6a]H){1|Si<4>,1|C<3>,2|C<4>,3|H<1>}	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]HH)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	113.4840	0.000	1	114.5595	0.600	6	114.5595	0.600	6	117.3248	10.694	19	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:4:4:4:	3:4:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5]CC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]HH)(CH3)2	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5]CC)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]HH)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	114.5210	0.583	2	114.5595	0.600	6	114.5595	0.600	6	117.3248	10.694	19	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:4:4:4:	3:4:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:Si[5]-4:C-4:C-4:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]Si[5]CC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[6a]Si[5]Pd)(CH3)2	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]Si[5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]Si[5]CC)(C[6a]C[6a]H){1|Pd<4>,2|C<3>,4|H<1>}	Si[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[6a]Si[5]Pd)(CH3)2{3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]Si[5]HH)(C[6a]C[6a]H){1|Pd<4>,2|C<3>,2|C<4>,2|H<1>}	118.5150	0.000	1	118.5150	0.000	1	120.5747	0.921	9	117.3248	10.694	19	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:4:4:4:	3:4:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:Si[5]-4:C-4:C-4:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]Si[5]CC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])(Si[5]Si[5]CC)(CH3)2	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]Si[5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]Si[5]CC)(C[6a]C[6a]H){1|C<3>,1|H<1>,5|C<4>}	Si[5](C[5,6a]C[5,6a]C[6a])(Si[5]Si[5]CC)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]Si[5]CC)(C[6a]C[6a]H){1|C<3>,1|H<1>,5|C<4>}	120.5718	0.572	4	120.8321	0.370	8	120.5747	0.921	9	117.3248	10.694	19	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:4:4:4:	3:4:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:Si[5]-4:C-4:C-4:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]Si[5]CC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])(Si[5]Si[5]CC)(CH3)2	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]Si[5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]Si[5]CC)(C[6a]C[6a]H){1|C<3>,1|H<1>,5|C<4>}	Si[5](C[5,6a]C[5,6a]C[6a])(Si[5]Si[5]CC)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]Si[5]CC)(C[6a]C[6a]H){1|H<1>,2|C<3>,4|C<4>}	120.8665	0.780	2	120.8321	0.370	8	120.5747	0.921	9	117.3248	10.694	19	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:4:4:4:	3:4:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:Si[5]-4:C-4:C-4:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]Si[5]CC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])(Si[5]Si[5]CC)(CH3)2	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]Si[5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]Si[5]CC)(C[6a]C[6a]H){1|H<1>,2|C<3>,4|C<4>}	Si[5](C[5,6a]C[5,6a]C[6a])(Si[5]Si[5]CC)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]Si[5]CC)(C[6a]C[6a]H){1|C<3>,1|H<1>,5|C<4>}	121.3185	0.504	2	120.8321	0.370	8	120.5747	0.921	9	117.3248	10.694	19	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	3:4:3:	3:4:4:4:	4:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]Fe)(CH3)2	C[5,6a](C[5,5]C[5,5]C[5]Fe)(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[6a]H){1|Fe<10>,1|C<3>,2|C<4>,2|H<1>}	Si[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]Fe)(CH3)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]Fe)(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	110.1830	0.065	2	110.1830	0.004	2	110.1830	0.004	2	110.1830	0.004	2	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	4:3:3:	3:3:4:1:	3:4:3:	Si[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:Si[5,5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](Si[5]Si[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]N[5])(Si[5,5]C[5]3)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(C[5]Si[5,5]CC)(C[6a]C[6a]H)	C[5,6a](Si[5]Si[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>,4|C<4>}	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]N[5])(Si[5,5]C[5]3)(H){11|C<4>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[5]Si[5,5]CC)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	116.5490	0.000	1	116.5490	0.000	1	116.5490	0.000	1	116.5490	0.000	1	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	4:3:3:	3:3:4:4:	3:3:3:	Si[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:Si[5]-4:Si-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](Si[5]C[5,6a]Si[5]Si)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	Si[5](C[5,6a]C[5,6a]C[6a])2(Si[5]C[5,6a]2Si[5])(SiC3)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](Si[5]C[5,6a]Si[5]Si)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|Si<4>,2|H<1>,5|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])2(Si[5]C[5,6a]2Si[5])(SiC3){10|C<3>,1|Si<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|Si<4>,3|C<3>,3|H<1>}	109.1968	0.128	4	109.1968	0.016	4	109.1968	0.016	4	109.1968	0.016	4	110.3686	10.190	182	109.9128	9.078	273
727	562	727	5:SP2_SP2_SP3	C[5,6a]	Si[5]	C[5,6a]	4:3:3:	4:3:3:2:	3:3:4:	Si[5]-4:C[5,6a]-3:C[6a]-3:	Si[5]-4:C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](Si[5]C[6a]Si[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	Si[5](Si[5]C[5,6a]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5,6a](Si[5]C[6a]Si[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	Si[5](Si[5]C[5,6a]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5]){2|H<1>,4|C<4>,8|C<3>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]O[5]CC){1|Si<4>,2|C<3>,2|H<1>}	110.1238	0.744	4	110.1238	0.554	4	110.1238	0.554	4	110.1238	0.554	4	110.3686	10.190	182	109.9128	9.078	273
727	606	643	0:SP2_SP2_SP3	C[5,6a]	Ge[5,3x6]	C[6a]	4:3:3:	4:3:3:3:	3:3:3:	Ge[5,3x6]-4:C[5,6a]-3:C[6a]-3:	C[5,3x6]-4:C[5,6a]-3:C[6,6]-3:C[6,6]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a](Ge[5,3x6]C[5,3x6]C[6,6]2)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]2)	Ge[5,3x6](C[5,3x6]C[3x6]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[3])(C[6,6]C[6,6]H)	C[6a](C[5,6a]Ge[5,3x6]C[5,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](Ge[5,3x6]C[5,3x6]C[6,6]2)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]2){3|C<4>,3|H<1>,6|C<3>}	Ge[5,3x6](C[5,3x6]C[3x6]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[3])(C[6,6]C[6,6]H){1|Ge<4>,2|H<1>,4|C<4>,5|C<3>}	C[6a](C[5,6a]Ge[5,3x6]C[5,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,3|C<4>,6|C<3>}	136.1120	0.000	1	136.1120	0.000	1	136.1120	0.000	1	136.1120	0.000	1	136.1120	0.000	1	133.7090	11.292	21
727	606	643	0:SP2_SP2_SP3	C[5,6a]	Ge[5,6]	C[6a]	4:3:3:	3:3:3:2:	3:3:4:	Ge[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6]-3:C[6]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a](Ge[5,6]C[6]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	Ge[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]C)2(O[5]C[5])	C[6a](C[5,6a]C[5,6a]Ge[5,6])(C[6a]C[6a]H)(CSi2H)	C[5,6a](Ge[5,6]C[6]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){2|Si<4>,2|C<4>,2|H<1>,3|C<3>}	Ge[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]C)2(O[5]C[5]){1|Ge<4>,2|Si<4>,2|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]Ge[5,6])(C[6a]C[6a]H)(CSi2H){1|O<2>,2|C<4>,3|C<3>}	134.4800	0.000	1	134.4800	0.000	1	134.4800	0.000	1	134.4800	0.000	1	134.4800	0.000	1	133.7090	11.292	21
727	606	643	0:SP2_SP2_SP3	C[5,6a]	Ge[5]	C[6a]	3:4:3:	3:3:3:2:	3:3:1:	C[5,6a]-3:Ge[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(Ge[5]C[6a]2O[5])(C[6a]C[6a]H)	Ge[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]C[5])	C[6a](C[5,6a]C[5,6a]Ge[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(Ge[5]C[6a]2O[5])(C[6a]C[6a]H){1|Cr<6>,2|H<1>,5|C<3>}	Ge[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]C[5]){1|Cr<6>,1|H<1>,4|C<4>,6|C<3>}	C[6a](C[5,6a]C[5,6a]Ge[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	130.4860	0.000	1	131.0440	0.238	3	131.0440	0.238	3	131.0440	0.238	3	133.5419	12.163	19	133.7090	11.292	21
727	606	643	0:SP2_SP2_SP3	C[5,6a]	Ge[5]	C[6a]	3:4:3:	3:3:3:2:	3:3:1:	C[5,6a]-3:Ge[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(Ge[5]C[6a]2O[5])(C[6a]C[6a]H)	Ge[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]C[5])	C[6a](C[5,6a]C[5,6a]Ge[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(Ge[5]C[6a]2O[5])(C[6a]C[6a]H){1|Mo<6>,2|H<1>,5|C<3>}	Ge[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]C[5]){1|Mo<6>,1|H<1>,4|C<4>,6|C<3>}	C[6a](C[5,6a]C[5,6a]Ge[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	131.2540	0.000	1	131.0440	0.238	3	131.0440	0.238	3	131.0440	0.238	3	133.5419	12.163	19	133.7090	11.292	21
727	606	643	0:SP2_SP2_SP3	C[5,6a]	Ge[5]	C[6a]	3:4:3:	3:3:3:2:	3:3:1:	C[5,6a]-3:Ge[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(Ge[5]C[6a]2O[5])(C[6a]C[6a]H)	Ge[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]C[5])	C[6a](C[5,6a]C[5,6a]Ge[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(Ge[5]C[6a]2O[5])(C[6a]C[6a]H){1|W<6>,2|H<1>,5|C<3>}	Ge[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]C[5]){1|H<1>,1|W<6>,4|C<4>,6|C<3>}	C[6a](C[5,6a]C[5,6a]Ge[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	131.3920	0.000	1	131.0440	0.238	3	131.0440	0.238	3	131.0440	0.238	3	133.5419	12.163	19	133.7090	11.292	21
727	606	643	0:SP2_SP2_SP3	C[5,6a]	Ge[5]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[5,6a,6a]-3:Ge[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(Ge[5]C[5,6a]CC)(C[6a]C[6a]H)	Ge[5](C[5,6a]C[5,6a,6a]C[6a])2(CH3)2	C[6a](C[5,6a]C[5,6a,6a]Ge[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(Ge[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	Ge[5](C[5,6a]C[5,6a,6a]C[6a])2(CH3)2{2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]Ge[5])(C[6a]C[5,6a]H)(H){1|Ge<4>,2|C<4>,3|C<3>}	136.6777	0.569	10	136.6777	0.324	10	136.6777	0.324	10	134.7304	10.449	14	133.5419	12.163	19	133.7090	11.292	21
727	606	643	0:SP2_SP2_SP3	C[5,6a]	Ge[5]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[5,6a]-3:Ge[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:Ge[5]-4:Ge[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Ge[5]C[5,6a]Ge[5]2)(C[6a]C[6a]H)	Ge[5](C[5,6a]C[5,6a]C[6a])2(Ge[5]C[5,6a]2Ge[5])(Ge[5]C[5,6a]2Pt)	C[6a](C[5,6a]C[5,6a]Ge[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Ge[5]C[5,6a]Ge[5]2)(C[6a]C[6a]H){1|Ge<4>,1|Pt<4>,2|H<1>,7|C<3>}	Ge[5](C[5,6a]C[5,6a]C[6a])2(Ge[5]C[5,6a]2Ge[5])(Ge[5]C[5,6a]2Pt){14|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]Ge[5])(C[6a]C[6a]H)(H){2|Ge<4>,1|H<1>,3|C<3>}	129.8623	0.262	4	129.8623	0.069	4	129.8623	0.069	4	134.7304	10.449	14	133.5419	12.163	19	133.7090	11.292	21
727	606	643	0:SP2_SP2_SP3	C[5,6a]	Ge[5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	Ge[5]-4:C[5,6a]-3:C[6a]-3:	Ge[5]-4:C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](Ge[5]C[6a]Ge[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	Ge[5](Ge[5]C[5,6a]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]Ge[5])(C[6a]C[6a]H)(H)	C[5,6a](Ge[5]C[6a]Ge[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	Ge[5](Ge[5]C[5,6a]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5]){2|H<1>,4|C<4>,8|C<3>}	C[6a](C[5,6a]C[5,6a]Ge[5])(C[6a]C[6a]H)(H){1|Ge<4>,1|O<2>,2|C<3>,2|C<4>}	128.9690	1.519	2	128.9690	2.307	2	128.9690	2.307	2	128.9690	2.307	2	133.5419	12.163	19	133.7090	11.292	21
727	606	727	0:SP2_SP2_SP3	C[5,5a]	Ge[5]	C[5a,6a]	3:3:4:	3:3:3:3:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:Ge[5]-4:	C[5,5a]-3:C[5,5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]O[5a])(Ge[5]C[5,5a]C[6a]2)	Ge[5](C[5,5a]C[5a,6a]C[5,5a])2(C[6a]C[6a]2)2	C[5a,6a](C[5,5a]C[5,5a]Ge[5])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]O[5a])(Ge[5]C[5,5a]C[6a]2){1|H<1>,1|O<2>,7|C<3>}	Ge[5](C[5,5a]C[5a,6a]C[5,5a])2(C[6a]C[6a]2)2{2|O<2>,4|H<1>,8|C<3>}	C[5a,6a](C[5,5a]C[5,5a]Ge[5])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	148.3360	0.000	1	148.3360	0.000	1	148.3360	0.000	1	148.3360	0.000	1	146.5555	6.340	2	142.2907	9.915	7
727	606	727	0:SP2_SP2_SP3	C[5,5a]	Ge[5]	C[5a,6a]	3:3:4:	4:3:3:3:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:Ge[5]-4:	C[4,5,5]-4:C[5,5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[4,5,5]O[5a])(Ge[5]C[4,5,5]C[6a]2)	Ge[5](C[4,5,5]C[4,5,5]2C[5,6a])(C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)2	C[5a,6a](C[5,5a]C[5,5a]Ge[5])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[4,5,5]O[5a])(Ge[5]C[4,5,5]C[6a]2){1|H<1>,1|O<2>,2|C<4>,7|C<3>}	Ge[5](C[4,5,5]C[4,5,5]2C[5,6a])(C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)2{1|C<4>,3|O<2>,4|H<1>,9|C<3>}	C[5a,6a](C[5,5a]C[5,5a]Ge[5])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	144.7750	0.000	1	144.7750	0.000	1	144.7750	0.000	1	144.7750	0.000	1	146.5555	6.340	2	142.2907	9.915	7
727	606	727	0:SP2_SP2_SP3	C[5,5a]	Ge[5]	C[5a]	3:4:3:	3:3:3:3:	3:3:1:	C[5,5a]-3:Ge[5]-4:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a](C[5,5a]C[5,5a]S[5a])(Ge[5]C[5,5a]C[6a]2)(C[5a]C[5a]H)	Ge[5](C[5,5a]C[5,5a]C[5a])2(C[6a]C[6a]2)2	C[5a](C[5,5a]C[5,5a]Ge[5])(C[5a]C[6a]S[5a])(H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(Ge[5]C[5,5a]C[6a]2)(C[5a]C[5a]H){1|S<2>,6|C<3>}	Ge[5](C[5,5a]C[5,5a]C[5a])2(C[6a]C[6a]2)2{2|S<2>,6|C<3>,6|H<1>}	C[5a](C[5,5a]C[5,5a]Ge[5])(C[5a]C[6a]S[5a])(H){6|C<3>}	140.3160	0.000	1	140.3160	0.000	1	140.3160	0.000	1	140.3160	0.000	1	140.5848	0.556	5	142.2907	9.915	7
727	606	727	0:SP2_SP2_SP3	C[5,5a]	Ge[5]	C[5a]	3:4:3:	3:3:4:4:	3:3:1:	C[5,5a]-3:Ge[5]-4:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:Ge[5]-4:C-4:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a](C[5,5a]C[5,5a]S[5a])(Ge[5]C[5,5a]Ge[5]C)(C[5a]C[5a]H)	Ge[5](C[5,5a]C[5,5a]C[5a])2(Ge[5]C[5,5a]2C)(CCHH)	C[5a](C[5,5a]C[5,5a]Ge[5])(C[5a]S[5a]H)(H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(Ge[5]C[5,5a]Ge[5]C)(C[5a]C[5a]H){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	Ge[5](C[5,5a]C[5,5a]C[5a])2(Ge[5]C[5,5a]2C)(CCHH){2|H<1>,2|S<2>,6|C<3>}	C[5a](C[5,5a]C[5,5a]Ge[5])(C[5a]S[5a]H)(H){1|Ge<4>,1|C<4>,2|C<3>}	140.6520	0.843	4	140.6520	0.711	4	140.6520	0.711	4	140.6520	0.711	4	140.5848	0.556	5	142.2907	9.915	7
727	606	727	5:SP2_SP2_SP3	C[5,5a]	Ge[5]	C[5,5a]	3:3:4:	3:3:3:3:	3:3:2:	C[5a,6a]-3:C[5,5a]-3:Ge[5]-4:	C[5,5a]-3:C[5,5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5,5a]-3:O[5a]-2:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]O[5a])(Ge[5]C[5,5a]C[6a]2)	Ge[5](C[5,5a]C[5a,6a]C[5,5a])2(C[6a]C[6a]2)2	C[5,5a](C[5,5a]C[5a,6a]Ge[5])(C[5,5a]C[5,5a]O[5a])(O[5a]C[5a,6a])	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]O[5a])(Ge[5]C[5,5a]C[6a]2){1|H<1>,1|O<2>,7|C<3>}	Ge[5](C[5,5a]C[5a,6a]C[5,5a])2(C[6a]C[6a]2)2{2|O<2>,4|H<1>,8|C<3>}	C[5,5a](C[5,5a]C[5a,6a]Ge[5])(C[5,5a]C[5,5a]O[5a])(O[5a]C[5a,6a]){6|C<3>}	105.9270	0.000	1	105.9270	0.000	1	105.9270	0.000	1	105.9270	0.000	1	107.6130	1.399	7	107.6045	3.107	30
727	606	727	5:SP2_SP2_SP3	C[5,5a]	Ge[5]	C[5,5a]	3:3:4:	4:3:3:3:	4:3:2:	C[5a,6a]-3:C[5,5a]-3:Ge[5]-4:	C[4,5,5]-4:C[5,5a]-3:C[6a]-3:C[6a]-3:	C[4,5,5]-4:C[5,5a]-3:O[5a]-2:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[4,5,5]O[5a])(Ge[5]C[4,5,5]C[6a]2)	Ge[5](C[4,5,5]C[4,5,5]2C[5,6a])(C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)2	C[5,5a](C[4,5,5]C[4,5,5]2O[5])(C[5,5a]C[5a,6a]Ge[5])(O[5a]C[5a,6a])	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[4,5,5]O[5a])(Ge[5]C[4,5,5]C[6a]2){1|H<1>,1|O<2>,2|C<4>,7|C<3>}	Ge[5](C[4,5,5]C[4,5,5]2C[5,6a])(C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)2{1|C<4>,3|O<2>,4|H<1>,9|C<3>}	C[5,5a](C[4,5,5]C[4,5,5]2O[5])(C[5,5a]C[5a,6a]Ge[5])(O[5a]C[5a,6a]){1|Ge<4>,1|C<4>,7|C<3>}	109.7460	0.000	1	109.7460	0.000	1	109.7460	0.000	1	109.7460	0.000	1	107.6130	1.399	7	107.6045	3.107	30
727	606	727	5:SP2_SP2_SP3	C[5,5a]	Ge[5]	C[5,5a]	3:4:3:	3:3:3:3:	3:3:2:	C[5,5a]-3:Ge[5]-4:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a](C[5,5a]C[5,5a]S[5a])(Ge[5]C[5,5a]C[6a]2)(C[5a]C[5a]H)	Ge[5](C[5,5a]C[5,5a]C[5a])2(C[6a]C[6a]2)2	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]Ge[5])(S[5a]C[5a])	C[5,5a](C[5,5a]C[5,5a]S[5a])(Ge[5]C[5,5a]C[6a]2)(C[5a]C[5a]H){1|S<2>,6|C<3>}	Ge[5](C[5,5a]C[5,5a]C[5a])2(C[6a]C[6a]2)2{2|S<2>,6|C<3>,6|H<1>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]Ge[5])(S[5a]C[5a]){1|H<1>,5|C<3>}	107.6730	0.000	1	107.6730	0.000	1	107.6730	0.000	1	107.6730	0.000	1	107.6130	1.399	7	107.6045	3.107	30
727	606	727	5:SP2_SP2_SP3	C[5,5a]	Ge[5]	C[5,5a]	3:4:3:	3:3:4:4:	3:3:2:	C[5,5a]-3:Ge[5]-4:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:Ge[5]-4:C-4:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a](C[5,5a]C[5,5a]S[5a])(Ge[5]C[5,5a]Ge[5]C)(C[5a]C[5a]H)	Ge[5](C[5,5a]C[5,5a]C[5a])2(Ge[5]C[5,5a]2C)(CCHH)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]Ge[5])(S[5a]C[5a])	C[5,5a](C[5,5a]C[5,5a]S[5a])(Ge[5]C[5,5a]Ge[5]C)(C[5a]C[5a]H){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	Ge[5](C[5,5a]C[5,5a]C[5a])2(Ge[5]C[5,5a]2C)(CCHH){2|H<1>,2|S<2>,6|C<3>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]Ge[5])(S[5a]C[5a]){1|Ge<4>,1|C<4>,2|C<3>,2|H<1>}	107.4863	0.557	4	107.4863	0.311	4	107.4863	0.311	4	107.4863	0.311	4	107.6130	1.399	7	107.6045	3.107	30
727	606	727	5:SP2_SP2_SP3	C[5,6a]	Ge[5,3x6]	C[5,6a]	4:3:3:	4:3:3:3:	3:3:3:	Ge[5,3x6]-4:C[5,6a]-3:C[6a]-3:	C[5,3x6]-4:C[5,6a]-3:C[6,6]-3:C[6,6]-3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a](Ge[5,3x6]C[5,3x6]C[6,6]2)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]2)	Ge[5,3x6](C[5,3x6]C[3x6]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[3])(C[6,6]C[6,6]H)	C[5,6a](C[5,6a]Ge[5,3x6]C[6a])(C[5,6]C[5,3x6]C[6])(C[6a]C[6a]H)	C[5,6a](Ge[5,3x6]C[5,3x6]C[6,6]2)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]2){3|C<4>,3|H<1>,6|C<3>}	Ge[5,3x6](C[5,3x6]C[3x6]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[3])(C[6,6]C[6,6]H){1|Ge<4>,2|H<1>,4|C<4>,5|C<3>}	C[5,6a](C[5,6a]Ge[5,3x6]C[6a])(C[5,6]C[5,3x6]C[6])(C[6a]C[6a]H){1|H<1>,3|C<4>,5|C<3>}	103.6810	0.000	1	103.6810	0.000	1	103.6810	0.000	1	103.6810	0.000	1	103.6810	0.000	1	107.6045	3.107	30
727	606	727	5:SP2_SP2_SP3	C[5,6a]	Ge[5,6]	C[5,6a]	4:3:3:	3:3:3:2:	3:4:3:	Ge[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6]-3:C[6]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](Ge[5,6]C[6]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	Ge[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]C)2(O[5]C[5])	C[5,6a](C[5,6a]Ge[5,6]C[6a])(C[5]O[5]Si2)(C[6a]C[6a]H)	C[5,6a](Ge[5,6]C[6]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){2|Si<4>,2|C<4>,2|H<1>,3|C<3>}	Ge[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]C)2(O[5]C[5]){1|Ge<4>,2|Si<4>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]Ge[5,6]C[6a])(C[5]O[5]Si2)(C[6a]C[6a]H){2|C<4>,3|C<3>}	106.6530	0.000	1	106.6530	0.000	1	106.6530	0.000	1	106.6530	0.000	1	106.6530	0.000	1	107.6045	3.107	30
727	606	727	5:SP2_SP2_SP3	C[5,6a]	Ge[5]	C[5,6a,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[5,6a,6a]-3:Ge[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(Ge[5]C[5,6a]CC)(C[6a]C[6a]H)	Ge[5](C[5,6a]C[5,6a,6a]C[6a])2(CH3)2	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])2(C[5,6a]C[6a]Ge[5])	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(Ge[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	Ge[5](C[5,6a]C[5,6a,6a]C[6a])2(CH3)2{2|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])2(C[5,6a]C[6a]Ge[5]){1|Ge<4>,1|H<1>,2|C<4>,5|C<3>}	106.5894	0.558	12	106.5894	0.311	12	106.5894	0.311	12	106.5894	0.311	12	106.5894	0.311	12	107.6045	3.107	30
727	606	727	5:SP2_SP2_SP3	C[5,6a]	Ge[5]	C[5,6a]	3:4:3:	3:3:3:2:	3:3:3:	C[5,6a]-3:Ge[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(Ge[5]C[6a]2O[5])(C[6a]C[6a]H)	Ge[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]C[5])	C[5,6a](C[5,6a]C[6a]Ge[5])(C[6a]C[6a]H)(C[5]O[5]Cr)	C[5,6a](C[5,6a]C[6a]C[5])(Ge[5]C[6a]2O[5])(C[6a]C[6a]H){1|Cr<6>,2|H<1>,5|C<3>}	Ge[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]C[5]){1|Cr<6>,1|H<1>,4|C<4>,6|C<3>}	C[5,6a](C[5,6a]C[6a]Ge[5])(C[6a]C[6a]H)(C[5]O[5]Cr){2|H<1>,3|C<3>}	108.6410	0.000	1	108.6410	0.000	1	108.6983	0.060	3	108.6983	0.060	3	109.4929	2.191	9	107.6045	3.107	30
727	606	727	5:SP2_SP2_SP3	C[5,6a]	Ge[5]	C[5,6a]	3:4:3:	3:3:3:2:	3:3:3:	C[5,6a]-3:Ge[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(Ge[5]C[6a]2O[5])(C[6a]C[6a]H)	Ge[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]C[5])	C[5,6a](C[5,6a]C[6a]Ge[5])(C[6a]C[6a]H)(C[5]O[5]Mo)	C[5,6a](C[5,6a]C[6a]C[5])(Ge[5]C[6a]2O[5])(C[6a]C[6a]H){1|Mo<6>,2|H<1>,5|C<3>}	Ge[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]C[5]){1|Mo<6>,1|H<1>,4|C<4>,6|C<3>}	C[5,6a](C[5,6a]C[6a]Ge[5])(C[6a]C[6a]H)(C[5]O[5]Mo){2|H<1>,3|C<3>}	108.9660	0.000	1	108.9660	0.000	1	108.6983	0.060	3	108.6983	0.060	3	109.4929	2.191	9	107.6045	3.107	30
727	606	727	5:SP2_SP2_SP3	C[5,6a]	Ge[5]	C[5,6a]	3:4:3:	3:3:3:2:	3:3:3:	C[5,6a]-3:Ge[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(Ge[5]C[6a]2O[5])(C[6a]C[6a]H)	Ge[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]C[5])	C[5,6a](C[5,6a]C[6a]Ge[5])(C[6a]C[6a]H)(C[5]O[5]W)	C[5,6a](C[5,6a]C[6a]C[5])(Ge[5]C[6a]2O[5])(C[6a]C[6a]H){1|W<6>,2|H<1>,5|C<3>}	Ge[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]C[5]){1|H<1>,1|W<6>,4|C<4>,6|C<3>}	C[5,6a](C[5,6a]C[6a]Ge[5])(C[6a]C[6a]H)(C[5]O[5]W){2|H<1>,3|C<3>}	108.4880	0.000	1	108.4880	0.000	1	108.6983	0.060	3	108.6983	0.060	3	109.4929	2.191	9	107.6045	3.107	30
727	606	727	5:SP2_SP2_SP3	C[5,6a]	Ge[5]	C[5,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[5,6a]-3:Ge[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:Ge[5]-4:Ge[5]-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Ge[5]C[5,6a]Ge[5]2)(C[6a]C[6a]H)	Ge[5](C[5,6a]C[5,6a]C[6a])2(Ge[5]C[5,6a]2Ge[5])(Ge[5]C[5,6a]2Pt)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Ge[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Ge[5]C[5,6a]Ge[5]2)(C[6a]C[6a]H){1|Ge<4>,1|Pt<4>,2|H<1>,7|C<3>}	Ge[5](C[5,6a]C[5,6a]C[6a])2(Ge[5]C[5,6a]2Ge[5])(Ge[5]C[5,6a]2Pt){14|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Ge[5])(C[6a]C[6a]H){2|Ge<4>,3|C<3>,3|H<1>}	108.7933	0.210	4	108.7933	0.044	4	108.7933	0.044	4	108.7933	0.044	4	109.4929	2.191	9	107.6045	3.107	30
727	606	727	5:SP2_SP2_SP3	C[5,6a]	Ge[5]	C[5,6a]	4:3:3:	4:3:3:2:	3:3:4:	Ge[5]-4:C[5,6a]-3:C[6a]-3:	Ge[5]-4:C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](Ge[5]C[6a]Ge[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	Ge[5](Ge[5]C[5,6a]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]Ge[5])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5,6a](Ge[5]C[6a]Ge[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	Ge[5](Ge[5]C[5,6a]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5]){2|H<1>,4|C<4>,8|C<3>}	C[5,6a](C[5,6a]C[6a]Ge[5])(C[6a]C[6a]H)(C[5]O[5]CC){1|Ge<4>,1|C<4>,1|H<1>,2|C<3>}	112.0840	0.008	2	112.0840	0.000	2	112.0840	0.000	2	112.0840	0.000	2	109.4929	2.191	9	107.6045	3.107	30
727	610	727	0:SP2_SP2_SP3	C[5a]	B	C[5a,6a]	3:3:4:	3:3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:B-4:	C[5a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[3])(BC[6a]3)	B(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)3	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]B)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[3])(BC[6a]3){2|C<3>,2|C<4>,2|H<1>}	B(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)3	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]B)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	128.4780	0.000	1	128.4780	0.000	1	128.4780	0.000	1	128.4780	0.000	1	128.4780	0.000	1	128.1161	21.440	24
727	610	727	0:SP2_SP2_SP3	C[5a]	B	C[5a]	3:2:4:	3:3:3:1:	3:3:1:	C[5a]-3:S[5a]-2:B-4:	C[5a]-3:C[6a]-3:C[6a]-3:F-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(BC[6a]2F)	B(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2(F)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]B)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(BC[6a]2F){1|C<2>,1|H<1>}	B(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2(F)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]B)(H){1|C<2>}	134.7245	0.782	4	134.7245	0.611	4	134.7245	0.611	4	134.7245	0.611	4	128.1004	22.408	23	128.1161	21.440	24
727	610	727	0:SP2_SP2_SP3	C[5a]	B	C[5a]	3:2:4:	3:3:3:2:	3:3:1:	C[5a]-3:S[5a]-2:B-4:	C[5a]-3:C[6]-3:O-3:O-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(BC[6]OO)	B(C[5a]C[5a]S[5a])(C[6]C[6]N[6])(OLiC)(OC)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]B)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(BC[6]OO){2|H<1>}	B(C[5a]C[5a]S[5a])(C[6]C[6]N[6])(OLiC)(OC)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]B)(H){1|H<1>}	129.7370	1.208	2	129.7370	1.459	2	129.7370	1.459	2	129.7370	1.459	2	128.1004	22.408	23	128.1161	21.440	24
727	610	727	0:SP2_SP2_SP3	C[5a]	B	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:N[5a]-3:B-4:	C[5a]-3:F-1:F-1:F-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(BF3)	B(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]B)(CHN)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(BF3){2|C<3>}	B(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]B)(CHN){1|C<4>,1|H<1>,2|C<3>}	132.9080	0.000	1	132.9080	0.000	1	132.9080	0.000	1	132.9080	0.000	1	128.1004	22.408	23	128.1161	21.440	24
727	610	727	0:SP2_SP2_SP3	C[5a]	B	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-3:B-4:	C[5a]-3:F-1:F-1:F-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(BF3)	B(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]B)(CC[6a]2H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(BF3){2|C<3>}	B(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]B)(CC[6a]2H){1|C<4>,1|H<1>,2|C<3>}	132.0850	0.000	1	132.0850	0.000	1	130.6490	4.124	2	130.6490	4.124	2	128.1004	22.408	23	128.1161	21.440	24
727	610	727	0:SP2_SP2_SP3	C[5a]	B	C[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-3:B-4:	C[5a]-3:F-1:F-1:F-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(BF3)	B(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]B)(CHHN)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(BF3){2|C<3>}	B(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]B)(CHHN){1|C<4>,1|H<1>,2|C<3>}	129.2130	0.000	1	129.2130	0.000	1	130.6490	4.124	2	130.6490	4.124	2	128.1004	22.408	23	128.1161	21.440	24
727	610	727	0:SP2_SP2_SP3	C[5a]	B	C[5a]	3:3:4:	3:3:3:2:	3:3:1:	C[5a]-3:C[5a]-3:B-4:	C[5a]-3:C[6a]-3:C[6a]-3:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(BC[6a]2C)	B(C[5a]C[5a]2)(C[6a]C[6a]2)2(CN)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]B)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(BC[6a]2C){1|S<2>,2|C<3>}	B(C[5a]C[5a]2)(C[6a]C[6a]2)2(CN)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]B)(H){1|S<2>,2|C<3>}	120.5840	0.000	1	120.5840	0.000	1	120.5840	0.000	1	122.1733	1.144	6	128.1004	22.408	23	128.1161	21.440	24
727	610	727	0:SP2_SP2_SP3	C[5a]	B	C[5a]	3:3:4:	3:3:3:2:	3:3:1:	C[5a]-3:C[5a]-3:B-4:	C[5a]-3:C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(BC[6a]2O)	B(C[5a]C[5a]2)(C[6a]C[6a]2)2(OP)	C[5a](C[5a]C[5a]B)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(BC[6a]2O){1|C<2>,1|C<3>,1|S<2>}	B(C[5a]C[5a]2)(C[6a]C[6a]2)2(OP)	C[5a](C[5a]C[5a]B)(C[5a]S[5a]C)(H){1|C<3>}	122.7120	0.799	2	122.4950	0.460	3	122.4912	0.672	5	122.1733	1.144	6	128.1004	22.408	23	128.1161	21.440	24
727	610	727	0:SP2_SP2_SP3	C[5a]	B	C[5a]	3:3:4:	3:3:3:2:	3:3:1:	C[5a]-3:C[5a]-3:B-4:	C[5a]-3:C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(BC[6a]2O)	B(C[5a]C[5a]2)(C[6a]C[6a]2)2(OP)	C[5a](C[5a]C[5a]B)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(BC[6a]2O){1|C<3>,1|C<4>,1|S<2>}	B(C[5a]C[5a]2)(C[6a]C[6a]2)2(OP)	C[5a](C[5a]C[5a]B)(C[5a]S[5a]C)(H){1|C<3>}	122.0610	0.000	1	122.4950	0.460	3	122.4912	0.672	5	122.1733	1.144	6	128.1004	22.408	23	128.1161	21.440	24
727	610	727	0:SP2_SP2_SP3	C[5a]	B	C[5a]	3:3:4:	3:3:3:2:	3:3:1:	C[5a]-3:C[5a]-3:B-4:	C[5a]-3:C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(BC[6a]2O)	B(C[5a]C[5a]2)(C[6a]C[6a]2)2(OP)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]B)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(BC[6a]2O){1|S<2>,2|C<3>}	B(C[5a]C[5a]2)(C[6a]C[6a]2)2(OP)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]B)(H){3|C<3>}	122.4855	1.329	2	122.4855	1.765	2	122.4912	0.672	5	122.1733	1.144	6	128.1004	22.408	23	128.1161	21.440	24
727	610	727	0:SP2_SP2_SP3	C[5a]	B	C[5a]	3:3:4:	3:3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:B-4:	C[5a]-3:C[6a]-3:C[6a]-3:C-2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(BC[6a]2C)	B(C[5a]C[5a]2)(C[6a]C[6a]2)2(CN)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]B)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(BC[6a]2C){1|S<2>,2|C<3>}	B(C[5a]C[5a]2)(C[6a]C[6a]2)2(CN)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]B)(S[5a]C[5a]){2|H<1>,3|C<3>}	129.3280	0.000	1	129.3280	0.000	1	129.3280	0.000	1	128.4825	0.650	6	128.1004	22.408	23	128.1161	21.440	24
727	610	727	0:SP2_SP2_SP3	C[5a]	B	C[5a]	3:3:4:	3:3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:B-4:	C[5a]-3:C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(BC[6a]2O)	B(C[5a]C[5a]2)(C[6a]C[6a]2)2(OP)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]B)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(BC[6a]2O){1|C<2>,1|C<3>,1|S<2>}	B(C[5a]C[5a]2)(C[6a]C[6a]2)2(OP)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]B)(S[5a]C[5a]){1|C<2>,1|H<1>,1|P<4>,2|C<3>}	128.3170	0.918	2	128.3134	0.598	5	128.3134	0.598	5	128.4825	0.650	6	128.1004	22.408	23	128.1161	21.440	24
727	610	727	0:SP2_SP2_SP3	C[5a]	B	C[5a]	3:3:4:	3:3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:B-4:	C[5a]-3:C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(BC[6a]2O)	B(C[5a]C[5a]2)(C[6a]C[6a]2)2(OP)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]B)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(BC[6a]2O){1|C<3>,1|C<4>,1|S<2>}	B(C[5a]C[5a]2)(C[6a]C[6a]2)2(OP)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]B)(S[5a]C[5a]){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	128.6730	0.000	1	128.3134	0.598	5	128.3134	0.598	5	128.4825	0.650	6	128.1004	22.408	23	128.1161	21.440	24
727	610	727	0:SP2_SP2_SP3	C[5a]	B	C[5a]	3:3:4:	3:3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:B-4:	C[5a]-3:C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(BC[6a]2O)	B(C[5a]C[5a]2)(C[6a]C[6a]2)2(OP)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]B)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(BC[6a]2O){1|S<2>,2|C<3>}	B(C[5a]C[5a]2)(C[6a]C[6a]2)2(OP)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]B)(S[5a]C[5a]){1|H<1>,1|P<4>,3|C<3>}	128.1300	1.164	2	128.3134	0.598	5	128.3134	0.598	5	128.4825	0.650	6	128.1004	22.408	23	128.1161	21.440	24
727	610	727	0:SP2_SP2_SP3	C[5a]	B	C[5a]	3:3:4:	3:3:3:3:	3:2:4:	C[5a,6a]-3:C[5a]-3:B-4:	C[5a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:C[3]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[3])(BC[6a]3)	B(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)3	C[5a](C[5a]C[5a,6a]B)(S[5a]C[5a,6a])(C[3]C[3]2H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[3])(BC[6a]3){2|C<3>,2|C<4>,2|H<1>}	B(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)3	C[5a](C[5a]C[5a,6a]B)(S[5a]C[5a,6a])(C[3]C[3]2H){2|C<3>,4|H<1>}	121.1930	0.000	1	121.1930	0.000	1	121.1930	0.000	1	121.1930	0.000	1	128.1004	22.408	23	128.1161	21.440	24
727	610	727	0:SP2_SP2_SP3	C[5a]	B	C[5a]	4:3:2:	3:3:3:3:	3:3:1:	B-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:N[6]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](BC[6a]2N[6])(C[5a]C[5a]H)(S[5a]C[5a])	B(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2(N[6]C[6]2)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]B)(H)	C[5a](BC[6a]2N[6])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|H<1>}	B(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2(N[6]C[6]2)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]B)(H){1|C<3>}	128.6030	0.000	1	128.6030	0.000	1	128.6030	0.000	1	128.6030	0.000	1	128.1004	22.408	23	128.1161	21.440	24
727	610	813	0:SP2_SP2_SP3	C[5a]	B	N[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-3:B-4:	C[5a]-3:F-1:F-1:F-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(BF3)	B(C[5a]C[5a]N[5a])(F)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]B)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(BF3){2|C<3>}	B(C[5a]C[5a]N[5a])(F)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]B)(CH3){1|C<4>,1|H<1>,2|C<3>}	121.6780	2.029	2	120.9257	3.757	3	120.9257	3.757	3	120.9257	3.757	3	120.9257	3.757	3	120.9257	3.757	3
727	610	813	0:SP2_SP2_SP3	C[5a]	B	N[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-3:B-4:	C[5a]-3:F-1:F-1:F-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(BF3)	B(C[5a]C[5a]N[5a])(F)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]B)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(BF3){2|C<3>}	B(C[5a]C[5a]N[5a])(F)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]B)(CH3){1|H<1>,3|C<3>}	119.4210	0.000	1	120.9257	3.757	3	120.9257	3.757	3	120.9257	3.757	3	120.9257	3.757	3	120.9257	3.757	3
727	611	643	0:SP2_SP2_SP2	C[5a,6a]	N[4,5a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6a]-3:N[4,5a]-3:C[6a]-3:	C[5a,6a]-3:C[4,5a]-3:C[4]-4:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[4,5a]C[4,5a]C[4])(C[6a]C[6a]H)	N[4,5a](C[5a,6a]C[5a,6a]C[6a])(C[4,5a]C[5a]C[4])(C[4]C[4]HH)	C[6a](C[5a,6a]C[5a,6a]N[4,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[4,5a]C[4,5a]C[4])(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	N[4,5a](C[5a,6a]C[5a,6a]C[6a])(C[4,5a]C[5a]C[4])(C[4]C[4]HH){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[4,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	132.2000	0.000	1	132.2000	0.000	1	132.2000	0.000	1	132.2000	0.000	1	132.2000	0.000	1	132.2000	0.000	1
727	611	727	5:SP2_SP2_SP2	C[5a,6a]	N[4,5a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:N[4,5a]-3:C[6a]-3:	C[5a,6a]-3:C[4,5a]-3:C[4]-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[4,5a]C[4,5a]C[4])(C[6a]C[6a]H)	N[4,5a](C[5a,6a]C[5a,6a]C[6a])(C[4,5a]C[5a]C[4])(C[4]C[4]HH)	C[5a,6a](C[5a,6a]N[4,5a]C[6a])(C[5a]C[4,5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[4,5a]C[4,5a]C[4])(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	N[4,5a](C[5a,6a]C[5a,6a]C[6a])(C[4,5a]C[5a]C[4])(C[4]C[4]HH){3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[4,5a]C[6a])(C[5a]C[4,5a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	105.2370	0.000	1	105.2370	0.000	1	105.2370	0.000	1	105.2370	0.000	1	105.2370	0.000	1	105.2370	0.000	1
727	611	813	5:SP2_SP2_SP2	C[5a]	N[4,5a]	N[5a]	3:3:1:	4:3:3:	3:3:4:	N[4,5a]-3:N[5a]-3:O-1:	C[4,5]-4:N[4,5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[4,5a]N[4,5a]C[4,5])(N[5a]C[5a]C)(O)	N[4,5a](C[4,5]C[5,6a]C[4,5]H)(N[4,5a]C[4,5]C[5a])(C[5a]N[5a]O)	N[5a](C[5a]N[4,5a]O)2(CH3)	C[5a](N[4,5a]N[4,5a]C[4,5])(N[5a]C[5a]C)(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N[4,5a](C[4,5]C[5,6a]C[4,5]H)(N[4,5a]C[4,5]C[5a])(C[5a]N[5a]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[5a](C[5a]N[4,5a]O)2(CH3){2|C<4>}	106.0230	0.321	2	106.0230	0.103	2	106.0230	0.103	2	106.0230	0.103	2	106.0230	0.103	2	106.1853	0.131	3
727	611	813	5:SP2_SP2_SP2	C[5a]	N[4a,5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	N[4a,5a]-3:N[5a]-3:O-1:	N[4a,5a]-3:C[4a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[4a,5a]N[4a,5a]C[4a])(N[5a]C[5a]C)(O)	N[4a,5a](N[4a,5a]C[4a]C[5a])(C[4a]C[4a]H)(C[5a]N[5a]O)	N[5a](C[5a]N[4a,5a]O)2(CH3)	C[5a](N[4a,5a]N[4a,5a]C[4a])(N[5a]C[5a]C)(O){1|C<3>,1|H<1>,1|O<1>}	N[4a,5a](N[4a,5a]C[4a]C[5a])(C[4a]C[4a]H)(C[5a]N[5a]O){1|C<4>,1|H<1>,1|O<1>}	N[5a](C[5a]N[4a,5a]O)2(CH3){2|C<3>}	106.5100	0.000	1	106.5100	0.000	1	106.5100	0.000	1	106.5100	0.000	1	106.5100	0.000	1	106.1853	0.131	3
727	611	863	0:SP2_SP2_SP2	C[5a]	N[4,5a]	O	3:3:1:	4:3:3:	3:	N[4,5a]-3:N[5a]-3:O-1:	C[4,5]-4:N[4,5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[4,5a]N[4,5a]C[4,5])(N[5a]C[5a]C)(O)	N[4,5a](C[4,5]C[5,6a]C[4,5]H)(N[4,5a]C[4,5]C[5a])(C[5a]N[5a]O)	O(C[5a]N[4,5a]N[5a])	C[5a](N[4,5a]N[4,5a]C[4,5])(N[5a]C[5a]C)(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N[4,5a](C[4,5]C[5,6a]C[4,5]H)(N[4,5a]C[4,5]C[5a])(C[5a]N[5a]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	O(C[5a]N[4,5a]N[5a])	126.7700	0.245	2	126.7700	0.060	2	126.7700	0.060	2	126.7700	0.060	2	126.7700	0.060	2	126.4707	0.299	3
727	611	863	0:SP2_SP2_SP2	C[5a]	N[4a,5a]	O	3:3:1:	3:3:3:	3:	N[4a,5a]-3:N[5a]-3:O-1:	N[4a,5a]-3:C[4a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[4a,5a]N[4a,5a]C[4a])(N[5a]C[5a]C)(O)	N[4a,5a](N[4a,5a]C[4a]C[5a])(C[4a]C[4a]H)(C[5a]N[5a]O)	O(C[5a]N[4a,5a]N[5a])	C[5a](N[4a,5a]N[4a,5a]C[4a])(N[5a]C[5a]C)(O){1|C<3>,1|H<1>,1|O<1>}	N[4a,5a](N[4a,5a]C[4a]C[5a])(C[4a]C[4a]H)(C[5a]N[5a]O){1|C<4>,1|H<1>,1|O<1>}	O(C[5a]N[4a,5a]N[5a])	125.8720	0.000	1	125.8720	0.000	1	125.8720	0.000	1	125.8720	0.000	1	125.8720	0.000	1	126.4707	0.299	3
727	618	727	0:SP2_SP2_SP2	C[5a,6]	B[6]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:B[6]-3:C[5a,6]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(B[6]C[5a,6]C[6a])(C[5a,6]S[5a]B[6])	B[6](C[5a,6]C[5a,6a]C[5a,6])(C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6]C[5a,6]B[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(B[6]C[5a,6]C[6a])(C[5a,6]S[5a]B[6]){1|H<1>,1|S<2>,6|C<3>}	B[6](C[5a,6]C[5a,6a]C[5a,6])(C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2){1|B<3>,1|S<2>,2|C<4>,6|C<3>}	C[5a,6a](C[5a,6]C[5a,6]B[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|B<3>,2|H<1>,3|C<3>}	130.0850	0.318	2	130.0850	0.101	2	130.0850	0.101	2	130.0850	0.101	2	130.0850	0.101	2	131.8710	4.601	4
727	618	727	0:SP2_SP2_SP2	C[5a,6]	B[6]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:B[6]-3:	C[5a,6]-3:B[6]-3:N-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(B[6]B[6]N)	B[6](C[5a,6]C[5a,6]C[5a])(B[6]C[5a,6]N)(NCC)	C[5a](C[5a,6]C[5a,6]B[6])(C[5a]S[5a]H)(H)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(B[6]B[6]N){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	B[6](C[5a,6]C[5a,6]C[5a])(B[6]C[5a,6]N)(NCC){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a,6]C[5a,6]B[6])(C[5a]S[5a]H)(H){1|B<3>,1|C<3>,1|N<3>}	133.6570	0.970	2	133.6570	0.941	2	133.6570	0.941	2	133.6570	0.941	2	133.6570	0.941	2	131.8710	4.601	4
727	618	727	6:SP2_SP2_SP2	C[5a,6]	B[6]	C[5a,6]	3:3:2:	3:3:3:	3:3:3:	B[6]-3:C[5a,6]-3:S[5a]-2:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6](B[6]C[5a,6]C[6a])(C[5a,6]C[5a]C[6])(S[5a]C[5a])	B[6](C[5a,6]C[5a,6]S[5a])2(C[6a]C[6a]2)	C[5a,6](C[5a,6]S[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a,6](B[6]C[5a,6]C[6a])(C[5a,6]C[5a]C[6])(S[5a]C[5a]){1|S<2>,2|H<1>,4|C<3>}	B[6](C[5a,6]C[5a,6]S[5a])2(C[6a]C[6a]2){2|C<4>,7|C<3>}	C[5a,6](C[5a,6]S[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]H){1|H<1>,5|C<3>}	123.3810	0.393	2	123.3810	0.155	2	123.3810	0.155	2	124.9215	3.365	4	121.0671	18.996	8	121.0671	18.996	8
727	618	727	6:SP2_SP2_SP2	C[5a,6]	B[6]	C[5a,6]	3:3:2:	3:3:3:	3:3:3:	C[5a,6]-3:B[6]-3:S[5a]-2:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a]-3:B[6]-3:C[5a,6]-3:	C[5a,6](C[5a,6]C[5a,6a]B[6])(B[6]C[5a,6]C[6a])(S[5a]C[5a,6a])	B[6](C[5a,6]C[5a,6a]C[5a,6])(C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(B[6]C[5a,6]C[6a])(C[5a,6]S[5a]B[6])	C[5a,6](C[5a,6]C[5a,6a]B[6])(B[6]C[5a,6]C[6a])(S[5a]C[5a,6a]){7|C<3>}	B[6](C[5a,6]C[5a,6a]C[5a,6])(C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2){1|B<3>,1|S<2>,2|C<4>,6|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(B[6]C[5a,6]C[6a])(C[5a,6]S[5a]B[6]){1|H<1>,1|S<2>,6|C<3>}	126.4620	0.670	2	126.4620	0.449	2	126.4620	0.449	2	124.9215	3.365	4	121.0671	18.996	8	121.0671	18.996	8
727	618	727	6:SP2_SP2_SP2	C[5a,6]	B[6]	C[5a,6]	3:3:3:	3:3:3:	3:3:2:	C[5a,6]-3:C[5a]-3:B[6]-3:	C[5a,6]-3:B[6]-3:N-3:	C[5a,6]-3:C[5a,6]-3:S[5a]-2:	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(B[6]B[6]N)	B[6](C[5a,6]C[5a,6]C[5a])(B[6]C[5a,6]N)(NCC)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[5a]B[6])(S[5a]C[5a])	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(B[6]B[6]N){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	B[6](C[5a,6]C[5a,6]C[5a])(B[6]C[5a,6]N)(NCC){1|H<1>,1|S<2>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[5a]B[6])(S[5a]C[5a]){1|B<3>,1|N<3>,2|C<3>,2|H<1>}	116.3605	0.985	2	116.3605	0.970	2	116.3605	0.970	2	117.2127	1.343	4	121.0671	18.996	8	121.0671	18.996	8
727	618	727	6:SP2_SP2_SP2	C[5a,6]	B[6]	C[5a,6]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:B[6]-3:C[5a,6]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-3:S[5a]-2:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(B[6]C[5a,6]C[6a])(C[5a,6]S[5a]B[6])	B[6](C[5a,6]C[5a,6a]C[5a,6])(C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)	C[5a,6](C[5a,6]C[5a,6a]B[6])(B[6]C[5a,6]C[6a])(S[5a]C[5a,6a])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(B[6]C[5a,6]C[6a])(C[5a,6]S[5a]B[6]){1|H<1>,1|S<2>,6|C<3>}	B[6](C[5a,6]C[5a,6a]C[5a,6])(C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2){1|B<3>,1|S<2>,2|C<4>,6|C<3>}	C[5a,6](C[5a,6]C[5a,6a]B[6])(B[6]C[5a,6]C[6a])(S[5a]C[5a,6a]){7|C<3>}	118.0650	0.390	2	118.0650	0.152	2	118.0650	0.152	2	117.2127	1.343	4	121.0671	18.996	8	121.0671	18.996	8
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5,5a]	3:3:2:	3:3:	3:3:4:	C[5,5a]-3:N[5a,6]-3:O[6]-2:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5,5a]-3:C[5]-4:	C[5a,6](C[5,5a]C[5,5a]C[5])(N[5a,6]N[5a]C[6])(O[6]C[6])	O[6](C[5a,6]C[5,5a]N[5a,6])(C[6]C[6a]C[6])	C[5,5a](C[5a,6]N[5a,6]O[6])(C[5,5a]N[5a]C[5])(C[5]C[5]HH)	C[5a,6](C[5,5a]C[5,5a]C[5])(N[5a,6]N[5a]C[6])(O[6]C[6]){1|W<6>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[5a,6]C[5,5a]N[5a,6])(C[6]C[6a]C[6]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5,5a](C[5a,6]N[5a,6]O[6])(C[5,5a]N[5a]C[5])(C[5]C[5]HH){2|C<3>,4|H<1>}	132.2880	0.000	1	132.2880	0.000	1	132.2880	0.000	1	132.2880	0.000	1	132.2880	0.000	1	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:O[6]-2:	C[5a,6]-3:C[6,6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(O[6]C[6,6a])	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(O[6]C[6,6a]){1|H<1>,1|S<4>,6|C<3>}	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	121.2840	0.870	4	121.2840	0.756	4	121.4646	0.730	5	120.7584	0.937	10	121.3594	2.317	16	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:O[6]-2:	C[5a,6]-3:C[6,6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(O[6]C[6,6a])	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(O[6]C[6,6a]){1|H<1>,1|S<1>,4|C<3>}	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|S<2>,5|C<3>}	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.1870	0.000	1	122.1870	0.000	1	121.4646	0.730	5	120.7584	0.937	10	121.3594	2.317	16	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:O[6]-2:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(O[6]C[6])	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]N)	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(O[6]C[6]){1|N<3>,2|H<1>,4|C<3>}	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]N){1|C<2>,1|C<4>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	119.5100	0.000	1	120.0522	0.130	5	120.0522	0.130	5	120.7584	0.937	10	121.3594	2.317	16	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:O[6]-2:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(O[6]C[6])	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]N)	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(O[6]C[6]){1|N<3>,2|H<1>,4|C<3>}	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]N){1|C<4>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	120.1877	0.226	4	120.0522	0.130	5	120.0522	0.130	5	120.7584	0.937	10	121.3594	2.317	16	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6a]	3:3:2:	3:4:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:O[6]-2:	C[5a,6]-3:C[6,6]-4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]S[5a])(O[6]C[6,6])	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]O[6]C)	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]S[5a])(O[6]C[6,6]){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]O[6]C){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	120.6220	0.000	1	120.6220	0.000	1	120.6220	0.000	1	122.3612	3.339	6	121.3594	2.317	16	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6a]	3:3:2:	3:4:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(O[6]C[6])	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(O[6]C[6]){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH){1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	125.4020	0.000	1	125.4020	0.000	1	122.7090	3.267	5	122.3612	3.339	6	121.3594	2.317	16	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6a]	3:3:2:	3:4:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(O[6]C[6])	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CC)	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(O[6]C[6]){1|C<4>,1|H<1>,5|C<3>}	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CC){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	121.7450	0.000	1	121.7450	0.000	1	122.7090	3.267	5	122.3612	3.339	6	121.3594	2.317	16	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6a]	3:3:2:	3:4:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(O[6]C[6])	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(O[6]C[6]){1|C<4>,2|H<1>,4|C<3>}	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH){1|S<2>,4|C<3>}	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	122.9330	0.214	2	122.1327	1.944	3	122.7090	3.267	5	122.3612	3.339	6	121.3594	2.317	16	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6a]	3:3:2:	3:4:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(O[6]C[6])	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(O[6]C[6]){2|C<4>,3|C<3>,3|H<1>}	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	120.5320	0.000	1	122.1327	1.944	3	122.7090	3.267	5	122.3612	3.339	6	121.3594	2.317	16	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a]	3:3:2:	3:3:	3:2:1:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6,6a]-3:	C[5a,6]-3:S[5a]-2:H-1:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6,6a])	O[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(H)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6,6a]){1|H<1>,2|C<3>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a]){1|F<1>,1|H<1>,1|O<2>,1|S<2>,3|C<3>}	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(H){1|C<3>,1|H<1>,1|O<2>}	123.9053	0.125	3	123.9710	0.241	6	124.0982	0.131	14	124.0982	0.131	14	124.4333	2.851	180	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a]	3:3:2:	3:3:	3:2:1:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6,6a]-3:	C[5a,6]-3:S[5a]-2:H-1:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6,6a])	O[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(H)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6,6a]){1|H<1>,2|C<3>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a]){1|N<2>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(H){1|C<3>,1|H<1>,1|O<2>}	124.4715	0.110	2	123.9710	0.241	6	124.0982	0.131	14	124.0982	0.131	14	124.4333	2.851	180	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a]	3:3:2:	3:3:	3:2:1:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6,6a]-3:	C[5a,6]-3:S[5a]-2:H-1:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6,6a])	O[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(H)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6,6a]){3|C<3>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a]){1|F<1>,1|H<1>,1|O<2>,1|S<2>,3|C<3>}	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(H){1|O<2>,2|C<3>}	123.1670	0.000	1	123.9710	0.241	6	124.0982	0.131	14	124.0982	0.131	14	124.4333	2.851	180	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a]	3:3:2:	3:3:	3:2:1:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6,6a]-3:	C[5a,6]-3:S[5a]-2:H-1:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6,6a])	O[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]N[6a])	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(H)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6,6a]){1|C<3>,1|H<1>,1|N<2>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]N[6a]){1|H<1>,1|N<2>,1|O<2>,1|S<2>,2|C<3>}	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(H){1|C<3>,1|H<1>,1|O<2>}	124.2207	0.245	6	124.1936	0.046	8	124.0982	0.131	14	124.0982	0.131	14	124.4333	2.851	180	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a]	3:3:2:	3:3:	3:2:1:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6,6a]-3:	C[5a,6]-3:S[5a]-2:H-1:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6,6a])	O[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]N[6a])	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(H)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6,6a]){1|C<3>,1|H<1>,1|N<2>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]N[6a]){1|H<1>,1|O<2>,1|S<2>,3|C<3>}	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(H){1|C<3>,1|H<1>,1|O<2>}	124.1125	0.067	2	124.1936	0.046	8	124.0982	0.131	14	124.0982	0.131	14	124.4333	2.851	180	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a]	3:3:2:	3:3:	3:2:3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6,6a]-3:	C[5a,6]-3:S[5a]-2:C-3:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6,6a])	O[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(COO)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6,6a]){1|H<1>,2|C<3>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a]){1|F<1>,1|O<2>,1|S<2>,4|C<3>}	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(COO){1|C<3>,1|H<1>,1|O<2>}	124.5370	0.000	1	124.5370	0.000	1	124.5370	0.000	1	124.5370	0.000	1	124.4333	2.851	180	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a]	3:3:2:	3:3:	3:3:1:	N[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6,6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(O[6]C[6,6a])	O[6](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]O[6])(H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(O[6]C[6,6a]){2|H<1>,4|C<3>}	O[6](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]O[6])(H){1|C<4>,1|H<1>,3|C<3>}	126.5120	0.000	1	126.5120	0.000	1	126.5120	0.000	1	126.5120	0.000	1	124.4333	2.851	180	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a]	3:3:2:	3:3:	3:3:4:	N[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](N[5a,6]N[5a]S[6])(C[5a]C[5a]C)(O[6]C[6])	O[6](C[5a,6]N[5a,6]C[5a])(C[6]N[6]N)	C[5a](C[5a,6]N[5a,6]O[6])(C[5a]N[5a]C)(CH3)	C[5a,6](N[5a,6]N[5a]S[6])(C[5a]C[5a]C)(O[6]C[6]){1|C<4>,1|N<2>,1|N<3>,2|O<1>}	O[6](C[5a,6]N[5a,6]C[5a])(C[6]N[6]N){1|C<3>,1|C<4>,1|N<2>,1|S<4>}	C[5a](C[5a,6]N[5a,6]O[6])(C[5a]N[5a]C)(CH3){1|C<3>,1|S<4>}	128.9590	0.000	1	128.9590	0.000	1	128.9590	0.000	1	128.9590	0.000	1	124.4333	2.851	180	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a]	3:3:2:	3:4:	3:2:1:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[5,6]-4:	C[5a,6]-3:S[5a]-2:Br-1:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Br)(O[6]C[5,6])	O[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(Br)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Br)(O[6]C[5,6]){1|Br<1>,1|H<1>,2|C<4>}	O[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5]H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|S<2>,3|H<1>}	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(Br){1|Br<1>,1|C<4>,1|O<2>}	124.7990	0.352	2	124.7125	0.056	4	124.7125	0.056	4	124.6643	0.587	72	124.4333	2.851	180	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a]	3:3:2:	3:4:	3:2:1:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[5,6]-4:	C[5a,6]-3:S[5a]-2:Br-1:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Br)(O[6]C[5,6])	O[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(Br)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Br)(O[6]C[5,6]){1|Br<1>,1|H<1>,2|C<4>}	O[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5]H){1|Br<1>,1|C<3>,1|C<4>,1|S<2>,2|O<2>,3|H<1>}	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(Br){1|Br<1>,1|C<4>,1|O<2>}	124.6260	0.123	2	124.7125	0.056	4	124.7125	0.056	4	124.6643	0.587	72	124.4333	2.851	180	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a]	3:3:2:	3:4:	3:2:1:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:S[5a]-2:Br-1:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Br)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CH)	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(Br)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Br)(O[6]C[6]){1|Br<1>,1|H<1>,2|C<4>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CH){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<2>,1|S<2>}	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(Br){1|Br<1>,1|C<4>,1|O<2>}	125.2735	0.465	2	125.2735	0.216	2	125.1996	0.649	18	124.6643	0.587	72	124.4333	2.851	180	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a]	3:3:2:	3:4:	3:2:1:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:S[5a]-2:Br-1:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Br)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(Br)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Br)(O[6]C[6]){1|Br<1>,1|C<4>,2|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|Br<1>,1|C<3>,1|O<2>,1|S<2>,2|H<1>}	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(Br){1|Br<1>,1|C<4>,1|O<2>}	125.5549	0.888	8	125.1904	0.720	16	125.1996	0.649	18	124.6643	0.587	72	124.4333	2.851	180	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a]	3:3:2:	3:4:	3:2:1:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:S[5a]-2:Br-1:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Br)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(Br)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Br)(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|Br<1>,1|C<3>,1|O<2>,1|S<2>,2|H<1>}	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(Br){1|C<3>,1|C<4>,1|O<2>}	124.3628	0.140	4	125.1904	0.720	16	125.1996	0.649	18	124.6643	0.587	72	124.4333	2.851	180	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a]	3:3:2:	3:4:	3:2:1:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:S[5a]-2:Br-1:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Br)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(Br)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Br)(O[6]C[6]){1|Si<4>,1|C<4>,2|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|Br<1>,1|C<3>,1|O<2>,1|S<2>,2|H<1>}	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(Br){1|Si<4>,1|C<4>,1|O<2>}	124.7955	0.640	2	125.1904	0.720	16	125.1996	0.649	18	124.6643	0.587	72	124.4333	2.851	180	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a]	3:3:2:	3:4:	3:2:1:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:S[5a]-2:Br-1:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Br)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(Br)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Br)(O[6]C[6]){2|C<4>,2|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|Br<1>,1|C<3>,1|O<2>,1|S<2>,2|H<1>}	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(Br){1|O<2>,2|C<4>}	125.7825	0.074	2	125.1904	0.720	16	125.1996	0.649	18	124.6643	0.587	72	124.4333	2.851	180	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a]	3:3:2:	3:4:	3:2:1:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:S[5a]-2:Cl-1:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Cl)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(Cl)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Cl)(O[6]C[6]){1|Cl<1>,1|C<4>,2|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|Cl<1>,1|C<3>,1|O<2>,1|S<2>,2|H<1>}	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(Cl){1|Cl<1>,1|C<4>,1|O<2>}	124.8730	0.721	2	124.8730	0.520	2	124.8730	0.520	2	124.6643	0.587	72	124.4333	2.851	180	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a]	3:3:2:	3:4:	3:2:1:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:S[5a]-2:H-1:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CH)	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(H)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6]){2|C<4>,2|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CH){1|C<3>,1|O<2>,1|S<2>,3|H<1>}	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(H){1|C<4>,1|H<1>,1|O<2>}	124.2845	0.486	2	124.2845	0.236	2	124.4951	0.205	34	124.6643	0.587	72	124.4333	2.851	180	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a]	3:3:2:	3:4:	3:2:1:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:S[5a]-2:H-1:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(H)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6]){1|B<3>,1|C<4>,2|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|C<3>,1|O<2>,1|S<2>,3|H<1>}	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(H){1|B<3>,1|C<4>,1|O<2>}	123.7730	0.000	1	124.5083	0.207	32	124.4951	0.205	34	124.6643	0.587	72	124.4333	2.851	180	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a]	3:3:2:	3:4:	3:2:1:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:S[5a]-2:H-1:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(H)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|C<3>,1|O<2>,1|S<2>,3|H<1>}	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(H){1|C<3>,1|C<4>,1|O<2>}	124.5394	0.454	27	124.5083	0.207	32	124.4951	0.205	34	124.6643	0.587	72	124.4333	2.851	180	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a]	3:3:2:	3:4:	3:2:1:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:S[5a]-2:H-1:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(H)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6]){1|C<4>,3|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(H){1|C<4>,1|H<1>,1|O<2>}	124.6035	0.449	2	124.5083	0.207	32	124.4951	0.205	34	124.6643	0.587	72	124.4333	2.851	180	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a]	3:3:2:	3:4:	3:2:1:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:S[5a]-2:H-1:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(H)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6]){1|Si<4>,1|C<4>,2|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|C<3>,1|O<2>,1|S<2>,3|H<1>}	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(H){1|Si<4>,1|C<4>,1|O<2>}	124.0130	0.000	1	124.5083	0.207	32	124.4951	0.205	34	124.6643	0.587	72	124.4333	2.851	180	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a]	3:3:2:	3:4:	3:2:1:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:S[5a]-2:H-1:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(H)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6]){2|C<4>,2|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|C<3>,1|O<2>,1|S<2>,3|H<1>}	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(H){1|O<2>,2|C<4>}	124.7080	0.000	1	124.5083	0.207	32	124.4951	0.205	34	124.6643	0.587	72	124.4333	2.851	180	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a]	3:3:2:	3:4:	3:2:1:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:S[5a]-2:I-1:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]I)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(I)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]I)(O[6]C[6]){1|C<4>,1|I<1>,2|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|C<3>,1|I<1>,1|O<2>,1|S<2>,2|H<1>}	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(I){1|C<4>,1|I<1>,1|O<2>}	125.1750	0.505	2	124.3436	1.196	14	124.3436	1.196	14	124.6643	0.587	72	124.4333	2.851	180	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a]	3:3:2:	3:4:	3:2:1:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:S[5a]-2:I-1:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]I)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(I)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]I)(O[6]C[6]){1|C<4>,1|P<3>,2|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|C<3>,1|I<1>,1|O<2>,1|S<2>,2|H<1>}	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(I){1|C<4>,1|O<2>,1|P<3>}	124.4865	0.101	2	124.3436	1.196	14	124.3436	1.196	14	124.6643	0.587	72	124.4333	2.851	180	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a]	3:3:2:	3:4:	3:2:1:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:S[5a]-2:I-1:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]I)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(I)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]I)(O[6]C[6]){1|Si<4>,1|C<4>,2|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|C<3>,1|I<1>,1|O<2>,1|S<2>,2|H<1>}	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(I){1|Si<4>,1|C<4>,1|O<2>}	123.6202	1.802	4	124.3436	1.196	14	124.3436	1.196	14	124.6643	0.587	72	124.4333	2.851	180	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a]	3:3:2:	3:4:	3:2:1:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:S[5a]-2:I-1:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]I)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(I)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]I)(O[6]C[6]){2|C<4>,2|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|C<3>,1|I<1>,1|O<2>,1|S<2>,2|H<1>}	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(I){1|O<2>,2|C<4>}	124.5010	0.612	6	124.3436	1.196	14	124.3436	1.196	14	124.6643	0.587	72	124.4333	2.851	180	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a]	3:3:2:	3:4:	3:2:2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:S[5a]-2:C-2:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(CC)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6]){1|C<2>,1|C<4>,2|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|C<2>,1|C<3>,1|O<2>,1|S<2>,2|H<1>}	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(CC){1|C<2>,1|C<4>,1|O<2>}	123.4458	0.149	6	123.4458	0.022	6	123.4458	0.022	6	123.5523	0.098	7	124.4333	2.851	180	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a]	3:3:2:	3:4:	3:2:2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:S[5a]-2:S-2:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]S)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(SC)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]S)(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|C<3>,1|O<2>,2|H<1>,2|S<2>}	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(SC){1|C<3>,1|C<4>,1|O<2>}	124.1910	0.000	1	124.1910	0.000	1	124.1910	0.000	1	123.5523	0.098	7	124.4333	2.851	180	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a]	3:3:2:	3:4:	3:2:3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:S[5a]-2:B[5]-3:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]B[5])(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(B[5]O[5]2)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]B[5])(O[6]C[6]){1|C<4>,2|O<2>,3|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|B<3>,1|C<3>,1|O<2>,1|S<2>,2|H<1>}	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(B[5]O[5]2){1|H<1>,1|O<2>,3|C<4>}	123.4710	0.000	1	123.4710	0.000	1	123.4710	0.000	1	123.6619	0.157	9	124.4333	2.851	180	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a]	3:3:2:	3:4:	3:2:3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:S[5a]-2:C-3:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(CCC)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6]){1|Br<1>,1|C<4>,2|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(CCC){1|Br<1>,1|C<4>,1|O<2>}	123.4920	0.000	1	123.8183	0.084	3	123.6419	0.185	7	123.6619	0.157	9	124.4333	2.851	180	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a]	3:3:2:	3:4:	3:2:3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:S[5a]-2:C-3:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(CCC)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6]){1|C<4>,3|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(CCC){1|C<4>,1|H<1>,1|O<2>}	123.9815	0.095	2	123.8183	0.084	3	123.6419	0.185	7	123.6619	0.157	9	124.4333	2.851	180	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a]	3:3:2:	3:4:	3:2:3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:S[5a]-2:C-3:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(CCH)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6]){1|C<4>,3|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(CCH){1|C<4>,1|H<1>,1|O<2>}	123.0200	0.000	1	123.0200	0.000	1	123.6419	0.185	7	123.6619	0.157	9	124.4333	2.851	180	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a]	3:3:2:	3:4:	3:2:3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:S[5a]-2:C-3:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(CCS)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(CCS){1|C<3>,1|C<4>,1|O<2>}	123.3150	0.000	1	123.3150	0.000	1	123.6419	0.185	7	123.6619	0.157	9	124.4333	2.851	180	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a]	3:3:2:	3:4:	3:2:3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:S[5a]-2:C-3:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(CHN)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6]){1|C<4>,3|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(CHN){1|C<4>,1|H<1>,1|O<2>}	123.4870	0.000	1	123.4870	0.000	1	123.6419	0.185	7	123.6619	0.157	9	124.4333	2.851	180	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a]	3:3:2:	3:4:	3:2:3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:S[5a]-2:C-3:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(CHO)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6]){1|C<4>,3|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(CHO){1|C<4>,1|H<1>,1|O<2>}	124.2160	0.000	1	124.2160	0.000	1	123.6419	0.185	7	123.6619	0.157	9	124.4333	2.851	180	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a]	3:3:2:	3:4:	3:2:3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C[6])(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(C[6]C[6]2)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C[6])(O[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(C[6]C[6]2){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	123.9930	0.000	1	123.9930	0.000	1	123.9930	0.000	1	123.6619	0.157	9	124.4333	2.851	180	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a]	3:3:2:	3:4:	3:2:4:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:S[5a]-2:C-4:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(CC[5a]CH)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6]){1|C<4>,1|I<1>,2|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(CC[5a]CH){1|C<4>,1|I<1>,1|O<2>}	123.2385	1.081	2	123.2385	1.169	2	123.1721	0.968	7	123.2862	0.788	14	124.4333	2.851	180	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a]	3:3:2:	3:4:	3:2:4:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:S[5a]-2:C-4:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(CC[5a]HH)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6]){1|Br<1>,1|C<4>,2|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(CC[5a]HH){1|Br<1>,1|C<4>,1|O<2>}	122.2480	1.375	2	122.2480	1.890	2	123.1721	0.968	7	123.2862	0.788	14	124.4333	2.851	180	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a]	3:3:2:	3:4:	3:2:4:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:S[5a]-2:C-4:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(CHHN)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6]){1|C<4>,1|I<1>,2|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(CHHN){1|C<4>,1|I<1>,1|O<2>}	123.8295	0.101	2	123.8295	0.010	2	123.1721	0.968	7	123.2862	0.788	14	124.4333	2.851	180	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a]	3:3:2:	3:4:	3:2:4:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:S[5a]-2:C-4:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(CHHO)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6]){1|C<4>,3|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(CHHO){1|C<4>,1|H<1>,1|O<2>}	123.5730	0.000	1	123.5730	0.000	1	123.1721	0.968	7	123.2862	0.788	14	124.4333	2.851	180	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a]	3:3:2:	3:4:	3:2:4:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:S[5a]-2:Si-4:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Si)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(SiC3)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Si)(O[6]C[6]){1|C<4>,1|I<1>,2|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|Si<4>,1|C<3>,1|O<2>,1|S<2>,2|H<1>}	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(SiC3){1|C<4>,1|I<1>,1|O<2>}	122.8865	0.556	2	122.8865	0.310	2	123.4003	0.710	7	123.2862	0.788	14	124.4333	2.851	180	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a]	3:3:2:	3:4:	3:2:4:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:S[5a]-2:Si-4:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Si)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(SiC[5a]3)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Si)(O[6]C[6]){1|C<4>,3|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|Si<4>,1|C<3>,1|O<2>,1|S<2>,2|H<1>}	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(SiC[5a]3){1|C<4>,1|H<1>,1|O<2>}	123.2980	0.000	1	123.2980	0.000	1	123.4003	0.710	7	123.2862	0.788	14	124.4333	2.851	180	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a]	3:3:2:	3:4:	3:2:4:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:S[5a]-2:Si-4:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Si)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(SiC[5a]CC)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Si)(O[6]C[6]){1|Br<1>,1|C<4>,2|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|Si<4>,1|C<3>,1|O<2>,1|S<2>,2|H<1>}	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(SiC[5a]CC){1|Br<1>,1|C<4>,1|O<2>}	122.8760	0.074	2	123.6827	1.030	4	123.4003	0.710	7	123.2862	0.788	14	124.4333	2.851	180	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a]	3:3:2:	3:4:	3:2:4:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:S[5a]-2:Si-4:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Si)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(SiC[5a]CC)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Si)(O[6]C[6]){1|C<4>,1|I<1>,2|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|Si<4>,1|C<3>,1|O<2>,1|S<2>,2|H<1>}	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(SiC[5a]CC){1|C<4>,1|I<1>,1|O<2>}	124.4895	0.694	2	123.6827	1.030	4	123.4003	0.710	7	123.2862	0.788	14	124.4333	2.851	180	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a]	3:3:2:	3:4:	3:3:1:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:N[5a]-3:H-1:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]N[5a]H)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a](C[5a,6]C[5a,6]O[6])(N[5a]C[5a]H)(H)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]N[5a]H)(O[6]C[6]){1|C<3>,1|C<4>,3|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	C[5a](C[5a,6]C[5a,6]O[6])(N[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|O<2>}	128.9790	0.000	1	128.9790	0.000	1	128.9790	0.000	1	131.4620	4.882	4	124.4333	2.851	180	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a]	3:3:2:	3:4:	3:3:1:	N[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:B[6]-4:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](N[5a,6]C[6,6]N[5a])(C[5a]C[5a]H)(O[6]B[6])	O[6](C[5a,6]N[5a,6]C[5a])(B[6]N[6,6]C[6a]2)	C[5a](C[5a,6]N[5a,6]O[6])(C[5a]C[6a]N[5a])(H)	C[5a,6](N[5a,6]C[6,6]N[5a])(C[5a]C[5a]H)(O[6]B[6]){1|N<3>,4|C<3>}	O[6](C[5a,6]N[5a,6]C[5a])(B[6]N[6,6]C[6a]2){1|H<1>,1|N<2>,7|C<3>}	C[5a](C[5a,6]N[5a,6]O[6])(C[5a]C[6a]N[5a])(H){1|B<4>,3|C<3>}	134.3280	0.000	1	134.3280	0.000	1	134.3280	0.000	1	131.4620	4.882	4	124.4333	2.851	180	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a]	3:3:2:	3:4:	3:3:1:	N[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:S[6]-4:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]H)(O[6]S[6])	O[6](C[5a,6]N[5a,6]C[5a])(S[6]N[6]OO)	C[5a](C[5a,6]N[5a,6]O[6])(C[5a]N[5a]C)(H)	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]H)(O[6]S[6]){1|C<4>,1|N<2>,1|N<3>,2|O<1>}	O[6](C[5a,6]N[5a,6]C[5a])(S[6]N[6]OO){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a,6]N[5a,6]O[6])(C[5a]N[5a]C)(H){1|C<3>,1|S<4>}	131.2705	0.439	2	131.2705	0.193	2	131.2705	0.193	2	131.4620	4.882	4	124.4333	2.851	180	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5]-3:S[5a]-2:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C[5])(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a](C[5a,6]C[5a,6]O[6])(C[5]C[5,6]P[5])(S[5a]C[5a])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C[5])(O[6]C[6]){1|C<3>,1|C<4>,1|P<3>,3|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6]C[5a,6]O[6])(C[5]C[5,6]P[5])(S[5a]C[5a]){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	123.6445	0.535	2	123.6445	0.287	2	123.6445	0.287	2	123.8775	0.408	41	124.4333	2.851	180	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:S[5a]-2:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[5a]S[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[5a,6]S[5a])(S[5a]C[5a])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[5a]S[5a])(O[6]C[6]){1|Br<1>,1|C<3>,1|C<4>,1|S<2>,2|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[5a,6]S[5a])(S[5a]C[5a]){1|Br<1>,1|C<4>,2|C<3>,2|O<2>}	123.4820	0.000	1	123.2890	0.132	6	123.3752	0.104	9	123.8775	0.408	41	124.4333	2.851	180	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:S[5a]-2:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[5a]S[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[5a,6]S[5a])(S[5a]C[5a])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[5a]S[5a])(O[6]C[6]){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[5a,6]S[5a])(S[5a]C[5a]){1|C<4>,1|H<1>,1|O<2>,1|S<2>,2|C<3>}	123.3750	0.484	2	123.2890	0.132	6	123.3752	0.104	9	123.8775	0.408	41	124.4333	2.851	180	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:S[5a]-2:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[5a]S[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[5a,6]S[5a])(S[5a]C[5a])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[5a]S[5a])(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>,2|S<2>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[5a,6]S[5a])(S[5a]C[5a]){1|C<4>,1|S<2>,2|C<3>,2|O<2>}	122.8720	0.000	1	123.2890	0.132	6	123.3752	0.104	9	123.8775	0.408	41	124.4333	2.851	180	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:S[5a]-2:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[5a]S[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[5a,6]S[5a])(S[5a]C[5a])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[5a]S[5a])(O[6]C[6]){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[5a,6]S[5a])(S[5a]C[5a]){1|C<4>,1|O<2>,1|S<2>,3|C<3>}	123.3150	0.444	2	123.2890	0.132	6	123.3752	0.104	9	123.8775	0.408	41	124.4333	2.851	180	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:S[5a]-2:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[5a]S[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[5a]S[5a])(S[5a]C[5a])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[5a]S[5a])(O[6]C[6]){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[5a]S[5a])(S[5a]C[5a]){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	123.4110	0.000	1	123.5477	0.020	3	123.3752	0.104	9	123.8775	0.408	41	124.4333	2.851	180	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:S[5a]-2:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[5a]S[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[5a]S[5a])(S[5a]C[5a])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[5a]S[5a])(O[6]C[6]){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[5a]S[5a])(S[5a]C[5a]){1|C<2>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	123.5390	0.000	1	123.5477	0.020	3	123.3752	0.104	9	123.8775	0.408	41	124.4333	2.851	180	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:S[5a]-2:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[5a]S[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[5a]S[5a])(S[5a]C[5a])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[5a]S[5a])(O[6]C[6]){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[5a]S[5a])(S[5a]C[5a]){1|C<4>,1|H<1>,1|O<2>,1|S<2>,2|C<3>}	123.6930	0.000	1	123.5477	0.020	3	123.3752	0.104	9	123.8775	0.408	41	124.4333	2.851	180	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[6a]-3:S[5a]-2:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[6a]S[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[5a,6a]C[6a])(S[5a]C[5a])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[6a]S[5a])(O[6]C[6]){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[5a,6a]C[6a])(S[5a]C[5a]){1|Br<1>,1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	123.8670	0.298	2	123.7033	0.150	7	124.0756	0.418	28	123.8775	0.408	41	124.4333	2.851	180	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[6a]-3:S[5a]-2:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[6a]S[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[5a,6a]C[6a])(S[5a]C[5a])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[6a]S[5a])(O[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[5a,6a]C[6a])(S[5a]C[5a]){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	123.6378	0.429	5	123.7033	0.150	7	124.0756	0.418	28	123.8775	0.408	41	124.4333	2.851	180	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[6a]-3:S[5a]-2:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[6a]S[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a,6a]C[6a])(S[5a]C[5a])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[6a]S[5a])(O[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a,6a]C[6a])(S[5a]C[5a]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	123.5400	0.525	2	123.5400	0.275	2	124.0756	0.418	28	123.8775	0.408	41	124.4333	2.851	180	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[6a]-3:S[5a]-2:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[6a]S[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(S[5a]C[5a])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[6a]S[5a])(O[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(S[5a]C[5a]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	123.9260	0.356	2	124.1207	0.177	3	124.0756	0.418	28	123.8775	0.408	41	124.4333	2.851	180	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[6a]-3:S[5a]-2:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[6a]S[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(S[5a]C[5a])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[6a]S[5a])(O[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	124.5100	0.000	1	124.1207	0.177	3	124.0756	0.418	28	123.8775	0.408	41	124.4333	2.851	180	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[6a]-3:S[5a]-2:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[6a]S[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]N[6a])(S[5a]C[5a])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[6a]S[5a])(O[6]C[6]){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]N[6a])(S[5a]C[5a]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	124.3760	0.448	4	124.2971	0.496	16	124.0756	0.418	28	123.8775	0.408	41	124.4333	2.851	180	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[6a]-3:S[5a]-2:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[6a]S[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]N[6a])(S[5a]C[5a])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[6a]S[5a])(O[6]C[6]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]N[6a])(S[5a]C[5a]){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	124.2708	0.786	12	124.2971	0.496	16	124.0756	0.418	28	123.8775	0.408	41	124.4333	2.851	180	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:P-3:S[5a]-2:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]P)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a](C[5a,6]C[5a,6]O[6])(PC[5a]C[6a])(S[5a]C[5a])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]P)(O[6]C[6]){1|C<4>,1|I<1>,2|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|C<3>,1|O<2>,1|P<3>,1|S<2>,2|H<1>}	C[5a](C[5a,6]C[5a,6]O[6])(PC[5a]C[6a])(S[5a]C[5a]){1|C<4>,1|I<1>,1|O<2>}	123.5960	0.532	2	123.5960	0.283	2	123.5960	0.283	2	123.8775	0.408	41	124.4333	2.851	180	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a]	3:3:2:	3:4:	3:3:3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:C-3:	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]C)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CH)	C[5a](C[5a,6]C[5a,6]O[6])(C[5a]O[5a]H)(CC[6a]O)	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]C)(O[6]C[6]){1|O<1>,2|C<4>,2|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CH){1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a,6]C[5a,6]O[6])(C[5a]O[5a]H)(CC[6a]O){1|C<3>,1|C<4>}	127.8550	0.000	1	127.8550	0.000	1	127.8550	0.000	1	128.8138	3.242	5	124.4333	2.851	180	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a]	3:3:2:	3:4:	3:3:3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:N[5a]-3:C-3:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]N[5a]C)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a](C[5a,6]C[5a,6]O[6])(N[5a]C[5a]H)(CCH)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]N[5a]C)(O[6]C[6]){1|C<4>,4|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6]C[5a,6]O[6])(N[5a]C[5a]H)(CCH){1|C<4>,1|H<1>,1|O<2>}	126.1090	0.000	1	126.1090	0.000	1	126.1090	0.000	1	128.8138	3.242	5	124.4333	2.851	180	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a]	3:3:2:	3:4:	3:3:3:	N[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[3x6]-4:	C[5a,6]-3:C[5a]-3:C-3:	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]C)(O[6]C[3x6])	O[6](C[5a,6]N[5a,6]C[5a])(C[3x6]C[3x6]2O[6])	C[5a](C[5a,6]N[5a,6]O[6])(C[5a]N[5a]C)(CC[6a]O)	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]C)(O[6]C[3x6]){1|O<2>,2|C<4>,3|C<3>}	O[6](C[5a,6]N[5a,6]C[5a])(C[3x6]C[3x6]2O[6]){1|N<2>,2|C<3>,2|H<1>,5|C<4>}	C[5a](C[5a,6]N[5a,6]O[6])(C[5a]N[5a]C)(CC[6a]O){2|C<4>}	130.2280	0.000	1	130.2280	0.000	1	130.2280	0.000	1	128.8138	3.242	5	124.4333	2.851	180	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a]	3:3:2:	3:4:	3:3:3:	N[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:C-3:	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]C)(O[6]C[6])	O[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HO)	C[5a](C[5a,6]N[5a,6]O[6])(C[5a]N[5a]C)(CCO)	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]C)(O[6]C[6]){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HO){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6]N[5a,6]O[6])(C[5a]N[5a]C)(CCO){2|C<4>}	129.6200	0.000	1	129.6200	0.000	1	129.9385	0.203	2	128.8138	3.242	5	124.4333	2.851	180	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a]	3:3:2:	3:4:	3:3:3:	N[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:C-3:	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]C)(O[6]C[6])	O[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6a]O[6]H)	C[5a](C[5a,6]N[5a,6]O[6])(C[5a]N[5a]C)(CC[6a]O)	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]C)(O[6]C[6]){1|H<1>,1|O<2>,4|C<3>}	O[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6a]O[6]H){1|C<4>,1|N<2>,4|C<3>}	C[5a](C[5a,6]N[5a,6]O[6])(C[5a]N[5a]C)(CC[6a]O){2|C<4>}	130.2570	0.000	1	130.2570	0.000	1	129.9385	0.203	2	128.8138	3.242	5	124.4333	2.851	180	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a]	3:3:2:	3:4:	3:4:2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C-4:S[5a]-2:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a](C[5a,6]C[5a,6]O[6])(CC[5a]C[6a]H)(S[5a]C[5a])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6]){1|C<4>,1|I<1>,2|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[5a](C[5a,6]C[5a,6]O[6])(CC[5a]C[6a]H)(S[5a]C[5a]){1|C<4>,1|I<1>,1|O<2>}	123.6200	0.123	2	123.6200	0.015	2	123.6200	0.015	2	123.5378	0.123	8	124.4333	2.851	180	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a]	3:3:2:	3:4:	3:4:2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5]-4:S[5a]-2:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C[5])(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a](C[5a,6]C[5a,6]O[6])(C[5]C[5]2Fe)(S[5a]C[5a])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C[5])(O[6]C[6]){1|Fe<10>,2|H<1>,4|C<4>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[5a](C[5a,6]C[5a,6]O[6])(C[5]C[5]2Fe)(S[5a]C[5a]){1|O<2>,2|H<1>,4|C<4>}	123.5103	0.408	6	123.5103	0.166	6	123.5103	0.166	6	123.5378	0.123	8	124.4333	2.851	180	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a]	3:3:2:	4:3:	3:3:1:	C[5a,6]-3:C[5a]-3:O[6]-2:	B[6,6]-4:C[5a,6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(O[6]B[6,6])	O[6](B[6,6]N[5a,6,6]N[5a,6]F)(C[5a,6]C[5a,6]C[5a])	C[5a](C[5a,6]C[5a,6]O[6])(C[5a]S[5a]H)(H)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(O[6]B[6,6]){1|C<3>,1|F<1>,1|H<1>,2|N<3>}	O[6](B[6,6]N[5a,6,6]N[5a,6]F)(C[5a,6]C[5a,6]C[5a]){1|H<1>,1|S<2>,5|C<3>}	C[5a](C[5a,6]C[5a,6]O[6])(C[5a]S[5a]H)(H){1|B<4>,1|C<3>}	123.4940	0.000	1	123.4940	0.000	1	123.4940	0.000	1	121.2530	3.774	3	124.4333	2.851	180	124.2235	3.823	197
727	622	727	0:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a]	3:3:2:	4:3:	3:3:1:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[4x6]-4:C[5a,6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]C[6,6a]S[5a])(C[5a]C[5a]H)(O[6]C[4x6])	O[6](C[4x6]C[3x6,6a]C[6,6,6a]2)(C[5a,6]C[5a,6]C[5a])	C[5a](C[5a,6]C[5a,6]O[6])(C[5a]S[5a]H)(H)	C[5a,6](C[5a,6]C[6,6a]S[5a])(C[5a]C[5a]H)(O[6]C[4x6]){1|H<1>,4|C<3>}	O[6](C[4x6]C[3x6,6a]C[6,6,6a]2)(C[5a,6]C[5a,6]C[5a]){1|H<1>,1|S<2>,7|C<3>}	C[5a](C[5a,6]C[5a,6]O[6])(C[5a]S[5a]H)(H){1|C<3>,1|C<4>}	120.1325	0.118	2	120.1325	0.014	2	120.1325	0.014	2	121.2530	3.774	3	124.4333	2.851	180	124.2235	3.823	197
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:2:2:	3:3:	3:3:4:	C[5a,6]-3:N[5a]-2:O[6]-2:	C[5a,6]-3:C[6,6a]-3:	N[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[5a,6]N[5a,6a]C[6])(N[5a]C[5a,6a])(O[6]C[6,6a])	O[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6,6a]HH)	C[5a,6](C[5a,6]N[5a,6a]C[6])(N[5a]C[5a,6a])(O[6]C[6,6a]){2|H<1>,4|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6,6a]HH){1|H<1>,4|C<3>}	123.6930	0.000	1	123.6930	0.000	1	123.6930	0.000	1	126.1798	2.361	5	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:2:2:	3:3:	3:3:4:	C[5a,6]-3:N[5a]-2:O[6]-2:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N)	C[5a,6](C[5a,6]N[5a]O[6])(C[5a]N[5a]C)(C[6]C[6]CC)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a])(O[6]C[6]){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N){1|C<2>,1|C<3>,1|C<4>,1|N<3>}	C[5a,6](C[5a,6]N[5a]O[6])(C[5a]N[5a]C)(C[6]C[6]CC){1|C<2>,1|C<3>,1|H<1>}	126.3700	0.659	2	126.3700	0.434	2	126.3700	0.434	2	126.1798	2.361	5	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:2:2:	3:3:	3:3:4:	C[5a,6]-3:S[5a]-2:O[6]-2:	C[5a,6]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(S[5a]C[5a,6a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]C)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]O[6])(C[6]C[6a]C[6]H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(S[5a]C[5a,6a])(O[6]C[6]){1|C<4>,1|H<1>,4|C<3>}	O[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]C){1|C<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]O[6])(C[6]C[6a]C[6]H){3|H<1>,5|C<3>}	127.2330	0.733	2	127.2330	0.537	2	127.2330	0.537	2	126.1798	2.361	5	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:2:2:	3:3:	3:4:2:	C[5a,6]-3:N[5a]-2:O[6]-2:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[5a,6](C[5a,6]S[5a]C[6])(N[5a]C[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(S[5a]C[5a])	C[5a,6](C[5a,6]S[5a]C[6])(N[5a]C[5a])(O[6]C[6]){1|C<4>,1|H<1>,3|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(S[5a]C[5a]){2|H<1>,4|C<3>}	124.2790	0.000	1	124.2790	0.000	1	123.6677	0.354	4	123.6677	0.354	4	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:2:2:	3:3:	3:4:2:	C[5a,6]-3:N[5a]-2:O[6]-2:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[5a,6](C[5a,6]S[5a]C[6])(N[5a]C[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(S[5a]C[5a])	C[5a,6](C[5a,6]S[5a]C[6])(N[5a]C[5a])(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(S[5a]C[5a]){1|C<4>,1|H<1>,4|C<3>}	123.4900	0.748	2	123.4640	0.282	3	123.6677	0.354	4	123.6677	0.354	4	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:2:2:	3:3:	3:4:2:	C[5a,6]-3:N[5a]-2:O[6]-2:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[5a,6](C[5a,6]S[5a]C[6])(N[5a]C[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(S[5a]C[5a])	C[5a,6](C[5a,6]S[5a]C[6])(N[5a]C[5a])(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(S[5a]C[5a]){1|H<1>,5|C<3>}	123.4120	0.000	1	123.4640	0.282	3	123.6677	0.354	4	123.6677	0.354	4	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:2:2:	3:3:	3:4:3:	C[5a,6]-3:N[5a]-2:O[6]-2:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N)	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]C)(C[5a]N[5a]C)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a])(O[6]C[6]){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N){1|C<2>,1|C<3>,1|C<4>,1|N<3>}	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]C)(C[5a]N[5a]C){1|C<2>,1|H<1>,3|C<3>}	125.7120	0.000	1	125.7120	0.000	1	125.8058	0.028	4	125.8058	0.028	4	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:2:2:	3:3:	3:4:3:	C[5a,6]-3:N[5a]-2:O[6]-2:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N)	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a])(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N){1|C<2>,1|C<3>,1|C<4>,1|N<3>}	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C){1|C<2>,1|H<1>,3|C<3>}	125.8370	0.190	3	125.8370	0.036	3	125.8058	0.028	4	125.8058	0.028	4	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:2:2:	3:3:	4:3:3:	C[5a,6]-3:N[5a]-2:O[6]-2:	C[5a,6]-3:C[5,6]-3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]N[5a])(O[6]C[5,6])	O[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5])	C[5a,6](C[5,6]C[5,6]C[5]2)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]N[5a])(O[6]C[5,6]){1|H<1>,2|C<4>,3|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5,6]C[5,6]C[5]2)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|H<1>,2|O<1>,4|C<3>}	126.1910	0.000	1	126.1910	0.000	1	126.1910	0.000	1	125.9135	0.091	6	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:2:2:	3:3:	4:3:3:	C[5a,6]-3:N[5a]-2:O[6]-2:	C[5a,6]-3:C[6,6]-3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]N[5a])(O[6]C[6,6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6])	C[5a,6](C[5,6]C[6,6]C[5]2)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]N[5a])(O[6]C[6,6]){1|H<1>,2|C<4>,3|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5,6]C[6,6]C[5]2)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|H<1>,2|O<1>,4|C<3>}	125.6370	0.000	1	125.6370	0.000	1	125.6370	0.000	1	125.9135	0.091	6	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:2:2:	3:3:	4:3:3:	C[5a,6]-3:N[5a]-2:O[6]-2:	C[5a,6]-3:C[6]-3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]N[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N)	C[5a,6](C[5,6]C[5,6a]2C[6])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]N[5a])(O[6]C[6]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N){1|C<2>,1|C<3>,1|C<4>,1|N<3>}	C[5a,6](C[5,6]C[5,6a]2C[6])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|C<2>,1|H<1>,1|N<2>,4|C<3>}	125.7940	0.000	1	125.7940	0.000	1	125.9133	0.100	4	125.9135	0.091	6	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:2:2:	3:3:	4:3:3:	C[5a,6]-3:N[5a]-2:O[6]-2:	C[5a,6]-3:C[6]-3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]N[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N)	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]N[5a])(O[6]C[6]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N){1|C<2>,1|C<3>,1|C<4>,1|N<3>}	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|C<2>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	125.9530	0.375	3	125.9530	0.140	3	125.9133	0.100	4	125.9135	0.091	6	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:2:2:	3:4:	3:3:3:	C[5a,6]-3:N[5a]-2:O[6]-2:	C[5a,6]-3:B[6]-4:	N[5a,6a]-3:C[5,6]-3:C[5a,6]-3:	C[5a,6](C[5a,6]N[5a,6a]C[5,6])(N[5a]C[5a,6a])(O[6]B[6])	O[6](C[5a,6]C[5a,6]N[5a])(B[6]N[5,6]FF)	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(C[5,6]N[5,6]C[5])(C[5a,6]N[5a]O[6])	C[5a,6](C[5a,6]N[5a,6a]C[5,6])(N[5a]C[5a,6a])(O[6]B[6]){1|N<3>,2|F<1>,3|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(B[6]N[5,6]FF){1|N<3>,3|C<3>}	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(C[5,6]N[5,6]C[5])(C[5a,6]N[5a]O[6]){1|B<4>,1|N<3>,2|H<1>,3|C<3>}	126.1995	2.385	2	126.1995	5.689	2	126.1995	5.689	2	126.1995	5.689	2	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:2:2:	3:4:	4:3:3:	C[5a,6]-3:O[5a]-2:O[6]-2:	C[5a,6]-3:C[6]-4:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](C[5a,6]C[6,6]C[5a])(O[5a]N[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6,6]CC)	C[5a,6](C[6,6]C[6,6a]C[6,6]C)(C[5a,6]O[5a]O[6])(C[5a]C[6a]N[5a])	C[5a,6](C[5a,6]C[6,6]C[5a])(O[5a]N[5a])(O[6]C[6]){2|C<3>,4|C<4>}	O[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6,6]CC){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5a,6](C[6,6]C[6,6a]C[6,6]C)(C[5a,6]O[5a]O[6])(C[5a]C[6a]N[5a]){1|H<1>,2|C<4>,4|C<3>}	131.8870	0.000	1	131.8870	0.000	1	131.8870	0.000	1	131.8870	0.000	1	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[5a,6]-3:O[6]-2:	C[5a,6]-3:C[6,6a]-3:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(O[6]C[6,6a])	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])	C[5a,6](C[5a,6]C[5a,6a]O[6])(S[5a]C[5a,6a])(C[6]C[6,6a]S)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(O[6]C[6,6a]){1|H<1>,1|S<1>,4|C<3>}	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|S<2>,5|C<3>}	C[5a,6](C[5a,6]C[5a,6a]O[6])(S[5a]C[5a,6a])(C[6]C[6,6a]S){4|C<3>}	122.7550	0.000	1	122.7550	0.000	1	122.7550	0.000	1	122.7550	0.000	1	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6,6a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6,6a])	O[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6,6a])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6,6a]){1|H<1>,2|C<3>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a]){1|F<1>,1|O<2>,1|S<2>,4|C<3>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6,6a]){3|C<3>}	122.7470	0.000	1	122.7470	0.000	1	122.5282	0.105	15	122.5282	0.105	15	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6,6a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6,6a])	O[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6,6a])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6,6a]){3|C<3>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a]){1|F<1>,1|H<1>,1|O<2>,1|S<2>,3|C<3>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6,6a]){1|H<1>,2|C<3>}	123.1330	0.000	1	123.1330	0.000	1	122.5282	0.105	15	122.5282	0.105	15	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6,6a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6,6a])	O[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6,6a])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6,6a]){1|H<1>,2|C<3>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a]){1|F<1>,1|H<1>,1|O<2>,1|S<2>,3|C<3>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6,6a]){1|H<1>,2|C<3>}	122.7500	0.202	3	122.5888	0.081	5	122.5282	0.105	15	122.5282	0.105	15	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6,6a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6,6a])	O[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6,6a])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6,6a]){1|H<1>,2|C<3>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a]){1|N<2>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6,6a]){1|C<3>,1|H<1>,1|N<2>}	122.3470	0.216	2	122.5888	0.081	5	122.5282	0.105	15	122.5282	0.105	15	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6,6a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6,6a])	O[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]N[6a])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6,6a])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6,6a]){1|C<3>,1|H<1>,1|N<2>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]N[6a]){1|H<1>,1|N<2>,1|O<2>,1|S<2>,2|C<3>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6,6a]){1|C<3>,1|H<1>,1|N<2>}	122.3425	0.311	6	122.3874	0.079	8	122.5282	0.105	15	122.5282	0.105	15	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6,6a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6,6a])	O[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]N[6a])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6,6a])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6,6a]){1|C<3>,1|H<1>,1|N<2>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]N[6a]){1|H<1>,1|O<2>,1|S<2>,3|C<3>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6,6a]){1|H<1>,2|C<3>}	122.5220	0.139	2	122.3874	0.079	8	122.5282	0.105	15	122.5282	0.105	15	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6]C)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(O[6]C[6]){1|N<2>,4|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N){1|C<4>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	126.1130	0.000	1	126.1130	0.000	1	126.1130	0.000	1	126.1130	0.000	1	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)	C[5a,6](C[5a,6]N[5a]O[6])(C[5a]C[6a]N[5a])(C[6]C[6a]C[6]H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6]){2|H<1>,5|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6](C[5a,6]N[5a]O[6])(C[5a]C[6a]N[5a])(C[6]C[6a]C[6]H){1|H<1>,6|C<3>}	129.3350	0.000	1	129.3350	0.000	1	128.3758	0.645	4	127.8975	0.499	12	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N)	C[5a,6](C[5a,6]N[5a]O[6])(C[5a]N[5a]C)(C[6]C[6]CC)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6]){1|N<3>,2|C<4>,4|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N){1|C<2>,1|C<4>,1|N<2>,2|C<3>}	C[5a,6](C[5a,6]N[5a]O[6])(C[5a]N[5a]C)(C[6]C[6]CC){1|C<2>,2|C<3>}	127.6210	0.000	1	127.6210	0.000	1	128.3758	0.645	4	127.8975	0.499	12	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6])	C[5a,6](C[5a,6]N[5a]O[6])(C[5a]N[5a]C)(C[6]C[6]CH)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6]){1|H<1>,2|C<4>,4|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5a,6](C[5a,6]N[5a]O[6])(C[5a]N[5a]C)(C[6]C[6]CH){1|H<1>,2|C<3>}	128.7340	0.000	1	128.7340	0.000	1	128.3758	0.645	4	127.8975	0.499	12	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)	C[5a,6](C[5a,6]N[5a]O[6])(C[5a]C[6a]N[5a])(C[6]C[5a]C[6]H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]N[5a]O[6])(C[5a]C[6a]N[5a])(C[6]C[5a]C[6]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	127.8130	0.000	1	127.8130	0.000	1	128.3758	0.645	4	127.8975	0.499	12	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6]CC)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(O[6]C[6]){1|C<4>,5|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C){1|H<1>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6]CC){1|C<4>,2|H<1>,3|C<3>}	128.6480	0.000	1	128.6480	0.000	1	127.6584	0.312	8	127.8975	0.499	12	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(O[6]C[6]){1|C<4>,1|H<1>,4|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C){1|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H){3|H<1>,6|C<3>}	127.8580	0.204	3	127.8580	0.042	3	127.6584	0.312	8	127.8975	0.499	12	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6]CH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O){1|H<1>,2|C<4>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6]CH){1|C<4>,2|H<1>,4|C<3>}	126.7790	0.000	1	127.0710	0.171	2	127.6584	0.312	8	127.8975	0.499	12	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6]CH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O){2|C<4>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6]CH){1|C<4>,1|H<1>,5|C<3>}	127.3630	0.000	1	127.0710	0.171	2	127.6584	0.312	8	127.8975	0.499	12	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6]CH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O){1|S<4>,2|C<4>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6]CH){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	127.4515	0.238	2	127.4515	0.057	2	127.6584	0.312	8	127.8975	0.499	12	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:3:	3:4:2:	C[5a,6a]-3:C[5a,6]-3:O[6]-2:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(O[6]C[6])	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]N)	C[5a,6](C[5a,6]C[5a,6a]O[6])(C[6]C[6a]C[6]H)(S[5a]C[5a,6a])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(O[6]C[6]){1|N<3>,2|H<1>,4|C<3>}	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]N){1|C<2>,1|C<4>,1|S<2>,2|C<3>}	C[5a,6](C[5a,6]C[5a,6a]O[6])(C[6]C[6a]C[6]H)(S[5a]C[5a,6a]){1|C<2>,5|C<3>}	124.8670	0.000	1	124.1646	0.179	5	124.1646	0.179	5	124.1646	0.179	5	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:3:	3:4:2:	C[5a,6a]-3:C[5a,6]-3:O[6]-2:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(O[6]C[6])	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]N)	C[5a,6](C[5a,6]C[5a,6a]O[6])(C[6]C[6a]C[6]H)(S[5a]C[5a,6a])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(O[6]C[6]){1|N<3>,2|H<1>,4|C<3>}	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]N){1|C<4>,1|S<2>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]O[6])(C[6]C[6a]C[6]H)(S[5a]C[5a,6a]){6|C<3>}	123.9890	0.183	4	124.1646	0.179	5	124.1646	0.179	5	124.1646	0.179	5	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:3:	3:4:3:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6,6a]-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6,6a])	O[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]N[6a])	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6,6a]CH)(C[5a]N[5a]C)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6,6a]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]N[6a]){1|C<4>,1|N<2>,4|C<3>}	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6,6a]CH)(C[5a]N[5a]C){3|C<3>}	128.1240	0.000	1	128.1240	0.000	1	128.1240	0.000	1	127.8975	0.395	11	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:3:	3:4:3:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6]){1|H<1>,2|C<4>,4|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C){1|H<1>,5|C<3>}	127.7390	0.000	1	127.7397	0.286	6	127.8748	0.433	10	127.8975	0.395	11	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:3:	3:4:3:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6]){1|H<1>,2|C<4>,4|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C){1|C<4>,1|N<2>,3|C<3>}	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C){5|C<3>}	127.7398	0.598	5	127.7397	0.286	6	127.8748	0.433	10	127.8975	0.395	11	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:3:	3:4:3:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N)	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N){1|C<2>,1|C<4>,1|N<2>,2|C<3>}	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C){1|C<2>,4|C<3>}	127.3640	0.000	1	127.3640	0.000	1	127.8748	0.433	10	127.8975	0.395	11	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:3:	3:4:3:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6]){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C){1|H<1>,5|C<3>}	128.4400	1.192	2	128.3153	0.757	3	127.8748	0.433	10	127.8975	0.395	11	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:3:	3:4:3:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6]){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C){1|C<4>,1|H<1>,4|C<3>}	128.0660	0.000	1	128.3153	0.757	3	127.8748	0.433	10	127.8975	0.395	11	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:3:	4:3:3:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6,6]-3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6,6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6])	C[5a,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6,6]){2|C<4>,5|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|N<3>,1|O<1>,5|C<3>}	127.5270	0.045	2	127.5270	0.002	2	127.5270	0.002	2	127.4267	1.830	15	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:3:	4:3:3:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6,6a]-3:	C[6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6,6a])	O[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]N[6a])	C[5a,6](C[6]C[6,6a]C[6a]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6,6a]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]N[6a]){1|C<4>,1|N<2>,4|C<3>}	C[5a,6](C[6]C[6,6a]C[6a]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){5|C<3>}	128.3135	0.186	2	128.3135	0.035	2	128.3135	0.035	2	127.4267	1.830	15	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:3:	4:3:3:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N)	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6]){1|C<4>,1|N<2>,5|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N){1|C<2>,1|C<4>,1|N<2>,2|C<3>}	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|C<2>,1|N<3>,1|O<1>,4|C<3>}	127.3750	0.509	2	127.6337	0.181	4	127.1820	4.233	6	127.4267	1.830	15	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:3:	4:3:3:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N)	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6]){1|C<4>,1|N<3>,5|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N){1|C<2>,1|C<4>,1|N<2>,2|C<3>}	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|C<2>,1|N<3>,1|O<1>,4|C<3>}	127.8925	0.125	2	127.6337	0.181	4	127.1820	4.233	6	127.4267	1.830	15	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:3:	4:3:3:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]N[5a]H)(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N)	C[5a,6](C[5,6]C[5,6]C[5]C[6])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]N[5a]H)(O[6]C[6]){1|C<4>,1|N<3>,3|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5a,6](C[5,6]C[5,6]C[5]C[6])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|H<1>,1|N<3>,1|O<1>,2|C<2>,2|C<3>}	123.2640	0.000	1	123.2640	0.000	1	127.1820	4.233	6	127.4267	1.830	15	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:3:	4:3:3:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]N[5a]H)(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N)	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]N[5a]H)(O[6]C[6]){1|C<4>,1|N<3>,3|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|C<2>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	129.2930	0.000	1	129.2930	0.000	1	127.1820	4.233	6	127.4267	1.830	15	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:3:	4:3:3:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-3:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C)	C[5a,6](C[6,6]C[6,6]C[6]H)(C[5a,6]N[5a]O[6])(C[5a]C[6a]N[5a])	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6]){1|H<1>,2|C<4>,4|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C){1|C<4>,1|N<2>,3|C<3>}	C[5a,6](C[6,6]C[6,6]C[6]H)(C[5a,6]N[5a]O[6])(C[5a]C[6a]N[5a]){1|C<4>,2|H<1>,5|C<3>}	128.1410	0.000	1	128.1410	0.000	1	128.1410	0.000	1	127.4267	1.830	15	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:3:	4:3:3:	C[5a,6a]-3:C[5a,6]-3:O[6]-2:	C[5a,6]-3:C[6,6a]-3:	C[5,6]-4:C[5a,6]-3:N[5a]-3:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(O[6]C[6,6a])	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])	C[5a,6](C[5,6]C[5,6a]C[6,6a]C[5])(C[5a,6]C[5a,6a]O[6])(N[5a]C[5a,6a]S)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(O[6]C[6,6a]){1|H<1>,1|S<4>,6|C<3>}	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5a,6](C[5,6]C[5,6a]C[6,6a]C[5])(C[5a,6]C[5a,6a]O[6])(N[5a]C[5a,6a]S){1|N<3>,1|O<1>,6|C<3>}	127.1218	0.726	4	127.1218	0.527	4	127.1218	0.527	4	127.4267	1.830	15	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:4:	3:2:3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]C)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CH)	C[5a,6](C[5a,6]C[5a]O[6])(O[5a]C[5a])(C[6]C[6]O)	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]C)(O[6]C[6]){1|O<1>,2|C<4>,2|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CH){1|O<2>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]O[6])(O[5a]C[5a])(C[6]C[6]O){1|C<3>,1|C<4>,3|H<1>}	124.4500	0.000	1	124.4500	0.000	1	124.4500	0.000	1	123.1875	0.875	4	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:4:	3:2:3:	C[5a,6a]-3:C[5a,6]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(O[6]C[6])	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CC)	C[5a,6](C[5a,6]C[5a,6a]O[6])(S[5a]C[5a,6a])(C[6]C[6]C)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(O[6]C[6]){1|C<4>,1|H<1>,5|C<3>}	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CC){1|H<1>,1|S<2>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]O[6])(S[5a]C[5a,6a])(C[6]C[6]C){1|C<4>,1|H<1>,2|C<3>}	123.3370	0.000	1	123.3370	0.000	1	122.7667	0.249	3	123.1875	0.875	4	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:4:	3:2:3:	C[5a,6a]-3:C[5a,6]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(O[6]C[6])	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)	C[5a,6](C[5a,6]C[5a,6a]O[6])(S[5a]C[5a,6a])(C[6]C[6]C)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(O[6]C[6]){1|C<4>,2|H<1>,4|C<3>}	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH){1|S<2>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]O[6])(S[5a]C[5a,6a])(C[6]C[6]C){1|C<4>,3|C<3>}	122.4815	0.104	2	122.4815	0.011	2	122.7667	0.249	3	123.1875	0.875	4	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[5,6]-4:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Br)(O[6]C[5,6])	O[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Br)(O[6]C[5,6])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Br)(O[6]C[5,6]){1|Br<1>,1|H<1>,2|C<4>}	O[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5]H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|S<2>,3|H<1>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Br)(O[6]C[5,6]){1|Br<1>,1|H<1>,2|C<4>}	122.7815	0.093	2	122.9705	0.114	4	122.9705	0.114	4	122.8056	0.636	152	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[5,6]-4:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Br)(O[6]C[5,6])	O[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Br)(O[6]C[5,6])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Br)(O[6]C[5,6]){1|Br<1>,1|H<1>,2|C<4>}	O[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5]H){1|Br<1>,1|C<3>,1|C<4>,1|S<2>,2|O<2>,3|H<1>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Br)(O[6]C[5,6]){1|Br<1>,1|H<1>,2|C<4>}	123.1595	0.438	2	122.9705	0.114	4	122.9705	0.114	4	122.8056	0.636	152	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[5a]S[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[5a]S[5a])(O[6]C[6])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[5a]S[5a])(O[6]C[6]){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[5a]S[5a])(O[6]C[6]){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	122.3040	0.511	2	122.3040	0.261	2	122.7621	0.428	147	122.8056	0.636	152	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[5a]S[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Br)(O[6]C[6])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[5a]S[5a])(O[6]C[6]){1|Br<1>,1|C<3>,1|C<4>,1|S<2>,2|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Br)(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	122.5590	0.000	1	122.5590	0.000	1	122.7621	0.428	147	122.8056	0.636	152	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[5a]S[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[5a]S[5a])(O[6]C[6]){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	122.8094	0.608	5	122.8094	0.369	5	122.7621	0.428	147	122.8056	0.636	152	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[5a]S[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]S)(O[6]C[6])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[5a]S[5a])(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>,2|S<2>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]S)(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	122.8250	0.000	1	122.8250	0.000	1	122.7621	0.428	147	122.8056	0.636	152	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[6a]S[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[6a]S[5a])(O[6]C[6])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[6a]S[5a])(O[6]C[6]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[6a]S[5a])(O[6]C[6]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	122.5223	0.425	12	122.5223	0.181	12	122.7621	0.428	147	122.8056	0.636	152	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[6a]S[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Br)(O[6]C[6])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[6a]S[5a])(O[6]C[6]){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Br)(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	121.9440	0.000	1	121.9440	0.000	1	122.7621	0.428	147	122.8056	0.636	152	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[6a]S[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[6a]S[5a])(O[6]C[6]){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	122.6893	0.219	4	122.6048	0.167	14	122.7621	0.428	147	122.8056	0.636	152	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[6a]S[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[6a]S[5a])(O[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	122.5710	0.469	10	122.6048	0.167	14	122.7621	0.428	147	122.8056	0.636	152	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]N[5a]C)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]N[5a]H)(O[6]C[6])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]N[5a]C)(O[6]C[6]){1|C<4>,4|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]N[5a]H)(O[6]C[6]){1|C<3>,1|C<4>,3|H<1>}	125.0030	0.000	1	125.0030	0.000	1	122.7621	0.428	147	122.8056	0.636	152	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]N[5a]H)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]N[5a]C)(O[6]C[6])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]N[5a]H)(O[6]C[6]){1|C<3>,1|C<4>,3|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]N[5a]C)(O[6]C[6]){1|C<4>,4|H<1>}	123.5150	0.000	1	123.5150	0.000	1	122.7621	0.428	147	122.8056	0.636	152	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]B[5])(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]B[5])(O[6]C[6]){1|C<4>,2|O<2>,3|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|B<3>,1|C<3>,1|O<2>,1|S<2>,2|H<1>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6]){1|B<3>,1|C<4>,2|H<1>}	122.3540	0.000	1	122.3540	0.000	1	122.7621	0.428	147	122.8056	0.636	152	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Br)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CH)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Br)(O[6]C[6])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Br)(O[6]C[6]){1|Br<1>,1|H<1>,2|C<4>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CH){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<2>,1|S<2>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Br)(O[6]C[6]){1|Br<1>,1|H<1>,2|C<4>}	122.7040	0.853	2	122.7040	0.727	2	122.7621	0.428	147	122.8056	0.636	152	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Br)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[5a]S[5a])(O[6]C[6])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Br)(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|Br<1>,1|C<3>,1|O<2>,1|S<2>,2|H<1>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[5a]S[5a])(O[6]C[6]){1|Br<1>,1|C<3>,1|C<4>,1|S<2>,2|H<1>}	123.5850	0.000	1	123.5850	0.000	1	122.7621	0.428	147	122.8056	0.636	152	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Br)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[6a]S[5a])(O[6]C[6])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Br)(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|Br<1>,1|C<3>,1|O<2>,1|S<2>,2|H<1>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[6a]S[5a])(O[6]C[6]){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	123.9715	0.074	2	123.9715	0.006	2	122.7621	0.428	147	122.8056	0.636	152	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Br)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Br)(O[6]C[6])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Br)(O[6]C[6]){1|Br<1>,1|C<4>,2|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|Br<1>,1|C<3>,1|O<2>,1|S<2>,2|H<1>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Br)(O[6]C[6]){1|Br<1>,1|C<4>,2|H<1>}	122.5344	0.788	8	122.5344	0.622	8	122.7621	0.428	147	122.8056	0.636	152	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Br)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Br)(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|Br<1>,1|C<3>,1|O<2>,1|S<2>,2|H<1>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6]){1|Br<1>,1|C<4>,2|H<1>}	123.4520	0.000	1	122.9667	0.237	3	122.7621	0.428	147	122.8056	0.636	152	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Br)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Br)(O[6]C[6]){2|C<4>,2|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|Br<1>,1|C<3>,1|O<2>,1|S<2>,2|H<1>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6]){1|Br<1>,1|C<4>,2|H<1>}	122.7240	0.348	2	122.9667	0.237	3	122.7621	0.428	147	122.8056	0.636	152	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Br)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Si)(O[6]C[6])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Br)(O[6]C[6]){1|Si<4>,1|C<4>,2|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|Br<1>,1|C<3>,1|O<2>,1|S<2>,2|H<1>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Si)(O[6]C[6]){1|Br<1>,1|C<4>,2|H<1>}	123.7790	0.349	2	123.7790	0.122	2	122.7621	0.428	147	122.8056	0.636	152	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Br)(O[6]C[6])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6]){1|Br<1>,1|C<4>,2|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Br)(O[6]C[6]){2|C<4>,2|H<1>}	123.4545	1.008	2	123.2410	0.644	3	122.7621	0.428	147	122.8056	0.636	152	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Br)(O[6]C[6])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6]){1|Br<1>,1|C<4>,2|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Br)(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	122.8140	0.000	1	123.2410	0.644	3	122.7621	0.428	147	122.8056	0.636	152	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6]){1|C<2>,1|C<4>,2|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|C<2>,1|C<3>,1|O<2>,1|S<2>,2|H<1>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6]){1|C<2>,1|C<4>,2|H<1>}	123.1305	0.369	6	123.1193	0.115	7	122.7621	0.428	147	122.8056	0.636	152	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	123.0520	0.000	1	123.1193	0.115	7	122.7621	0.428	147	122.8056	0.636	152	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6]){1|C<4>,3|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6]){2|C<4>,2|H<1>}	123.0110	0.000	1	123.0737	0.114	6	122.7621	0.428	147	122.8056	0.636	152	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6]){1|C<4>,3|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	123.0862	0.376	5	123.0737	0.114	6	122.7621	0.428	147	122.8056	0.636	152	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]I)(O[6]C[6])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6]){1|C<4>,1|I<1>,2|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]I)(O[6]C[6]){2|C<4>,2|H<1>}	122.3478	0.663	6	122.3478	0.440	6	122.7621	0.428	147	122.8056	0.636	152	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C[5])(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C[5])(O[6]C[6])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C[5])(O[6]C[6]){1|Fe<10>,2|H<1>,4|C<4>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C[5])(O[6]C[6]){1|Fe<10>,2|H<1>,4|C<4>}	122.7693	0.581	6	122.7693	0.337	6	122.7621	0.428	147	122.8056	0.636	152	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C[5])(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C[5])(O[6]C[6]){1|C<3>,1|C<4>,1|P<3>,3|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	122.2510	0.000	1	122.2510	0.000	1	122.7621	0.428	147	122.8056	0.636	152	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C[6])(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C[6])(O[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	122.9380	0.000	1	122.9380	0.000	1	122.7621	0.428	147	122.8056	0.636	152	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Cl)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Cl)(O[6]C[6])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Cl)(O[6]C[6]){1|Cl<1>,1|C<4>,2|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|Cl<1>,1|C<3>,1|O<2>,1|S<2>,2|H<1>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Cl)(O[6]C[6]){1|Cl<1>,1|C<4>,2|H<1>}	122.8620	0.513	2	122.8620	0.264	2	122.7621	0.428	147	122.8056	0.636	152	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CH)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6]){2|C<4>,2|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CH){1|C<3>,1|O<2>,1|S<2>,3|H<1>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6]){1|C<4>,3|H<1>}	122.9255	1.855	2	122.9255	3.440	2	122.7621	0.428	147	122.8056	0.636	152	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[5a]S[5a])(O[6]C[6])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|C<3>,1|O<2>,1|S<2>,3|H<1>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[5a]S[5a])(O[6]C[6]){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	122.5536	0.282	5	122.5536	0.080	5	122.7621	0.428	147	122.8056	0.636	152	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[6a]S[5a])(O[6]C[6])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|C<3>,1|O<2>,1|S<2>,3|H<1>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[6a]S[5a])(O[6]C[6]){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	122.1955	0.595	4	122.5144	0.198	14	122.7621	0.428	147	122.8056	0.636	152	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[6a]S[5a])(O[6]C[6])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|C<3>,1|O<2>,1|S<2>,3|H<1>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[6a]S[5a])(O[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	122.6419	0.324	10	122.5144	0.198	14	122.7621	0.428	147	122.8056	0.636	152	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]B[5])(O[6]C[6])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6]){1|B<3>,1|C<4>,2|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|C<3>,1|O<2>,1|S<2>,3|H<1>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]B[5])(O[6]C[6]){1|C<4>,2|O<2>,3|H<1>}	123.3170	0.000	1	123.3170	0.000	1	122.7621	0.428	147	122.8056	0.636	152	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|C<3>,1|O<2>,1|S<2>,3|H<1>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6]){1|C<4>,3|H<1>}	122.6922	0.473	5	122.6810	0.180	6	122.7621	0.428	147	122.8056	0.636	152	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6]){2|C<4>,2|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|C<3>,1|O<2>,1|S<2>,3|H<1>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6]){1|C<4>,3|H<1>}	122.6250	0.000	1	122.6810	0.180	6	122.7621	0.428	147	122.8056	0.636	152	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C[5])(O[6]C[6])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|C<3>,1|O<2>,1|S<2>,3|H<1>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C[5])(O[6]C[6]){1|C<3>,1|C<4>,1|P<3>,3|H<1>}	122.2980	0.178	2	122.2980	0.032	2	122.7621	0.428	147	122.8056	0.636	152	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C[6])(O[6]C[6])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|C<3>,1|O<2>,1|S<2>,3|H<1>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C[6])(O[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	122.2520	0.000	1	122.2520	0.000	1	122.7621	0.428	147	122.8056	0.636	152	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6]){1|C<4>,3|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6]){2|C<4>,2|H<1>}	122.0440	1.759	2	122.0440	3.095	2	122.7621	0.428	147	122.8056	0.636	152	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Si)(O[6]C[6])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6]){1|Si<4>,1|C<4>,2|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|C<3>,1|O<2>,1|S<2>,3|H<1>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Si)(O[6]C[6]){1|C<4>,3|H<1>}	123.1080	0.000	1	123.1080	0.000	1	122.7621	0.428	147	122.8056	0.636	152	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]I)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]I)(O[6]C[6]){2|C<4>,2|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|C<3>,1|I<1>,1|O<2>,1|S<2>,2|H<1>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6]){1|C<4>,1|I<1>,2|H<1>}	123.1837	0.576	6	123.1837	0.331	6	122.7621	0.428	147	122.8056	0.636	152	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]I)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]I)(O[6]C[6])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]I)(O[6]C[6]){1|C<4>,1|I<1>,2|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|C<3>,1|I<1>,1|O<2>,1|S<2>,2|H<1>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]I)(O[6]C[6]){1|C<4>,1|I<1>,2|H<1>}	122.6790	0.511	2	122.6790	0.261	2	122.7621	0.428	147	122.8056	0.636	152	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]I)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]P)(O[6]C[6])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]I)(O[6]C[6]){1|C<4>,1|P<3>,2|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|C<3>,1|I<1>,1|O<2>,1|S<2>,2|H<1>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]P)(O[6]C[6]){1|C<4>,1|I<1>,2|H<1>}	123.1095	0.257	2	123.1095	0.066	2	122.7621	0.428	147	122.8056	0.636	152	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]I)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Si)(O[6]C[6])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]I)(O[6]C[6]){1|Si<4>,1|C<4>,2|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|C<3>,1|I<1>,1|O<2>,1|S<2>,2|H<1>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Si)(O[6]C[6]){1|C<4>,1|I<1>,2|H<1>}	123.3023	0.788	4	123.3023	0.621	4	122.7621	0.428	147	122.8056	0.636	152	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]P)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]I)(O[6]C[6])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]P)(O[6]C[6]){1|C<4>,1|I<1>,2|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|C<3>,1|O<2>,1|P<3>,1|S<2>,2|H<1>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]I)(O[6]C[6]){1|C<4>,1|P<3>,2|H<1>}	122.1700	0.549	2	122.1700	0.301	2	122.7621	0.428	147	122.8056	0.636	152	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]S)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[5a]S[5a])(O[6]C[6])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]S)(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|C<3>,1|O<2>,2|H<1>,2|S<2>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[5a]S[5a])(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>,2|S<2>}	123.1680	0.000	1	123.1680	0.000	1	122.7621	0.428	147	122.8056	0.636	152	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Si)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Br)(O[6]C[6])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Si)(O[6]C[6]){1|Br<1>,1|C<4>,2|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|Si<4>,1|C<3>,1|O<2>,1|S<2>,2|H<1>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Br)(O[6]C[6]){1|Si<4>,1|C<4>,2|H<1>}	122.1395	0.040	2	122.1395	0.002	2	122.7621	0.428	147	122.8056	0.636	152	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Si)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Si)(O[6]C[6]){1|C<4>,3|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|Si<4>,1|C<3>,1|O<2>,1|S<2>,2|H<1>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6]){1|Si<4>,1|C<4>,2|H<1>}	122.3380	0.000	1	122.3380	0.000	1	122.7621	0.428	147	122.8056	0.636	152	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Si)(O[6]C[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]I)(O[6]C[6])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Si)(O[6]C[6]){1|C<4>,1|I<1>,2|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|Si<4>,1|C<3>,1|O<2>,1|S<2>,2|H<1>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]I)(O[6]C[6]){1|Si<4>,1|C<4>,2|H<1>}	122.9685	1.190	4	122.9685	1.417	4	122.7621	0.428	147	122.8056	0.636	152	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[6,6a]-3:C[5a,6]-3:N[5a]-2:	C[5a,6](C[5a,6]C[6,6a]N[5a])(N[5a]N[5a]C)(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]HH)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]O[6])(N[5a]N[5a])	C[5a,6](C[5a,6]C[6,6a]N[5a])(N[5a]N[5a]C)(O[6]C[6]){2|C<3>,2|H<1>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]HH){1|C<4>,2|C<3>,2|N<2>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]O[6])(N[5a]N[5a]){1|H<1>,2|C<3>,2|C<4>}	128.5400	0.000	1	128.5400	0.000	1	128.5400	0.000	1	122.8056	0.636	152	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:4:	3:3:3:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:N[6]-3:	C[5a,6](C[5a,6]C[5a]N[6])(N[5a]C[6a]N[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6]N[5a]O[6])(C[5a]N[5a]C)(N[6]C[6]H)	C[5a,6](C[5a,6]C[5a]N[6])(N[5a]C[6a]N[5a])(O[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH){1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[5a,6](C[5a,6]N[5a]O[6])(C[5a]N[5a]C)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<1>}	126.4180	0.000	1	126.4180	0.000	1	126.4180	0.000	1	125.9395	0.458	2	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:4:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(O[6]C[6])	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)	C[5a,6](C[5a,6]C[5a,6a]O[6])(N[5a]C[5a,6a]C)(C[6]C[6]N)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(O[6]C[6]){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH){1|N<3>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]O[6])(N[5a]C[5a,6a]C)(C[6]C[6]N){1|C<4>,2|C<3>,2|H<1>}	125.4610	0.000	1	125.4610	0.000	1	125.4610	0.000	1	125.9395	0.458	2	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:4:	3:3:4:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HO)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6]CH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(O[6]C[6]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HO){1|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6]CH){1|C<4>,3|C<3>,3|H<1>}	128.3510	0.000	1	128.3510	0.000	1	128.3510	0.000	1	128.3510	0.000	1	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:4:	3:4:2:	C[5a,6a]-3:C[5a,6]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(O[6]C[6])	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)	C[5a,6](C[5a,6]C[5a,6a]O[6])(C[6]C[6a]C[6]H)(S[5a]C[5a,6a])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(O[6]C[6]){2|C<4>,3|C<3>,3|H<1>}	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]O[6])(C[6]C[6a]C[6]H)(S[5a]C[5a,6a]){1|C<4>,1|H<1>,5|C<3>}	124.3990	0.000	1	124.3990	0.000	1	124.3990	0.000	1	124.3990	0.000	1	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:4:	3:4:3:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[6,6]-4:C[5a]-3:	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]CC)	C[5a,6](C[5a,6]N[5a]O[6])(C[6,6]C[6,6]2H)(C[5a]N[5a]C)	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6]){1|H<1>,3|C<3>,4|C<4>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]CC){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6]N[5a]O[6])(C[6,6]C[6,6]2H)(C[5a]N[5a]C){1|H<1>,2|C<3>,3|C<4>}	128.6040	0.000	1	128.6040	0.000	1	128.6040	0.000	1	128.6688	0.811	5	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:4:	3:4:3:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]C[5a]C)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(O[6]C[6]){2|C<3>,2|C<4>,3|H<1>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]C[5a]C){2|C<3>,2|H<1>,3|C<4>}	129.9460	0.000	1	129.9460	0.000	1	129.1083	0.545	3	128.6688	0.811	5	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:4:	3:4:3:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6]){2|C<4>,3|C<3>,3|H<1>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	128.5540	0.000	1	128.5540	0.000	1	129.1083	0.545	3	128.6688	0.811	5	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:4:	3:4:3:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]O)(C[5a]N[5a]C)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6]){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,4|C<3>}	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]O)(C[5a]N[5a]C){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	128.8250	0.000	1	128.8250	0.000	1	129.1083	0.545	3	128.6688	0.811	5	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:4:	3:4:3:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5,6]-4:C[5a,6]-3:	C[5a,6](C[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a]C)(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]C[6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5,6]O[5]C)(C[5a,6]N[5a]O[6])	C[5a,6](C[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a]C)(O[6]C[6]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5,6]O[5]C)(C[5a,6]N[5a]O[6]){2|C<4>,2|H<1>,4|C<3>}	127.4150	0.000	1	127.4150	0.000	1	127.4150	0.000	1	128.6688	0.811	5	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:4:	4:3:2:	C[5a,6a]-3:C[5a,6]-3:O[6]-2:	C[5a,6]-3:C[6,6]-4:	C[6,6]-4:C[5a,6]-3:S[5a]-2:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]S[5a])(O[6]C[6,6])	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]O[6]C)	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]C[5a,6a]O[6])(S[5a]C[5a,6a])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]S[5a])(O[6]C[6,6]){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]O[6]C){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]C[5a,6a]O[6])(S[5a]C[5a,6a]){1|C<4>,2|H<1>,4|C<3>}	124.6420	0.000	1	124.6420	0.000	1	124.6420	0.000	1	124.6420	0.000	1	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:4:	4:3:3:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6,6]-4:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6,6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[3x6]C[6]H)	C[5a,6](C[6,6]C[6,6a]C[3x6]C)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6,6]){1|H<1>,3|C<3>,4|C<4>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[3x6]C[6]H){1|N<2>,2|C<3>,3|C<4>,3|H<1>}	C[5a,6](C[6,6]C[6,6a]C[3x6]C)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|H<1>,2|C<4>,3|C<3>}	129.7810	0.000	1	129.7810	0.000	1	128.8060	0.723	3	128.6862	0.818	13	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:4:	4:3:3:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6,6]-4:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6,6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]O[6]C)	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6,6]){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]O[6]C){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|C<4>,1|H<1>,4|C<3>}	128.2170	0.000	1	128.2170	0.000	1	128.8060	0.723	3	128.6862	0.818	13	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:4:	4:3:3:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6,6]-4:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6,6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]O[6]H)	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6,6]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]O[6]H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|C<4>,1|H<1>,4|C<3>}	128.4200	0.000	1	128.4200	0.000	1	128.8060	0.723	3	128.6862	0.818	13	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:4:	4:3:3:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]CC)	C[5a,6](C[6,6]C[6,6a]C[6,6]C)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6]){3|C<3>,5|C<4>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]CC){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5a,6](C[6,6]C[6,6a]C[6,6]C)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|H<1>,2|C<4>,3|C<3>}	129.7280	0.000	1	129.7280	0.000	1	128.6502	0.924	10	128.6862	0.818	13	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:4:	4:3:3:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C[6a]H)	C[5a,6](C[6,6]C[6,6a]C[6,6]C)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6]){1|H<1>,3|C<4>,4|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C[6a]H){1|H<1>,1|N<2>,2|C<4>,4|C<3>}	C[5a,6](C[6,6]C[6,6a]C[6,6]C)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|H<1>,2|C<4>,3|C<3>}	130.8370	0.000	1	130.8370	0.000	1	128.6502	0.924	10	128.6862	0.818	13	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:4:	4:3:3:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C[6a]H)	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]C[6a]N[5a])	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6]){1|C<4>,2|H<1>,5|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C[6a]H){1|C<2>,1|N<2>,2|C<4>,4|C<3>}	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]C[6a]N[5a]){1|C<2>,2|C<4>,5|C<3>}	128.0780	0.000	1	128.4005	0.208	2	128.6502	0.924	10	128.6862	0.818	13	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:4:	4:3:3:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C[6a]H)	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]C[6a]N[5a])	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6]){1|C<4>,2|H<1>,5|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C[6a]H){1|N<2>,2|C<4>,5|C<3>}	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]C[6a]N[5a]){2|C<4>,6|C<3>}	128.7230	0.000	1	128.4005	0.208	2	128.6502	0.924	10	128.6862	0.818	13	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:4:	4:3:3:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C[6a]H)	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6]){2|C<4>,2|H<1>,4|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C[6a]H){1|C<2>,1|C<4>,1|N<2>,5|C<3>}	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|C<2>,1|C<4>,4|C<3>}	127.6160	0.000	1	128.1893	0.154	6	128.6502	0.924	10	128.6862	0.818	13	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:4:	4:3:3:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C[6a]H)	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6]){2|C<4>,2|H<1>,4|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C[6a]H){1|C<2>,1|N<2>,2|C<4>,4|C<3>}	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|C<2>,2|C<4>,3|C<3>}	128.4885	0.275	2	128.1893	0.154	6	128.6502	0.924	10	128.6862	0.818	13	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	3:4:	4:3:3:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C[6a]H)	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6]){2|C<4>,2|H<1>,4|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C[6a]H){1|N<2>,2|C<4>,5|C<3>}	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){2|C<4>,4|C<3>}	128.1810	0.304	3	128.1893	0.154	6	128.6502	0.924	10	128.6862	0.818	13	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	4:3:	3:3:2:	C[5a,6]-3:C[5a]-3:O[6]-2:	B[6,6]-4:C[5a,6]-3:	C[5a,6]-3:C[5a,6]-3:S[5a]-2:	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(O[6]B[6,6])	O[6](B[6,6]N[5a,6,6]N[5a,6]F)(C[5a,6]C[5a,6]C[5a])	C[5a,6](C[5a,6]N[5a,6,6]C[5a])(C[5a,6]C[5a]O[6])(S[5a]C[5a])	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(O[6]B[6,6]){1|C<3>,1|F<1>,1|H<1>,2|N<3>}	O[6](B[6,6]N[5a,6,6]N[5a,6]F)(C[5a,6]C[5a,6]C[5a]){1|H<1>,1|S<2>,5|C<3>}	C[5a,6](C[5a,6]N[5a,6,6]C[5a])(C[5a,6]C[5a]O[6])(S[5a]C[5a]){1|B<4>,2|C<3>,3|H<1>}	123.8930	0.000	1	123.8930	0.000	1	123.8930	0.000	1	125.0737	1.060	3	124.2772	5.657	264	124.2772	5.657	264
727	622	727	6:SP2_SP2_SP2	C[5a,6]	O[6]	C[5a,6]	3:3:2:	4:3:	3:3:2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[4x6]-4:C[5a,6]-3:	C[6,6a]-3:C[5a,6]-3:S[5a]-2:	C[5a,6](C[5a,6]C[6,6a]S[5a])(C[5a]C[5a]H)(O[6]C[4x6])	O[6](C[4x6]C[3x6,6a]C[6,6,6a]2)(C[5a,6]C[5a,6]C[5a])	C[5a,6](C[6,6a]C[3x6,6a]C[6a])(C[5a,6]C[5a]O[6])(S[5a]C[5a])	C[5a,6](C[5a,6]C[6,6a]S[5a])(C[5a]C[5a]H)(O[6]C[4x6]){1|H<1>,4|C<3>}	O[6](C[4x6]C[3x6,6a]C[6,6,6a]2)(C[5a,6]C[5a,6]C[5a]){1|H<1>,1|S<2>,7|C<3>}	C[5a,6](C[6,6a]C[3x6,6a]C[6a])(C[5a,6]C[5a]O[6])(S[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	125.6640	0.170	2	125.6640	0.029	2	125.6640	0.029	2	125.0737	1.060	3	124.2772	5.657	264	124.2772	5.657	264
727	622	813	0:SP2_SP2_SP2	C[5a,6]	O[6]	N[5a]	3:3:2:	3:3:	3:2:1:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:H-1:	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]N[5a]H)(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N)	N[5a](C[5a,6]C[5a,6]O[6])(N[5a]C[5a])(H)	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]N[5a]H)(O[6]C[6]){1|C<4>,1|N<3>,3|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[5a](C[5a,6]C[5a,6]O[6])(N[5a]C[5a])(H){1|C<3>,2|C<4>}	119.1550	3.684	2	119.1550	13.572	2	119.1550	13.572	2	119.1550	13.572	2	121.5155	2.109	56	121.5155	2.109	56
727	622	813	0:SP2_SP2_SP2	C[5a,6]	O[6]	N[5a]	3:3:2:	3:3:	3:2:4:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)	N[5a](C[5a,6]C[5a,6]O[6])(N[5a]C[5a])(CC3)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	N[5a](C[5a,6]C[5a,6]O[6])(N[5a]C[5a])(CC3){1|C<4>,2|C<3>}	122.2670	0.000	1	122.2670	0.000	1	122.2670	0.000	1	122.2670	0.000	1	121.5155	2.109	56	121.5155	2.109	56
727	622	813	0:SP2_SP2_SP2	C[5a,6]	O[6]	N[5a]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6,6]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6,6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6])	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6,6]){2|C<4>,5|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	122.6945	0.028	2	122.6945	0.001	2	122.6945	0.001	2	122.0693	0.366	23	121.5155	2.109	56	121.5155	2.109	56
727	622	813	0:SP2_SP2_SP2	C[5a,6]	O[6]	N[5a]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6,6a]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6,6a])	O[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]N[6a])	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6,6a]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]N[6a]){1|C<4>,1|N<2>,4|C<3>}	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	121.7580	0.371	3	121.7580	0.137	3	121.7580	0.137	3	122.0693	0.366	23	121.5155	2.109	56	121.5155	2.109	56
727	622	813	0:SP2_SP2_SP2	C[5a,6]	O[6]	N[5a]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N)	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6]){1|C<4>,1|N<2>,5|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N){1|C<2>,1|C<4>,1|N<2>,2|C<3>}	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	122.6160	0.826	2	122.4737	0.270	4	122.0517	0.394	18	122.0693	0.366	23	121.5155	2.109	56	121.5155	2.109	56
727	622	813	0:SP2_SP2_SP2	C[5a,6]	O[6]	N[5a]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N)	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6]){1|C<4>,1|N<3>,5|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N){1|C<2>,1|C<4>,1|N<2>,2|C<3>}	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	122.3315	0.216	2	122.4737	0.270	4	122.0517	0.394	18	122.0693	0.366	23	121.5155	2.109	56	121.5155	2.109	56
727	622	813	0:SP2_SP2_SP2	C[5a,6]	O[6]	N[5a]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6]){1|H<1>,2|C<4>,4|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	121.4910	0.000	1	121.8928	0.138	6	122.0517	0.394	18	122.0693	0.366	23	121.5155	2.109	56	121.5155	2.109	56
727	622	813	0:SP2_SP2_SP2	C[5a,6]	O[6]	N[5a]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6]){1|H<1>,2|C<4>,4|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C){1|C<4>,1|N<2>,3|C<3>}	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	121.9732	0.352	5	121.8928	0.138	6	122.0517	0.394	18	122.0693	0.366	23	121.5155	2.109	56	121.5155	2.109	56
727	622	813	0:SP2_SP2_SP2	C[5a,6]	O[6]	N[5a]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6]){2|H<1>,5|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	121.0710	0.000	1	121.0710	0.000	1	122.0517	0.394	18	122.0693	0.366	23	121.5155	2.109	56	121.5155	2.109	56
727	622	813	0:SP2_SP2_SP2	C[5a,6]	O[6]	N[5a]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N)	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N){1|C<2>,1|C<4>,1|N<2>,2|C<3>}	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	122.2680	0.000	1	122.3555	0.015	2	122.0517	0.394	18	122.0693	0.366	23	121.5155	2.109	56	121.5155	2.109	56
727	622	813	0:SP2_SP2_SP2	C[5a,6]	O[6]	N[5a]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N)	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6]){1|N<3>,2|C<4>,4|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N){1|C<2>,1|C<4>,1|N<2>,2|C<3>}	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	122.4430	0.000	1	122.3555	0.015	2	122.0517	0.394	18	122.0693	0.366	23	121.5155	2.109	56	121.5155	2.109	56
727	622	813	0:SP2_SP2_SP2	C[5a,6]	O[6]	N[5a]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6]){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	122.0755	1.411	2	121.9430	1.048	3	122.0517	0.394	18	122.0693	0.366	23	121.5155	2.109	56	121.5155	2.109	56
727	622	813	0:SP2_SP2_SP2	C[5a,6]	O[6]	N[5a]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6]){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	121.6780	0.000	1	121.9430	1.048	3	122.0517	0.394	18	122.0693	0.366	23	121.5155	2.109	56	121.5155	2.109	56
727	622	813	0:SP2_SP2_SP2	C[5a,6]	O[6]	N[5a]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6])	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6]){1|H<1>,2|C<4>,4|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	122.7550	0.000	1	122.7550	0.000	1	122.0517	0.394	18	122.0693	0.366	23	121.5155	2.109	56	121.5155	2.109	56
727	622	813	0:SP2_SP2_SP2	C[5a,6]	O[6]	N[5a]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C)	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6]){1|H<1>,2|C<4>,4|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C){1|C<4>,1|N<2>,3|C<3>}	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	121.3120	0.000	1	121.3120	0.000	1	122.0517	0.394	18	122.0693	0.366	23	121.5155	2.109	56	121.5155	2.109	56
727	622	813	0:SP2_SP2_SP2	C[5a,6]	O[6]	N[5a]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C-3:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(COO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(O[6]C[6]){1|C<4>,1|H<1>,4|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(COO){1|C<4>,1|H<1>,3|C<3>}	119.7753	0.403	3	119.7753	0.162	3	119.7828	0.430	5	119.7828	0.430	5	121.5155	2.109	56	121.5155	2.109	56
727	622	813	0:SP2_SP2_SP2	C[5a,6]	O[6]	N[5a]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C-3:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(CCO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O){1|H<1>,2|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(CCO){1|C<4>,1|H<1>,3|C<3>}	120.6290	0.000	1	120.6290	0.000	1	119.7828	0.430	5	119.7828	0.430	5	121.5155	2.109	56	121.5155	2.109	56
727	622	813	0:SP2_SP2_SP2	C[5a,6]	O[6]	N[5a]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C-3:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(CC[6a]O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O){2|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(CC[6a]O){1|C<4>,1|H<1>,3|C<3>}	118.9590	0.000	1	118.9590	0.000	1	119.7828	0.430	5	119.7828	0.430	5	121.5155	2.109	56	121.5155	2.109	56
727	622	813	0:SP2_SP2_SP2	C[5a,6]	O[6]	N[5a]	3:3:2:	3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(CC[6a]HH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(O[6]C[6]){1|C<4>,5|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C){1|H<1>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	119.2860	0.000	1	119.2860	0.000	1	119.7955	0.519	2	119.8218	0.174	4	121.5155	2.109	56	121.5155	2.109	56
727	622	813	0:SP2_SP2_SP2	C[5a,6]	O[6]	N[5a]	3:3:2:	3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(O[6]C[6]){1|N<2>,4|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N){1|C<4>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(CH3){1|H<1>,4|C<3>}	120.3050	0.000	1	120.3050	0.000	1	119.7955	0.519	2	119.8218	0.174	4	121.5155	2.109	56	121.5155	2.109	56
727	622	813	0:SP2_SP2_SP2	C[5a,6]	O[6]	N[5a]	3:3:2:	3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(SC[6a]OO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O){1|S<4>,2|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	119.8480	0.001	2	119.8480	0.000	2	119.8480	0.000	2	119.8218	0.174	4	121.5155	2.109	56	121.5155	2.109	56
727	622	813	0:SP2_SP2_SP2	C[5a,6]	O[6]	N[5a]	3:3:2:	3:4:	3:2:4:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:N[5a]-2:C-4:	C[5a,6](C[5a,6]C[6,6a]N[5a])(N[5a]N[5a]C)(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]HH)	N[5a](C[5a,6]C[5a,6]O[6])(N[5a]N[5a])(CC[6a]HH)	C[5a,6](C[5a,6]C[6,6a]N[5a])(N[5a]N[5a]C)(O[6]C[6]){2|C<3>,2|H<1>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]HH){1|C<4>,2|C<3>,2|N<2>}	N[5a](C[5a,6]C[5a,6]O[6])(N[5a]N[5a])(CC[6a]HH){1|C<3>,1|C<4>}	124.9880	0.000	1	124.9880	0.000	1	124.9880	0.000	1	124.9880	0.000	1	121.5155	2.109	56	121.5155	2.109	56
727	622	813	0:SP2_SP2_SP2	C[5a,6]	O[6]	N[5a]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6,6]-4:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6,6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[3x6]C[6]H)	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6,6]){1|H<1>,3|C<3>,4|C<4>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[3x6]C[6]H){1|N<2>,2|C<3>,3|C<4>,3|H<1>}	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>,3|C<4>}	120.4520	0.000	1	120.4520	0.000	1	121.4643	0.829	3	121.9864	1.367	17	121.5155	2.109	56	121.5155	2.109	56
727	622	813	0:SP2_SP2_SP2	C[5a,6]	O[6]	N[5a]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6,6]-4:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6,6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]O[6]C)	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6,6]){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]O[6]C){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	122.2160	0.000	1	122.2160	0.000	1	121.4643	0.829	3	121.9864	1.367	17	121.5155	2.109	56	121.5155	2.109	56
727	622	813	0:SP2_SP2_SP2	C[5a,6]	O[6]	N[5a]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6,6]-4:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6,6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]O[6]H)	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6,6]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]O[6]H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	121.7250	0.000	1	121.7250	0.000	1	121.4643	0.829	3	121.9864	1.367	17	121.5155	2.109	56	121.5155	2.109	56
727	622	813	0:SP2_SP2_SP2	C[5a,6]	O[6]	N[5a]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6]){2|C<4>,3|C<3>,3|H<1>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>,3|C<4>}	122.0270	0.000	1	122.0270	0.000	1	122.0982	1.479	14	121.9864	1.367	17	121.5155	2.109	56	121.5155	2.109	56
727	622	813	0:SP2_SP2_SP2	C[5a,6]	O[6]	N[5a]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6]){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,4|C<3>}	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>,3|C<4>}	121.6090	0.000	1	121.6090	0.000	1	122.0982	1.479	14	121.9864	1.367	17	121.5155	2.109	56	121.5155	2.109	56
727	622	813	0:SP2_SP2_SP2	C[5a,6]	O[6]	N[5a]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]C[5a]N[6])(N[5a]C[6a]N[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[5a]N[6])(N[5a]C[6a]N[5a])(O[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH){1|N<2>,1|N<3>,1|O<1>,2|C<3>}	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	125.4460	0.000	1	125.4460	0.000	1	122.0982	1.479	14	121.9864	1.367	17	121.5155	2.109	56	121.5155	2.109	56
727	622	813	0:SP2_SP2_SP2	C[5a,6]	O[6]	N[5a]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]CC)	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6]){1|H<1>,3|C<3>,4|C<4>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]CC){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>,3|C<4>}	122.5550	0.000	1	121.7465	1.307	2	122.0982	1.479	14	121.9864	1.367	17	121.5155	2.109	56	121.5155	2.109	56
727	622	813	0:SP2_SP2_SP2	C[5a,6]	O[6]	N[5a]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]CC)	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6]){3|C<3>,5|C<4>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]CC){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>,3|C<4>}	120.9380	0.000	1	121.7465	1.307	2	122.0982	1.479	14	121.9864	1.367	17	121.5155	2.109	56	121.5155	2.109	56
727	622	813	0:SP2_SP2_SP2	C[5a,6]	O[6]	N[5a]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C[6a]H)	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6]){1|C<4>,2|H<1>,5|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C[6a]H){1|C<2>,1|N<2>,2|C<4>,4|C<3>}	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	122.3100	0.000	1	121.8667	0.717	9	122.0982	1.479	14	121.9864	1.367	17	121.5155	2.109	56	121.5155	2.109	56
727	622	813	0:SP2_SP2_SP2	C[5a,6]	O[6]	N[5a]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C[6a]H)	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6]){1|C<4>,2|H<1>,5|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C[6a]H){1|N<2>,2|C<4>,5|C<3>}	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	120.9420	0.000	1	121.8667	0.717	9	122.0982	1.479	14	121.9864	1.367	17	121.5155	2.109	56	121.5155	2.109	56
727	622	813	0:SP2_SP2_SP2	C[5a,6]	O[6]	N[5a]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C[6a]H)	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6]){1|H<1>,3|C<4>,4|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C[6a]H){1|H<1>,1|N<2>,2|C<4>,4|C<3>}	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|H<1>,2|C<3>,3|C<4>}	120.1150	0.000	1	121.8667	0.717	9	122.0982	1.479	14	121.9864	1.367	17	121.5155	2.109	56	121.5155	2.109	56
727	622	813	0:SP2_SP2_SP2	C[5a,6]	O[6]	N[5a]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C[6a]H)	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6]){2|C<4>,2|H<1>,4|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C[6a]H){1|C<2>,1|C<4>,1|N<2>,5|C<3>}	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>,3|C<4>}	122.8550	0.000	1	121.8667	0.717	9	122.0982	1.479	14	121.9864	1.367	17	121.5155	2.109	56	121.5155	2.109	56
727	622	813	0:SP2_SP2_SP2	C[5a,6]	O[6]	N[5a]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C[6a]H)	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6]){2|C<4>,2|H<1>,4|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C[6a]H){1|C<2>,1|N<2>,2|C<4>,4|C<3>}	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>,3|C<4>}	122.2290	0.119	2	121.8667	0.717	9	122.0982	1.479	14	121.9864	1.367	17	121.5155	2.109	56	121.5155	2.109	56
727	622	813	0:SP2_SP2_SP2	C[5a,6]	O[6]	N[5a]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C[6a]H)	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6]){2|C<4>,2|H<1>,4|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C[6a]H){1|N<2>,2|C<4>,5|C<3>}	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>,3|C<4>}	122.0400	0.368	3	121.8667	0.717	9	122.0982	1.479	14	121.9864	1.367	17	121.5155	2.109	56	121.5155	2.109	56
727	622	813	0:SP2_SP2_SP2	C[5a,6]	O[6]	N[5a]	3:3:2:	3:4:	3:3:3:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C-3:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(COO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(O[6]C[6]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HO){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(COO){1|H<1>,2|C<3>,2|C<4>}	120.0740	0.000	1	120.0740	0.000	1	120.0740	0.000	1	120.0740	0.000	1	121.5155	2.109	56	121.5155	2.109	56
727	622	813	0:SP2_SP2_SP2	C[5a,6]	O[6]	N[5a]	3:3:2:	3:4:	3:3:4:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[5a]C)(CC[6a]HH)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(O[6]C[6]){2|C<3>,2|C<4>,3|H<1>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[5a]C)(CC[6a]HH){1|C<3>,2|C<4>}	118.9780	0.000	1	118.9780	0.000	1	118.9780	0.000	1	119.8345	1.467	2	121.5155	2.109	56	121.5155	2.109	56
727	622	813	0:SP2_SP2_SP2	C[5a,6]	O[6]	N[5a]	3:3:2:	3:4:	3:3:4:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a]C)(O[6]C[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a]C)(O[6]C[6]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(CH3){1|H<1>,2|C<3>,2|C<4>}	120.6910	0.000	1	120.6910	0.000	1	120.6910	0.000	1	119.8345	1.467	2	121.5155	2.109	56	121.5155	2.109	56
727	622	813	6:SP2_SP2_SP2	C[5a,6]	O[6]	N[5a,6]	3:3:2:	3:3:	3:2:3:	C[5,5a]-3:N[5a,6]-3:O[6]-2:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6](C[5,5a]C[5,5a]C[5])(N[5a,6]N[5a]C[6])(O[6]C[6])	O[6](C[5a,6]C[5,5a]N[5a,6])(C[6]C[6a]C[6])	N[5a,6](C[5a,6]C[5,5a]O[6])(N[5a]C[5,5a])(C[6]C[6]W)	C[5a,6](C[5,5a]C[5,5a]C[5])(N[5a,6]N[5a]C[6])(O[6]C[6]){1|W<6>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[5a,6]C[5,5a]N[5a,6])(C[6]C[6a]C[6]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	N[5a,6](C[5a,6]C[5,5a]O[6])(N[5a]C[5,5a])(C[6]C[6]W){1|C<3>,1|H<1>,2|C<4>}	120.2640	0.000	1	120.2640	0.000	1	120.2640	0.000	1	120.2640	0.000	1	120.8697	1.456	9	120.8697	1.456	9
727	622	813	6:SP2_SP2_SP2	C[5a,6]	O[6]	N[5a,6]	3:3:2:	3:3:	3:3:4:	N[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6,6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(O[6]C[6,6a])	O[6](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]O[6])(C[6]C[6,6a]HH)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(O[6]C[6,6a]){2|H<1>,4|C<3>}	O[6](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]O[6])(C[6]C[6,6a]HH){2|H<1>,4|C<3>}	121.8610	0.000	1	121.8610	0.000	1	121.8610	0.000	1	121.8610	0.000	1	120.8697	1.456	9	120.8697	1.456	9
727	622	813	6:SP2_SP2_SP2	C[5a,6]	O[6]	N[5a,6]	3:3:2:	3:3:	3:4:2:	N[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:S[6]-4:N[5a]-2:	C[5a,6](N[5a,6]N[5a]S[6])(C[5a]C[5a]C)(O[6]C[6])	O[6](C[5a,6]N[5a,6]C[5a])(C[6]N[6]N)	N[5a,6](C[5a,6]C[5a]O[6])(S[6]N[6]OO)(N[5a]C[5a])	C[5a,6](N[5a,6]N[5a]S[6])(C[5a]C[5a]C)(O[6]C[6]){1|C<4>,1|N<2>,1|N<3>,2|O<1>}	O[6](C[5a,6]N[5a,6]C[5a])(C[6]N[6]N){1|C<3>,1|C<4>,1|N<2>,1|S<4>}	N[5a,6](C[5a,6]C[5a]O[6])(S[6]N[6]OO)(N[5a]C[5a]){1|C<3>,2|C<4>}	121.6490	0.000	1	121.6490	0.000	1	121.6490	0.000	1	121.6490	0.000	1	120.8697	1.456	9	120.8697	1.456	9
727	622	813	6:SP2_SP2_SP2	C[5a,6]	O[6]	N[5a,6]	3:3:2:	3:4:	3:2:3:	N[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:S[6]-4:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]H)(O[6]S[6])	O[6](C[5a,6]N[5a,6]C[5a])(S[6]N[6]OO)	N[5a,6](C[5a,6]C[5a]O[6])(N[5a]C[5a])(C[6]N[6]2)	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]H)(O[6]S[6]){1|C<4>,1|N<2>,1|N<3>,2|O<1>}	O[6](C[5a,6]N[5a,6]C[5a])(S[6]N[6]OO){1|H<1>,1|N<2>,2|C<3>}	N[5a,6](C[5a,6]C[5a]O[6])(N[5a]C[5a])(C[6]N[6]2){1|H<1>,1|S<4>,3|C<4>}	119.7335	0.250	2	119.7335	0.062	2	119.7335	0.062	2	119.7335	0.062	2	120.8697	1.456	9	120.8697	1.456	9
727	622	813	6:SP2_SP2_SP2	C[5a,6]	O[6]	N[5a,6]	3:3:2:	3:4:	3:3:2:	N[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:B[6]-4:	C[5a,6]-3:C[6,6]-3:N[5a]-2:	C[5a,6](N[5a,6]C[6,6]N[5a])(C[5a]C[5a]H)(O[6]B[6])	O[6](C[5a,6]N[5a,6]C[5a])(B[6]N[6,6]C[6a]2)	N[5a,6](C[5a,6]C[5a]O[6])(C[6,6]N[6,6]C[6])(N[5a]C[5a])	C[5a,6](N[5a,6]C[6,6]N[5a])(C[5a]C[5a]H)(O[6]B[6]){1|N<3>,4|C<3>}	O[6](C[5a,6]N[5a,6]C[5a])(B[6]N[6,6]C[6a]2){1|H<1>,1|N<2>,7|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>}	118.9590	0.000	1	118.9590	0.000	1	118.9590	0.000	1	118.9590	0.000	1	120.8697	1.456	9	120.8697	1.456	9
727	622	813	6:SP2_SP2_SP2	C[5a,6]	O[6]	N[5a,6]	3:3:2:	3:4:	3:4:2:	N[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[3x6]-4:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]C)(O[6]C[3x6])	O[6](C[5a,6]N[5a,6]C[5a])(C[3x6]C[3x6]2O[6])	N[5a,6](C[5a,6]C[5a]O[6])(C[6]C[6a]2O[6])(N[5a]C[5a])	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]C)(O[6]C[3x6]){1|O<2>,2|C<4>,3|C<3>}	O[6](C[5a,6]N[5a,6]C[5a])(C[3x6]C[3x6]2O[6]){1|N<2>,2|C<3>,2|H<1>,5|C<4>}	N[5a,6](C[5a,6]C[5a]O[6])(C[6]C[6a]2O[6])(N[5a]C[5a]){1|C<4>,6|C<3>}	121.5570	0.000	1	121.5570	0.000	1	121.5570	0.000	1	121.8757	0.180	3	120.8697	1.456	9	120.8697	1.456	9
727	622	813	6:SP2_SP2_SP2	C[5a,6]	O[6]	N[5a,6]	3:3:2:	3:4:	3:4:2:	N[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]C)(O[6]C[6])	O[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HO)	N[5a,6](C[5a,6]C[5a]O[6])(C[6]C[6a]2C[6])(N[5a]C[5a])	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]C)(O[6]C[6]){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HO){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6]C[5a]O[6])(C[6]C[6a]2C[6])(N[5a]C[5a]){1|C<4>,2|H<1>,6|C<3>}	122.3580	0.000	1	122.3580	0.000	1	122.0350	0.209	2	121.8757	0.180	3	120.8697	1.456	9	120.8697	1.456	9
727	622	813	6:SP2_SP2_SP2	C[5a,6]	O[6]	N[5a,6]	3:3:2:	3:4:	3:4:2:	N[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]C)(O[6]C[6])	O[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6a]O[6]H)	N[5a,6](C[5a,6]C[5a]O[6])(C[6]C[6a]2O[6])(N[5a]C[5a])	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]C)(O[6]C[6]){1|H<1>,1|O<2>,4|C<3>}	O[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6a]O[6]H){1|C<4>,1|N<2>,4|C<3>}	N[5a,6](C[5a,6]C[5a]O[6])(C[6]C[6a]2O[6])(N[5a]C[5a]){1|C<4>,6|C<3>}	121.7120	0.000	1	121.7120	0.000	1	122.0350	0.209	2	121.8757	0.180	3	120.8697	1.456	9	120.8697	1.456	9
727	638	643	0:SP2_SP-NON_SP2	C[5,6a]	I[5]	C[6a]	3:3:3:	3:2:1:	3:3:1:	C[5,6a]-3:C[6a]-3:I[5]-3:	C[5,6a]-3:O[5]-2:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(I[5]O[5]Cl)	I[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(Cl)	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(I[5]O[5]Cl){1|C<3>,1|F<1>,1|H<1>,1|O<2>}	I[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(Cl){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|B<3>,1|C<3>,1|H<1>,1|O<2>}	123.0635	0.457	2	123.0635	0.209	2	123.0635	0.209	2	124.2820	0.991	6	122.7567	5.893	19	122.7567	5.893	19
727	638	643	0:SP2_SP-NON_SP2	C[5,6a]	I[5]	C[6a]	3:3:3:	3:2:1:	3:3:1:	C[5,6a]-3:C[6a]-3:I[5]-3:	C[5,6a]-3:O[5]-2:F-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]F)	I[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(F)	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]F){1|C<3>,2|C<4>,2|H<1>}	I[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(F){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<2>}	124.8912	0.313	4	124.8912	0.098	4	124.8912	0.098	4	124.2820	0.991	6	122.7567	5.893	19	122.7567	5.893	19
727	638	643	0:SP2_SP-NON_SP2	C[5,6a]	I[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[5,6a]-3:C[6a]-3:I[5]-3:	C[5,6a]-3:O[5]-2:C-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]C)	I[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC)	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]C){1|C<3>,1|O<1>,2|H<1>}	I[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC){1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	122.7450	0.000	1	122.7450	0.000	1	122.7450	0.000	1	124.0472	0.836	6	122.7567	5.893	19	122.7567	5.893	19
727	638	643	0:SP2_SP-NON_SP2	C[5,6a]	I[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[5,6a]-3:C[6a]-3:I[5]-3:	C[5,6a]-3:O[5]-2:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(I[5]O[5]O)	I[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(OC)	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(I[5]O[5]O){1|C<3>,1|F<1>,1|H<1>,1|O<2>}	I[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(OC){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,2|O<2>}	123.7555	0.415	2	124.0700	0.383	3	124.3076	0.536	5	124.0472	0.836	6	122.7567	5.893	19	122.7567	5.893	19
727	638	643	0:SP2_SP-NON_SP2	C[5,6a]	I[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[5,6a]-3:C[6a]-3:I[5]-3:	C[5,6a]-3:O[5]-2:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(I[5]O[5]O)	I[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(OC)	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(I[5]O[5]O){1|C<3>,1|O<2>,2|H<1>}	I[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(OC){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,2|O<2>}	124.6990	0.000	1	124.0700	0.383	3	124.3076	0.536	5	124.0472	0.836	6	122.7567	5.893	19	122.7567	5.893	19
727	638	643	0:SP2_SP-NON_SP2	C[5,6a]	I[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[5,6a]-3:C[6a]-3:I[5]-3:	C[5,6a]-3:O[5]-2:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]O)	I[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OC)	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]O){1|C<3>,2|C<4>,2|H<1>}	I[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OC){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	125.3550	0.000	1	125.3550	0.000	1	124.3076	0.536	5	124.0472	0.836	6	122.7567	5.893	19	122.7567	5.893	19
727	638	643	0:SP2_SP-NON_SP2	C[5,6a]	I[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[5,6a]-3:C[6a]-3:I[5]-3:	C[5,6a]-3:O[5]-2:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]O)	I[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OC[4])	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]O){1|C<3>,1|O<1>,2|H<1>}	I[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OC[4]){1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	123.9730	0.000	1	123.9730	0.000	1	124.3076	0.536	5	124.0472	0.836	6	122.7567	5.893	19	122.7567	5.893	19
727	638	643	0:SP2_SP-NON_SP2	C[5,6a]	I[5]	C[6a]	3:3:3:	3:2:2:	3:3:4:	C[5,6a]-3:C[6a]-3:I[5]-3:	C[5,6a]-3:O[5]-2:O-2:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(I[5]O[5]O)	I[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH)	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(I[5]O[5]O){1|C<3>,1|N<3>,2|H<1>}	I[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH){1|C<4>,1|N<3>,2|C<3>}	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>,2|O<2>}	121.5900	0.000	1	121.5900	0.000	1	121.5900	0.000	1	121.5900	0.000	1	122.7567	5.893	19	122.7567	5.893	19
727	638	643	0:SP2_SP-NON_SP2	C[5,6a]	I[5]	C[6a]	3:3:3:	3:2:4:	3:3:1:	C[5,6a]-3:C[6a]-3:I[5]-3:	C[5,6a]-3:O[5]-2:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]C)	I[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CF3)	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]C){1|C<3>,2|C<4>,2|H<1>}	I[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CF3){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	125.0370	0.000	1	125.0370	0.000	1	125.0370	0.000	1	125.0370	0.000	1	122.7567	5.893	19	122.7567	5.893	19
727	638	643	0:SP2_SP-NON_SP2	C[5,6a]	I[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[5,6a]-3:C[6a]-3:I[5]-3:	C[5,6a]-3:O[5]-3:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(I[5]O[5]O)	I[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5]2)(OC)	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(I[5]O[5]O){1|B<4>,1|C<3>,1|F<1>,1|H<1>,1|O<2>,1|O<3>}	I[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5]2)(OC){1|H<1>,2|O<2>,2|O<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|O<2>,1|O<3>}	118.9133	0.363	4	118.9133	0.132	4	118.9133	0.132	4	119.1552	0.392	5	122.7567	5.893	19	122.7567	5.893	19
727	638	643	0:SP2_SP-NON_SP2	C[5,6a]	I[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[5,6a]-3:I[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(I[5]C[6a]O[5])(C[6a]C[6a]H)	I[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(I[5]C[6a]O[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	I[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5]){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.1230	0.000	1	120.1230	0.000	1	120.1230	0.000	1	119.1552	0.392	5	122.7567	5.893	19	122.7567	5.893	19
727	638	727	5:SP2_SP-NON_SP2	C[5,5,6a]	I[5,5]	C[5,6a]	3:3:3:	3:2:2:	3:3:3:	C[5,6a]-3:C[5,6a]-3:I[5,5]-3:	C[5,5,6a]-3:O[5]-2:O[5]-2:	C[5,5,6a]-3:C[6a]-3:C[5]-3:	C[5,5,6a](C[5,6a]C[6a]C[5])2(I[5,5]O[5]2)	I[5,5](C[5,5,6a]C[5,6a]2)(O[5]C[5])2	C[5,6a](C[5,5,6a]C[5,6a]I[5,5])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,5,6a](C[5,6a]C[6a]C[5])2(I[5,5]O[5]2){1|C<3>,2|H<1>,2|O<1>}	I[5,5](C[5,5,6a]C[5,6a]2)(O[5]C[5])2{2|C<3>,2|O<1>}	C[5,6a](C[5,5,6a]C[5,6a]I[5,5])(C[6a]C[6a]H)(C[5]O[5]O){1|H<1>,1|O<2>,2|C<3>}	117.1710	0.321	2	117.1710	0.103	2	117.1710	0.103	2	117.1710	0.103	2	116.8837	0.199	4	113.2826	6.359	22
727	638	727	5:SP2_SP-NON_SP2	C[5,5,6a]	I[5,5]	C[5,6a]	3:3:3:	3:2:2:	3:3:4:	C[5,6a]-3:C[5,6a]-3:I[5,5]-3:	C[5,5,6a]-3:O[5]-2:O[5]-2:	C[5,5,6a]-3:C[6a]-3:C[5]-4:	C[5,5,6a](C[5,6a]C[6a]C[5])2(I[5,5]O[5]2)	I[5,5](C[5,5,6a]C[5,6a]2)(O[5]C[5])2	C[5,6a](C[5,5,6a]C[5,6a]I[5,5])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5,5,6a](C[5,6a]C[6a]C[5])2(I[5,5]O[5]2){1|C<3>,2|H<1>,4|C<4>}	I[5,5](C[5,5,6a]C[5,6a]2)(O[5]C[5])2{2|C<3>,4|C<4>}	C[5,6a](C[5,5,6a]C[5,6a]I[5,5])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	116.5965	0.407	2	116.5965	0.165	2	116.5965	0.165	2	116.5965	0.165	2	116.8837	0.199	4	113.2826	6.359	22
727	638	727	5:SP2_SP-NON_SP2	C[5,6a]	I[5]	C[5,6a]	3:3:3:	3:2:1:	3:3:3:	C[5,6a]-3:C[6a]-3:I[5]-3:	C[5,6a]-3:O[5]-2:Cl-1:	C[5,6a]-3:C[6a]-3:B[5]-3:	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(I[5]O[5]Cl)	I[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(Cl)	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]F)(B[5]O[5]O)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(I[5]O[5]Cl){1|C<3>,1|F<1>,1|H<1>,1|O<2>}	I[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(Cl){1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]F)(B[5]O[5]O){1|Cl<1>,1|C<3>,2|H<1>}	110.6175	0.774	2	110.6175	0.600	2	110.6175	0.600	2	110.6175	0.600	2	112.4823	4.091	18	113.2826	6.359	22
727	638	727	5:SP2_SP-NON_SP2	C[5,6a]	I[5]	C[5,6a]	3:3:3:	3:2:1:	3:3:4:	C[5,6a]-3:C[6a]-3:I[5]-3:	C[5,6a]-3:O[5]-2:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]F)	I[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(F)	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]F){1|C<3>,2|C<4>,2|H<1>}	I[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(F){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,1|F<1>,2|H<1>}	111.4485	0.364	4	111.4485	0.133	4	111.4485	0.133	4	111.4485	0.133	4	112.4823	4.091	18	113.2826	6.359	22
727	638	727	5:SP2_SP-NON_SP2	C[5,6a]	I[5]	C[5,6a]	3:3:3:	3:2:2:	3:3:3:	C[5,6a]-3:C[6a]-3:I[5]-3:	C[5,6a]-3:O[5]-2:C-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]C)	I[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC)	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]C){1|C<3>,1|O<1>,2|H<1>}	I[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<2>,1|C<3>,2|H<1>}	114.0890	0.000	1	114.0890	0.000	1	114.0890	0.000	1	112.1730	2.954	6	112.4823	4.091	18	113.2826	6.359	22
727	638	727	5:SP2_SP-NON_SP2	C[5,6a]	I[5]	C[5,6a]	3:3:3:	3:2:2:	3:3:3:	C[5,6a]-3:C[6a]-3:I[5]-3:	C[5,6a]-3:O[5]-2:O-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(I[5]O[5]O)	I[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH)	C[5,6a](C[5,6a]C[6a]I[5])(C[5]N[5]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(I[5]O[5]O){1|C<3>,1|N<3>,2|H<1>}	I[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH){1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]I[5])(C[5]N[5]O[5])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	113.8910	0.000	1	113.8910	0.000	1	113.8910	0.000	1	112.1730	2.954	6	112.4823	4.091	18	113.2826	6.359	22
727	638	727	5:SP2_SP-NON_SP2	C[5,6a]	I[5]	C[5,6a]	3:3:3:	3:2:2:	3:3:3:	C[5,6a]-3:C[6a]-3:I[5]-3:	C[5,6a]-3:O[5]-2:O-2:	C[5,6a]-3:C[6a]-3:B[5]-3:	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(I[5]O[5]O)	I[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(OC)	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]F)(B[5]O[5]O)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(I[5]O[5]O){1|C<3>,1|F<1>,1|H<1>,1|O<2>}	I[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(OC){1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]F)(B[5]O[5]O){1|C<3>,1|O<2>,2|H<1>}	110.5500	0.120	2	110.5500	0.014	2	110.6327	0.028	3	112.1730	2.954	6	112.4823	4.091	18	113.2826	6.359	22
727	638	727	5:SP2_SP-NON_SP2	C[5,6a]	I[5]	C[5,6a]	3:3:3:	3:2:2:	3:3:3:	C[5,6a]-3:C[6a]-3:I[5]-3:	C[5,6a]-3:O[5]-2:O-2:	C[5,6a]-3:C[6a]-3:B[5]-3:	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(I[5]O[5]O)	I[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(OC)	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(B[5]O[5]O)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(I[5]O[5]O){1|C<3>,1|O<2>,2|H<1>}	I[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(OC){1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(B[5]O[5]O){1|C<3>,1|O<2>,2|H<1>}	110.7980	0.000	1	110.7980	0.000	1	110.6327	0.028	3	112.1730	2.954	6	112.4823	4.091	18	113.2826	6.359	22
727	638	727	5:SP2_SP-NON_SP2	C[5,6a]	I[5]	C[5,6a]	3:3:3:	3:2:2:	3:3:3:	C[5,6a]-3:C[6a]-3:I[5]-3:	C[5,6a]-3:O[5]-2:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]O)	I[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OC[4])	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]O){1|C<3>,1|O<1>,2|H<1>}	I[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OC[4]){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|O<2>,2|H<1>}	113.1600	0.000	1	113.1600	0.000	1	113.1600	0.000	1	112.1730	2.954	6	112.4823	4.091	18	113.2826	6.359	22
727	638	727	5:SP2_SP-NON_SP2	C[5,6a]	I[5]	C[5,6a]	3:3:3:	3:2:2:	3:3:4:	C[5,6a]-3:C[6a]-3:I[5]-3:	C[5,6a]-3:O[5]-2:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]O)	I[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OC)	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]O){1|C<3>,2|C<4>,2|H<1>}	I[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OC){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,1|O<2>,2|H<1>}	110.7400	0.000	1	110.7400	0.000	1	110.7400	0.000	1	110.7400	0.000	1	112.4823	4.091	18	113.2826	6.359	22
727	638	727	5:SP2_SP-NON_SP2	C[5,6a]	I[5]	C[5,6a]	3:3:3:	3:2:4:	3:3:4:	C[5,6a]-3:C[6a]-3:I[5]-3:	C[5,6a]-3:O[5]-2:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]C)	I[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CF3)	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]C){1|C<3>,2|C<4>,2|H<1>}	I[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CF3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,1|C<4>,2|H<1>}	111.7320	0.000	1	111.7320	0.000	1	111.7320	0.000	1	111.7320	0.000	1	112.4823	4.091	18	113.2826	6.359	22
727	638	727	5:SP2_SP-NON_SP2	C[5,6a]	I[5]	C[5,6a]	3:3:3:	3:3:2:	3:3:4:	C[5,6a]-3:C[6a]-3:I[5]-3:	C[5,6a]-3:O[5]-3:O-2:	C[5,6a]-3:C[6a]-3:B[5]-4:	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(I[5]O[5]O)	I[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5]2)(OC)	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]F)(B[5]O[5]2O)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(I[5]O[5]O){1|B<4>,1|C<3>,1|F<1>,1|H<1>,1|O<2>,1|O<3>}	I[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5]2)(OC){1|H<1>,2|O<2>,2|O<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]F)(B[5]O[5]2O){1|C<3>,1|I<3>,1|O<2>,2|B<4>,2|H<1>}	115.2560	0.265	3	115.2560	0.070	3	115.2560	0.070	3	115.5358	0.360	4	112.4823	4.091	18	113.2826	6.359	22
727	638	727	5:SP2_SP-NON_SP2	C[5,6a]	I[5]	C[5,6a]	3:3:3:	3:3:2:	3:3:4:	C[5,6a]-3:I[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(I[5]C[6a]O[5])(C[6a]C[6a]H)	I[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(I[5]C[6a]O[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	I[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5]){2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]CC){2|C<3>,2|H<1>}	116.3750	0.000	1	116.3750	0.000	1	116.3750	0.000	1	115.5358	0.360	4	112.4823	4.091	18	113.2826	6.359	22
727	643	678	0:SP2_SP-NON_SP2	C[5,6a]	C[6a]	Br[5]	3:2:3:	3:3:1:	3:3:	C[5,6a]-3:Br[5]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Br[5]C[5,6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Br[5])(C[6a]C[6a]H)(H)	Br[5](C[5,6a]C[5,6a]C[6a])2	C[5,6a](C[5,6a]C[5,6a]C[6a])(Br[5]C[5,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]Br[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	Br[5](C[5,6a]C[5,6a]C[6a])2{2|H<1>,4|C<3>}	123.3820	0.034	2	123.3820	0.001	2	123.3820	0.001	2	123.3820	0.001	2	123.3820	0.001	2	123.3820	0.001	2
727	643	679	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5,5a]	4:3:3:	3:3:1:	3:3:2:2:	B[5,5a]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:O[5a]-2:O[5a]-2:	C[5,6a](B[5,5a]O[5a]2N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]B[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	B[5,5a](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(O[5a]C[5a,6a])2	C[5,6a](B[5,5a]O[5a]2N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5,6a]B[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|O<2>}	B[5,5a](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(O[5a]C[5a,6a])2{1|H<1>,6|C<3>}	133.5000	0.280	2	133.5000	0.078	2	133.5000	0.078	2	132.8263	1.401	3	131.9562	1.124	11	131.9525	1.859	26
727	643	679	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5,5a]	4:3:3:	3:3:1:	3:3:2:2:	B[5,5a]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5a,6]-3:C[5,6a]-3:O[5a]-2:O[5]-2:	C[5,6a](B[5,5a]N[5a,6]O[5a]O[5])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[6a](C[5,6a]B[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	B[5,5a](N[5a,6]C[5a,6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(O[5a]C[5a,6a])(O[5]B[5])	C[5,6a](B[5,5a]N[5a,6]O[5a]O[5])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]B[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,1|N<3>,2|O<2>}	B[5,5a](N[5a,6]C[5a,6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(O[5a]C[5a,6a])(O[5]B[5]){1|O<2>,2|H<1>,5|C<3>}	131.4790	0.000	1	131.4790	0.000	1	131.4790	0.000	1	132.8263	1.401	3	131.9562	1.124	11	131.9525	1.859	26
727	643	679	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5,5a]	4:3:3:	3:3:1:	3:3:3:2:	B[5,5a]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:F-1:	N[5a,6]-3:C[5,6a]-3:C[5,6a]-3:O[5a]-2:	C[5,6a](B[5,5a]C[5,6a]N[5a,6]O[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]F)	C[6a](C[5,6a]B[5,5a]C[5,6a])(C[6a]C[6a]F)(F)	B[5,5a](N[5a,6]C[5a,6,6a]C[6])(C[5,6a]C[5,6a]C[6a])2(O[5a]C[5a,6a])	C[5,6a](B[5,5a]C[5,6a]N[5a,6]O[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]F){2|F<1>,6|C<3>}	C[6a](C[5,6a]B[5,5a]C[5,6a])(C[6a]C[6a]F)(F){1|F<1>,1|N<3>,1|O<2>,3|C<3>}	B[5,5a](N[5a,6]C[5a,6,6a]C[6])(C[5,6a]C[5,6a]C[6a])2(O[5a]C[5a,6a]){1|H<1>,2|F<1>,7|C<3>}	130.5020	0.412	2	130.5020	0.169	2	130.5020	0.169	2	131.7297	0.996	6	131.9562	1.124	11	131.9525	1.859	26
727	643	679	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5,5a]	4:3:3:	3:3:1:	3:3:3:2:	B[5,5a]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5a,6]-3:C[5,6a]-3:C[5,6a]-3:O[5a]-2:	C[5,6a](B[5,5a]C[5,6a]N[5a,6]O[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]B[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	B[5,5a](N[5a,6]C[5a,6,6a]C[6])(C[5,6a]C[5,6a]C[6a])2(O[5a]C[5a,6a])	C[5,6a](B[5,5a]C[5,6a]N[5a,6]O[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[5,6a]B[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	B[5,5a](N[5a,6]C[5a,6,6a]C[6])(C[5,6a]C[5,6a]C[6a])2(O[5a]C[5a,6a]){3|H<1>,7|C<3>}	132.3435	0.310	4	132.3435	0.096	4	132.3435	0.096	4	131.7297	0.996	6	131.9562	1.124	11	131.9525	1.859	26
727	643	679	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5,5a]	4:3:3:	3:3:1:	3:4:2:2:	B[5,5a]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[4,5]-4:O[5a]-2:O[5a]-2:	C[5,6a](B[5,5a]N[4,5]O[5a]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]B[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	B[5,5a](C[5,6a]C[5,6a]C[6a])(N[4,5]C[4]2C[5])(O[5a]C[5a,6a])2	C[5,6a](B[5,5a]N[4,5]O[5a]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]B[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<4>,2|O<2>}	B[5,5a](C[5,6a]C[5,6a]C[6a])(N[4,5]C[4]2C[5])(O[5a]C[5a,6a])2{1|C<4>,4|C<3>,7|H<1>}	131.3305	0.309	2	131.3305	0.095	2	131.3305	0.095	2	131.3305	0.095	2	131.9562	1.124	11	131.9525	1.859	26
727	643	679	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5,6a]	4:3:3:	3:3:1:	3:3:3:3:	B[5,6a]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:N[5,6]-3:	C[5,6a](B[5,6a]C[6a,6a]2N[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]B[5,6a]C[5,6a])(C[6a]C[6a]H)(H)	B[5,6a](C[6a,6a]C[6a,6a]C[6a])2(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])	C[5,6a](B[5,6a]C[6a,6a]2N[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[5,6a]B[5,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	B[5,6a](C[6a,6a]C[6a,6a]C[6a])2(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6]){1|N<3>,4|H<1>,8|C<3>}	130.9120	0.000	1	131.5280	0.759	2	131.5280	0.759	2	131.5280	0.759	2	132.0270	0.625	5	131.9525	1.859	26
727	643	679	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5,6a]	4:3:3:	3:3:1:	3:3:3:3:	B[5,6a]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:N[5,6]-3:	C[5,6a](B[5,6a]C[6a,6a]2N[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]B[5,6a]C[5,6a])(C[6a]C[6a]H)(H)	B[5,6a](C[6a,6a]C[6a,6a]C[6a])2(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])	C[5,6a](B[5,6a]C[6a,6a]2N[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[5,6a]B[5,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	B[5,6a](C[6a,6a]C[6a,6a]C[6a])2(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6]){1|S<2>,4|H<1>,8|C<3>}	132.1440	0.000	1	131.5280	0.759	2	131.5280	0.759	2	131.5280	0.759	2	132.0270	0.625	5	131.9525	1.859	26
727	643	679	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5,6a]	4:3:3:	3:3:1:	3:4:2:2:	B[5,6a]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-4:O[6a]-2:O[6a]-2:	C[5,6a](B[5,6a]O[6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]B[5,6a]C[5,6a])(C[6a]C[6a]H)(H)	B[5,6a](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[6a]B[6a])2	C[5,6a](B[5,6a]O[6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|B<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]B[5,6a]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<4>,2|O<2>}	B[5,6a](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[6a]B[6a])2{1|O<2>,3|H<1>,4|C<3>}	132.3597	0.675	3	132.3597	0.456	3	132.3597	0.456	3	132.3597	0.456	3	132.0270	0.625	5	131.9525	1.859	26
727	643	679	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	B[5,5a]	3:4:3:	3:3:1:	3:3:2:2:	N[5a,6a]-3:B[5,5a]-4:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:O[5]-2:O[5]-2:	C[5a,6a](N[5a,6a]C[5a,6]C[6a])(B[5,5a]N[5a,6]O[5]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]B[5,5a])(C[6a]C[6a]H)(H)	B[5,5a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6])(O[5]C[5])2	C[5a,6a](N[5a,6a]C[5a,6]C[6a])(B[5,5a]N[5a,6]O[5]2)(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]B[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	B[5,5a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6])(O[5]C[5])2{2|H<1>,4|C<3>,4|C<4>}	131.4310	0.554	2	131.4310	0.307	2	131.4310	0.307	2	131.4310	0.307	2	131.4310	0.307	2	131.9525	1.859	26
727	643	679	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	B[5a]	3:4:3:	3:3:1:	3:3:1:1:	N[5a,6a]-3:B[5a]-4:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:F-1:F-1:	C[5a,6a](N[5a,6a]C[5a,6]C[6a])(B[5a]N[5a,6]FF)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]B[5a])(C[6a]C[6a]H)(H)	B[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6])(F)2	C[5a,6a](N[5a,6a]C[5a,6]C[6a])(B[5a]N[5a,6]FF)(C[6a]C[6a]H){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]B[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	B[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6])(F)2{2|H<1>,4|C<3>}	132.9310	0.175	2	132.9310	0.031	2	132.9310	0.031	2	132.9310	0.031	2	132.0311	4.543	8	131.9525	1.859	26
727	643	679	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	B[5a]	3:4:3:	3:3:1:	3:3:4:4:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C-4:C-4:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(B[5a]N[5,5a]CC)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]B[5a])(C[6a]C[5a]C[6a])(H)	B[5a](C[5a,6a]C[5a,6a]C[6a])(N[5,5a]N[5,5a]C[5])(CH3)2	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(B[5a]N[5,5a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]B[5a])(C[6a]C[5a]C[6a])(H){1|H<1>,1|S<2>,2|C<3>,2|C<4>,2|N<3>}	B[5a](C[5a,6a]C[5a,6a]C[6a])(N[5,5a]N[5,5a]C[5])(CH3)2{1|H<1>,5|C<3>}	130.1100	0.011	3	130.1100	0.000	3	130.1892	0.025	4	130.1892	0.025	4	132.0311	4.543	8	131.9525	1.859	26
727	643	679	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	B[5a]	3:4:3:	3:3:1:	3:3:4:4:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C-4:C-4:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(B[5a]N[5,5a]CC)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]2)(H)	B[5a](C[5a,6a]C[5a,6a]C[6a])(N[5,5a]N[5,5a]C[5])(CH3)2	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(B[5a]N[5,5a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]2)(H){1|H<1>,2|C<4>,2|N<3>,3|C<3>}	B[5a](C[5a,6a]C[5a,6a]C[6a])(N[5,5a]N[5,5a]C[5])(CH3)2{1|H<1>,5|C<3>}	130.4270	0.000	1	130.4270	0.000	1	130.1892	0.025	4	130.1892	0.025	4	132.0311	4.543	8	131.9525	1.859	26
727	643	679	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	B[5a]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5,5a]-3:F-1:F-1:	C[5a,6a](C[5a,6a]N[5,5a]N[6a])(B[5a]N[5,5a]FF)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]2)(C[6a]N[6a]N)	B[5a](C[5a,6a]C[5a,6a]C[6a])(N[5,5a]N[5,5a]C[5])(F)2	C[5a,6a](C[5a,6a]N[5,5a]N[6a])(B[5a]N[5,5a]FF)(C[6a]C[6a]2){1|N<2>,1|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]2)(C[6a]N[6a]N){1|N<2>,2|C<3>,2|F<1>,2|H<1>,2|N<3>}	B[5a](C[5a,6a]C[5a,6a]C[6a])(N[5,5a]N[5,5a]C[5])(F)2{1|C<4>,1|N<2>,4|C<3>}	135.5230	0.000	1	135.5230	0.000	1	135.5230	0.000	1	135.5230	0.000	1	132.0311	4.543	8	131.9525	1.859	26
727	643	679	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	B[5a]	3:4:3:	3:3:4:	3:3:1:1:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5,5a]-3:F-1:F-1:	C[5a,6a](C[5a,6a]N[5,5a]N[6a])(B[5a]N[5,5a]FF)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]B[5a])(C[6a]N[5a]N[6a])(CCHH)	B[5a](C[5a,6a]C[5a,6a]C[6a])(N[5,5a]N[5,5a]C[5])(F)2	C[5a,6a](C[5a,6a]N[5,5a]N[6a])(B[5a]N[5,5a]FF)(C[6a]C[6a]C){1|N<2>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]B[5a])(C[6a]N[5a]N[6a])(CCHH){1|C<3>,2|F<1>,2|N<2>,2|N<3>}	B[5a](C[5a,6a]C[5a,6a]C[6a])(N[5,5a]N[5,5a]C[5])(F)2{1|N<2>,2|C<4>,3|C<3>}	134.1070	0.000	1	134.1070	0.000	1	134.1070	0.000	1	134.1070	0.000	1	132.0311	4.543	8	131.9525	1.859	26
727	643	714	0:SP2_SP2_SPD5	C[5,6a]	C[6a]	S[4,5]	5:3:3:	3:3:1:	3:4:3:2:1:	S[4,5]-5:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[4]-4:N[4]-3:O[5]-2:O-1:	C[5,6a](S[4,5]C[4]N[4]O[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]S[4,5])(C[6a]C[6a]H)(H)	S[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[6a]C[4]H)(N[4]C[6a]C[4])(O[5]C[5])(O)	C[5,6a](S[4,5]C[4]N[4]O[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]S[4,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	S[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[6a]C[4]H)(N[4]C[6a]C[4])(O[5]C[5])(O){1|H<1>,4|C<4>,6|C<3>}	123.5390	0.000	1	123.5390	0.000	1	123.5390	0.000	1	123.5390	0.000	1	123.5390	0.000	1	123.5390	0.000	1
727	643	718	0:SP2_SP2_SPD5	C[5,6a]	C[6a]	P[4,5]	5:3:3:	3:3:1:	3:3:4:2:2:	P[4,5]-5:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[4]-4:O[4]-2:O[5]-2:	C[5,6a](P[4,5]C[6a]C[4]O[4]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[4,5])(C[6a]C[6a]H)(H)	P[4,5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[4]C[4]HH)(O[4]C[4])(O[5]C[5])	C[5,6a](P[4,5]C[6a]C[4]O[4]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]P[4,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	P[4,5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[4]C[4]HH)(O[4]C[4])(O[5]C[5]){3|H<1>,4|C<3>,4|C<4>}	126.4758	0.390	4	126.4758	0.152	4	126.4758	0.152	4	126.4758	0.152	4	126.4663	0.137	7	126.4663	0.137	7
727	643	718	0:SP2_SP2_SPD5	C[5,6a]	C[6a]	P[4,5]	5:3:3:	3:3:1:	3:3:4:3:2:	P[4,5]-5:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[4]-4:N[5]-3:O[4]-2:	C[5,6a](P[4,5]C[6a]C[4]N[5]O[4])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[4,5])(C[6a]C[6a]H)(H)	P[4,5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[4]C[4]CC)(N[5]C[5]H)(O[4]C[4])	C[5,6a](P[4,5]C[6a]C[4]N[5]O[4])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]P[4,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	P[4,5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[4]C[4]CC)(N[5]C[5]H)(O[4]C[4]){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	126.2080	0.000	2	126.2080	0.000	2	126.2080	0.000	2	126.2080	0.000	2	126.4663	0.137	7	126.4663	0.137	7
727	643	718	0:SP2_SP2_SPD5	C[5,6a]	C[6a]	P[4,5]	5:3:3:	3:3:1:	3:4:2:3:3:	P[4,5]-5:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[4]-4:O[4]-2:C[6a]-3:N[5]-3:	C[5,6a](P[4,5]C[6a]C[4]N[5]O[4])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[4,5])(C[6a]C[6a]H)(H)	P[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[4,5,6]CH)(O[4]C[4,5,6])(C[6a]C[6a]2)(N[5]C[5]H)	C[5,6a](P[4,5]C[6a]C[4]N[5]O[4])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]P[4,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	P[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[4,5,6]CH)(O[4]C[4,5,6])(C[6a]C[6a]2)(N[5]C[5]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	126.9450	0.000	1	126.9450	0.000	1	126.9450	0.000	1	126.9450	0.000	1	126.4663	0.137	7	126.4663	0.137	7
727	643	722	0:SP2_SP2_SPD5	C[5,6a]	C[6a]	Si[4,4,5]	3:5:3:	3:3:1:	3:4:3:3:2:	C[5,6a,6a]-3:Si[4,4,5]-5:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[4,5]-4:N[4]-3:N[4]-3:O[4]-2:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(Si[4,4,5]Si[4,5]N[4]2O[4])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]Si[4,4,5])(C[6a]C[5,6a]H)(H)	Si[4,4,5](C[5,6a]C[5,6a,6a]C[6a])(Si[4,5]C[5,6a]C[4]N)(N[4]C[4]C)2(O[4]C[4])	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(Si[4,4,5]Si[4,5]N[4]2O[4])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]Si[4,4,5])(C[6a]C[5,6a]H)(H){1|Si<4>,1|C<4>,1|O<2>,2|C<3>,2|N<3>}	Si[4,4,5](C[5,6a]C[5,6a,6a]C[6a])(Si[4,5]C[5,6a]C[4]N)(N[4]C[4]C)2(O[4]C[4]){1|H<1>,6|C<3>}	126.1900	0.000	1	126.1900	0.000	1	126.1900	0.000	1	126.1900	0.000	1	126.1900	0.000	1	126.1900	0.000	1
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6,6,6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[6,6,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[6,6,6a]-3:C[5,6a]-3:C[3x6]-4:	C[6,6,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5,6a]C[6,6,6a]C[5,6a])(C[5,6a]C[6,6,6a]C[5])	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5,6a]C[5,6a]2)(C[3x6]C[6,6]2H)	C[5,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5,6a]C[6,6,6a]C[5,6a])(C[5,6a]C[6,6,6a]C[5])	C[5,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5,6a]C[6,6,6a]C[5,6a])(C[5,6a]C[6,6,6a]C[5]){3|C<3>,3|H<1>,5|C<4>}	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5,6a]C[5,6a]2)(C[3x6]C[6,6]2H){3|C<3>,4|C<4>,5|H<1>}	C[5,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5,6a]C[6,6,6a]C[5,6a])(C[5,6a]C[6,6,6a]C[5]){3|C<3>,3|H<1>,5|C<4>}	134.3637	0.677	6	134.3637	0.458	6	134.3637	0.458	6	134.3637	0.458	6	134.3637	0.458	6	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[5,6a]-3:S[6]-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6,6a]C[6,6a]S[6])	C[6,6a](C[6,6a]C[6a,6a]S[6])(C[5,6a]C[5,6a]2)(S[6]C[6])	C[5,6a](C[5,6a]C[5,6a]C[6,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6,6a]C[6,6a]S[6]){1|C<4>,1|S<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]S[6])(C[5,6a]C[5,6a]2)(S[6]C[6]){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|S<2>,2|O<2>,4|C<3>}	131.1010	0.000	1	131.1010	0.000	1	131.1010	0.000	1	131.7665	0.886	2	131.7527	0.443	3	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[5,6a]-3:S[6]-2:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5])(C[6,6a]C[6,6a]S[6])	C[6,6a](C[6,6a]C[6a,6a]S[6])(C[5,6a]C[5,6a]2)(S[6]C[6])	C[5,6a](C[5,6a]C[5,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5])(C[6,6a]C[6,6a]S[6]){1|C<4>,1|H<1>,1|S<2>,6|C<3>}	C[6,6a](C[6,6a]C[6a,6a]S[6])(C[5,6a]C[5,6a]2)(S[6]C[6]){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5]){1|S<2>,3|H<1>,6|C<3>}	132.4320	0.000	1	132.4320	0.000	1	132.4320	0.000	1	131.7665	0.886	2	131.7527	0.443	3	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[6,6a,6a]-3:C[5,6a]-3:C[6]-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[6,6a]C[6,6a,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[5,6a]C[5,6a]2)(C[6]C[6]HH)	C[5,6a](C[5,6a]C[5,6a]C[6,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[6,6a]C[6,6a,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5]){1|C<2>,1|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[5,6a]C[5,6a]2)(C[6]C[6]HH){1|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	131.7250	0.000	1	131.7250	0.000	1	131.7250	0.000	1	131.7250	0.000	1	131.7527	0.443	3	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,5a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])	C[6a,6a](C[5,6a]C[5,5a]C[5,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,5a](C[5,6a]C[6a,6a]C[5,6a])(C[5,5a]N[5a]C[5])(C[5a]N[5a]C)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5]){1|N<2>,1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6a,6a](C[5,6a]C[5,5a]C[5,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[5,5a](C[5,6a]C[6a,6a]C[5,6a])(C[5,5a]N[5a]C[5])(C[5a]N[5a]C){1|O<2>,2|H<1>,3|C<3>}	133.0060	0.000	1	133.0060	0.000	1	132.1064	0.299	5	132.1064	0.299	5	132.1064	0.299	5	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,5a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])	C[6a,6a](C[5,6a]C[5,5a]C[5,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,5a](C[5,6a]C[6a,6a]C[5,6a])(C[5,5a]S[5a]C[5])(C[5a]C[5a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5]){2|S<2>,4|C<3>,4|H<1>}	C[6a,6a](C[5,6a]C[5,5a]C[5,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[5,5a](C[5,6a]C[6a,6a]C[5,6a])(C[5,5a]S[5a]C[5])(C[5a]C[5a]H){1|S<2>,2|H<1>,3|C<3>}	131.8815	0.249	4	131.8815	0.062	4	132.1064	0.299	5	132.1064	0.299	5	132.1064	0.299	5	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[3x6a]C[6a])	C[5,6a](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,8|C<3>}	C[6a,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[3x6a]C[6a]){1|H<1>,9|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	136.8210	0.000	1	136.8210	0.000	1	136.8210	0.000	1	132.0386	7.484	118	132.0386	7.484	118	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]2)(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,8|C<3>}	C[6a,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]2)(C[5,6a]C[5,6a]2){9|C<3>}	134.4250	0.000	1	134.4250	0.000	1	134.4250	0.000	1	132.0386	7.484	118	132.0386	7.484	118	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5a,6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5,6a])	C[6a,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5,6a]){1|H<1>,8|C<3>}	C[6a,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,8|C<3>}	136.0720	0.000	1	136.0720	0.000	1	136.0720	0.000	1	132.0386	7.484	118	132.0386	7.484	118	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[6a,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|H<1>,8|C<3>}	C[6a,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]2){9|C<3>}	135.9410	0.000	1	135.9410	0.000	1	135.9410	0.000	1	132.0386	7.484	118	132.0386	7.484	118	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])	C[6a,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a]){2|H<1>,7|C<3>}	C[6a,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	136.4500	0.408	4	136.4500	0.166	4	135.3447	0.961	13	132.0386	7.484	118	132.0386	7.484	118	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])	C[6a,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a]){2|H<1>,7|C<3>}	C[6a,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	135.7375	0.129	2	135.7375	0.017	2	135.3447	0.961	13	132.0386	7.484	118	132.0386	7.484	118	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])	C[6a,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a]){1|H<1>,8|C<3>}	C[6a,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|Cl<1>,8|C<3>}	135.2160	0.096	2	135.2160	0.009	2	135.3447	0.961	13	132.0386	7.484	118	132.0386	7.484	118	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])	C[6a,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]Cl)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a]){1|Cl<1>,1|H<1>,7|C<3>}	C[6a,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]Cl){7|C<3>}	134.2660	0.618	2	134.2660	0.382	2	135.3447	0.961	13	132.0386	7.484	118	132.0386	7.484	118	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])	C[6a,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a]){1|H<1>,8|C<3>}	C[6a,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|H<1>,6|C<3>}	134.7150	0.000	1	134.7150	0.000	1	135.3447	0.961	13	132.0386	7.484	118	132.0386	7.484	118	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])	C[6a,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a]){2|H<1>,7|C<3>}	C[6a,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	133.8570	0.000	1	134.2635	0.330	2	135.3447	0.961	13	132.0386	7.484	118	132.0386	7.484	118	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])	C[6a,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a]){2|H<1>,7|C<3>}	C[6a,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	134.6700	0.000	1	134.2635	0.330	2	135.3447	0.961	13	132.0386	7.484	118	132.0386	7.484	118	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]Si[5])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]Si[5])(C[6a,6a]C[6a,6a]2)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]Si[5])(C[6a,6a]C[6a,6a]2){1|H<1>,2|C<4>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2){1|Si<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]Si[5])(C[6a,6a]C[6a,6a]2){1|H<1>,2|C<4>,7|C<3>}	128.2640	0.605	2	128.2640	0.366	2	128.2640	0.366	2	132.0386	7.484	118	132.0386	7.484	118	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a]){2|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|H<1>,1|O<2>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	130.6320	0.000	1	130.6320	0.000	1	130.6320	0.000	1	132.0386	7.484	118	132.0386	7.484	118	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5,6a])	C[5,6a](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,8|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|H<1>,1|O<2>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5,6a]){1|H<1>,8|C<3>}	131.4170	0.000	1	131.4170	0.000	1	131.4170	0.000	1	132.0386	7.484	118	132.0386	7.484	118	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a,6a]C[6a,6a]2){1|C<4>,1|H<1>,8|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|C<4>,1|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){3|H<1>,5|C<3>}	131.1610	0.000	1	132.5575	3.900	2	132.5274	1.017	5	132.0386	7.484	118	132.0386	7.484	118	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a,6a]C[6a,6a]2){1|C<4>,8|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|H<1>,9|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){2|H<1>,5|C<3>}	133.9540	0.000	1	132.5575	3.900	2	132.5274	1.017	5	132.0386	7.484	118	132.0386	7.484	118	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a,6a]C[6a,6a]2){1|H<1>,8|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|H<1>,9|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	132.8380	0.000	1	132.8380	0.000	1	132.5274	1.017	5	132.0386	7.484	118	132.0386	7.484	118	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a,6a]C[6a,6a]2){2|H<1>,8|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[5,6a]C[5,6a]2){1|C<4>,2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	132.3420	0.023	2	132.3420	0.001	2	132.5274	1.017	5	132.0386	7.484	118	132.0386	7.484	118	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])	C[6a,6a](C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a]){2|H<1>,7|C<3>}	C[6a,6a](C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|Br<1>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	131.5970	0.000	1	131.4750	0.041	6	131.4750	0.041	6	132.0386	7.484	118	132.0386	7.484	118	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])	C[6a,6a](C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a]){3|H<1>,6|C<3>}	C[6a,6a](C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	131.5120	0.220	3	131.4750	0.041	6	131.4750	0.041	6	132.0386	7.484	118	132.0386	7.484	118	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])	C[6a,6a](C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a]){3|H<1>,6|C<3>}	C[6a,6a](C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	131.3585	0.250	2	131.4750	0.041	6	131.4750	0.041	6	132.0386	7.484	118	132.0386	7.484	118	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[6a,6a](C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5])(C[6,6a]C[6,6a]S[6])	C[5,6a](C[5,6a]C[5,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5]){1|S<2>,3|H<1>,6|C<3>}	C[6a,6a](C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5])(C[6,6a]C[6,6a]S[6]){1|C<4>,1|H<1>,1|S<2>,6|C<3>}	133.7890	0.000	1	133.7890	0.000	1	133.7890	0.000	1	132.0386	7.484	118	132.0386	7.484	118	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[6a,6a](C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5]){1|Ir<8>,1|H<1>,7|C<3>}	C[6a,6a](C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5]){2|H<1>,7|C<3>}	133.3250	0.000	1	133.4115	0.015	2	129.0208	4.820	16	132.0386	7.484	118	132.0386	7.484	118	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[6a,6a](C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5]){2|H<1>,7|C<3>}	C[6a,6a](C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5]){1|Ir<8>,1|H<1>,7|C<3>}	133.4980	0.000	1	133.4115	0.015	2	129.0208	4.820	16	132.0386	7.484	118	132.0386	7.484	118	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]P[5])	C[6a,6a](C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]P[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]P[5]){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[6a,6a](C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|P<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]P[5]){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	128.9750	0.638	10	128.9305	0.361	12	129.0208	4.820	16	132.0386	7.484	118	132.0386	7.484	118	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]P[5])	C[6a,6a](C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]P[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]P[5]){1|O<1>,2|H<1>,7|C<3>}	C[6a,6a](C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|P<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]P[5]){1|O<1>,2|H<1>,7|C<3>}	128.7080	0.441	2	128.9305	0.361	12	129.0208	4.820	16	132.0386	7.484	118	132.0386	7.484	118	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]Si[5])	C[6a,6a](C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]Si[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]Si[5]){1|H<1>,2|O<2>,7|C<3>}	C[6a,6a](C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|Si<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]Si[5]){1|H<1>,2|O<2>,7|C<3>}	125.1720	0.177	2	125.1720	0.031	2	129.0208	4.820	16	132.0386	7.484	118	132.0386	7.484	118	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5])	C[6a,6a](C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]S[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5]){2|H<1>,2|O<1>,6|C<3>}	C[6a,6a](C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|S<4>,3|H<1>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]S[5]){1|H<1>,2|O<1>,7|C<3>}	130.4320	0.000	1	130.4320	0.000	1	130.4320	0.000	1	132.0386	7.484	118	132.0386	7.484	118	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5]){1|Ir<8>,1|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2){3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H){1|H<1>,6|C<3>}	133.6600	0.000	1	133.6600	0.000	1	133.6600	0.000	1	132.0386	7.484	118	132.0386	7.484	118	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5]){1|H<1>,1|O<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2){3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5]){1|H<1>,1|O<1>,7|C<3>}	135.3135	0.209	2	135.0860	0.415	8	135.0860	0.415	8	132.0386	7.484	118	132.0386	7.484	118	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5]){1|H<1>,9|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2){1|C<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5]){1|H<1>,9|C<3>}	134.1500	0.197	2	135.0860	0.415	8	135.0860	0.415	8	132.0386	7.484	118	132.0386	7.484	118	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5]){2|H<1>,8|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2){1|C<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5]){2|H<1>,8|C<3>}	135.4402	0.394	4	135.0860	0.415	8	135.0860	0.415	8	132.0386	7.484	118	132.0386	7.484	118	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a]){2|H<1>,8|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	127.0050	0.000	1	127.0050	0.000	1	127.0050	0.000	1	132.0386	7.484	118	132.0386	7.484	118	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5]){1|C<4>,2|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5]){1|C<4>,2|H<1>,7|C<3>}	132.1578	0.634	6	133.1991	0.938	19	133.1991	0.938	19	132.0386	7.484	118	132.0386	7.484	118	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5]){2|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5]){2|H<1>,7|C<3>}	133.8957	0.449	11	133.1991	0.938	19	133.1991	0.938	19	132.0386	7.484	118	132.0386	7.484	118	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5]){3|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5]){3|H<1>,7|C<3>}	132.4910	0.064	2	133.1991	0.938	19	133.1991	0.938	19	132.0386	7.484	118	132.0386	7.484	118	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5]){1|C<4>,1|O<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(C[5,6a]C[5,6a]2){1|H<1>,9|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5]){1|C<4>,1|O<1>,7|C<3>}	134.1555	0.356	2	134.1555	0.127	2	133.9185	0.224	6	132.0386	7.484	118	132.0386	7.484	118	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5]){1|C<4>,1|O<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[5,6a]C[5,6a]2){2|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5]){1|C<4>,1|O<1>,7|C<3>}	133.8000	0.525	4	133.8000	0.276	4	133.9185	0.224	6	132.0386	7.484	118	132.0386	7.484	118	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[3x6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6,6a]C[5])	C[6a,6a](C[3x6a]C[6,6a,6a]C[6a,6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6,6a]C[5]){1|C<2>,1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6a,6a](C[3x6a]C[6,6a,6a]C[6a,6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|O<2>,2|H<1>,4|C<3>}	130.7940	0.000	1	130.7940	0.000	1	129.1947	3.184	3	132.0386	7.484	118	132.0386	7.484	118	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[3x6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5]){1|O<1>,3|H<1>,6|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|H<1>,1|P<4>,6|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	129.5200	0.000	1	129.5200	0.000	1	129.1947	3.184	3	132.0386	7.484	118	132.0386	7.484	118	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[3x6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5]){2|C<4>,3|H<1>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|Si<4>,1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	127.2700	0.000	1	127.2700	0.000	1	129.1947	3.184	3	132.0386	7.484	118	132.0386	7.484	118	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[5,6a](C[6a,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5]){1|C<4>,3|H<1>,6|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){4|C<3>,4|H<1>}	131.4140	0.000	1	131.4140	0.000	1	129.3180	0.907	9	132.0386	7.484	118	132.0386	7.484	118	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5]){4|H<1>,6|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	129.0560	0.575	8	129.0560	0.330	8	129.3180	0.907	9	132.0386	7.484	118	132.0386	7.484	118	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]S[5])	C[6a,6a](C[5,6a]C[5,6a]2)2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5])	C[5,6a](C[6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]S[5]){1|H<1>,2|O<1>,7|C<3>}	C[6a,6a](C[5,6a]C[5,6a]2)2(C[6a,6a]C[6a]2){2|H<1>,2|S<4>,6|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5]){2|H<1>,2|O<1>,6|C<3>}	130.7990	0.000	1	130.7990	0.000	1	130.7990	0.000	1	132.0386	7.484	118	132.0386	7.484	118	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])	C[6a,6a](C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a]){2|C<4>,2|H<1>,6|C<3>}	C[6a,6a](C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	130.1000	0.000	1	130.1000	0.000	1	132.8097	2.224	6	132.0386	7.484	118	132.0386	7.484	118	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])	C[6a,6a](C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a]){1|O<2>,2|H<1>,7|C<3>}	C[6a,6a](C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H){1|O<2>,7|C<3>}	134.0570	0.000	1	134.0570	0.000	1	132.8097	2.224	6	132.0386	7.484	118	132.0386	7.484	118	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])	C[6a,6a](C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5]){1|C<4>,3|H<1>,6|C<3>}	C[6a,6a](C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]2){1|C<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){4|C<3>,4|H<1>}	133.7730	0.000	1	133.7730	0.000	1	132.8097	2.224	6	132.0386	7.484	118	132.0386	7.484	118	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])	C[6a,6a](C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5]){1|O<1>,3|H<1>,5|C<3>}	C[6a,6a](C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,5|C<3>}	132.4840	0.000	1	132.4840	0.000	1	132.8097	2.224	6	132.0386	7.484	118	132.0386	7.484	118	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])	C[6a,6a](C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5]){1|C<2>,3|H<1>,5|C<3>}	C[6a,6a](C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){1|C<2>,1|H<1>,5|C<3>}	132.5710	0.000	1	132.5710	0.000	1	132.8097	2.224	6	132.0386	7.484	118	132.0386	7.484	118	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]O[6a]C[5])	C[6a,6a](C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]O[6a]C[5]){2|C<4>,2|H<1>,5|C<3>}	C[6a,6a](C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	133.8730	0.000	1	133.8730	0.000	1	132.8097	2.224	6	132.0386	7.484	118	132.0386	7.484	118	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5a,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5]){4|H<1>,6|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	129.8985	0.459	2	129.8985	0.211	2	129.8985	0.211	2	132.0386	7.484	118	132.0386	7.484	118	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5a,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5]){2|H<1>,7|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2){2|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	131.8550	0.000	1	131.8550	0.000	1	133.0845	3.023	2	132.0386	7.484	118	132.0386	7.484	118	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5a,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5]){1|O<1>,1|S<2>,2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2){2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	134.3140	0.000	1	134.3140	0.000	1	133.0845	3.023	2	132.0386	7.484	118	132.0386	7.484	118	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5a,6a]C[5])	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5a,6a]C[5]){2|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	130.5970	0.000	1	130.5970	0.000	1	130.5991	3.402	8	132.0386	7.484	118	132.0386	7.484	118	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]P[5])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]P[5]){1|O<1>,2|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|P<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	127.5500	0.000	1	127.8410	0.169	2	130.5991	3.402	8	132.0386	7.484	118	132.0386	7.484	118	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]P[5])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]P[5]){1|W<6>,2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|P<3>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|W<6>,2|H<1>,4|C<3>}	128.1320	0.000	1	127.8410	0.169	2	130.5991	3.402	8	132.0386	7.484	118	132.0386	7.484	118	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	131.0920	0.315	2	131.7653	0.755	4	130.5991	3.402	8	132.0386	7.484	118	132.0386	7.484	118	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5]){1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|Br<1>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	132.0190	0.000	1	131.7653	0.755	4	130.5991	3.402	8	132.0386	7.484	118	132.0386	7.484	118	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5]){1|N<2>,4|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	132.8580	0.000	1	131.7653	0.755	4	130.5991	3.402	8	132.0386	7.484	118	132.0386	7.484	118	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5]){1|O<1>,1|O<2>,2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,6|C<3>}	131.4530	0.000	1	131.4530	0.000	1	130.5991	3.402	8	132.0386	7.484	118	132.0386	7.484	118	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6,6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[6,6a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a,6a]C[6,6a]2)(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6,6a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5]){1|H<1>,2|C<4>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a,6a]C[6,6a]2)(C[5,6a]C[5,6a]2){2|Si<4>,1|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	126.8425	0.255	2	126.8425	0.065	2	126.8425	0.065	2	132.0386	7.484	118	132.0386	7.484	118	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:2:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:S[5a]-2:	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,5a](C[5,5a]C[5a,5a]C[5])(C[5,6a]C[5,6a]C[6a])(S[5a]C[5a,5a])	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(H){1|C<4>,1|S<2>,6|C<3>}	C[5,5a](C[5,5a]C[5a,5a]C[5])(C[5,6a]C[5,6a]C[6a])(S[5a]C[5a,5a]){1|H<1>,1|S<2>,5|C<3>}	131.1000	0.181	4	131.1000	0.033	4	130.8169	4.904	7	131.7663	5.255	49	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:2:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:S[5a]-2:	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(S[5a]C[5a,6a])	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(H){1|C<4>,1|S<2>,6|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,6|C<3>}	131.8290	0.000	1	132.5785	1.124	2	130.8169	4.904	7	131.7663	5.255	49	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:2:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:S[5a]-2:	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(S[5a]C[5a,6a])	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(H){1|S<2>,6|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,5|C<3>}	133.3280	0.000	1	132.5785	1.124	2	130.8169	4.904	7	131.7663	5.255	49	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:2:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:S[5a]-2:	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]Si[5])(H)	C[5,5a](C[5,5a]C[5a,6a]Si[5])(C[5,6a]C[5,6a]C[6a])(S[5a]C[5a,6a])	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H){1|Si<4>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]Si[5])(H){1|Si<4>,1|S<2>,2|C<4>,4|C<3>}	C[5,5a](C[5,5a]C[5a,6a]Si[5])(C[5,6a]C[5,6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,2|C<4>,4|C<3>}	126.1610	0.000	1	126.1610	0.000	1	130.8169	4.904	7	131.7663	5.255	49	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:2:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,5a]-3:S[5a]-2:	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(S[5a]C[5a])	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(H){1|S<2>,3|C<4>,4|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(S[5a]C[5a]){2|C<3>,2|C<4>,3|H<1>}	132.3255	0.077	2	132.1510	0.269	7	132.1510	0.269	7	131.7663	5.255	49	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:2:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,5a]-3:S[5a]-2:	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(S[5a]C[5a])	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(H){1|S<2>,3|C<4>,4|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(S[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	131.8835	0.497	4	132.1510	0.269	7	132.1510	0.269	7	131.7663	5.255	49	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:2:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,5a]-3:S[5a]-2:	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(S[5a]C[5a])	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(H){1|S<2>,6|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	132.8720	0.000	1	132.1510	0.269	7	132.1510	0.269	7	131.7663	5.255	49	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:2:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5a,6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:S[5a]-2:	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[5a])(H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(S[5a]C[5a,6a])	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[5a])(H){1|S<2>,6|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,5|C<3>}	133.2990	0.000	2	133.2990	0.000	2	133.2990	0.000	2	131.7663	5.255	49	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:2:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5a,6a]-3:H-1:	C[5,6a]-3:C[5,5a]-3:S[5a]-2:	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[5a])(H)	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(S[5a]C[5a])	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[5a])(H){1|S<2>,6|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(S[5a]C[5a]){3|C<3>,3|H<1>}	129.3660	0.000	1	129.3660	0.000	1	129.3660	0.000	1	131.7663	5.255	49	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:2:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:N[5a]-2:	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,5a](C[5,5a]C[5a,6a]N[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a])	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[5,5a](C[5,5a]C[5a,6a]N[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	138.4630	0.000	1	138.4630	0.000	1	138.4630	0.000	1	131.7663	5.255	49	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:2:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:O[5a]-2:	C[5,6a](C[5,5a]C[5,5a]O[5a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(O[5a]C[5a,6a])	C[5,6a](C[5,5a]C[5,5a]O[5a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(O[5a]C[5a,6a]){1|H<1>,6|C<3>}	135.2135	0.227	2	135.2135	0.052	2	134.0093	4.376	3	131.7663	5.255	49	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:2:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:O[5a]-2:	C[5,6a](C[5,5a]C[5,5a]O[5a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,5a](C[5,5a]C[5a,6a]B[5])(C[5,6a]C[5,6a]C[6a])(O[5a]C[5a,6a])	C[5,6a](C[5,5a]C[5,5a]O[5a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|O<2>,2|C<3>}	C[5,5a](C[5,5a]C[5a,6a]B[5])(C[5,6a]C[5,6a]C[6a])(O[5a]C[5a,6a]){1|H<1>,5|C<3>}	131.6010	0.000	1	131.6010	0.000	1	134.0093	4.376	3	131.7663	5.255	49	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:2:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:S[5a]-2:	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(S[5a]C[5a,6a])	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,6|C<3>}	133.2250	0.286	2	133.2250	0.082	2	129.6964	4.949	10	131.7663	5.255	49	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:2:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:S[5a]-2:	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,5a](C[5,5a]C[5a,6a]B[5])(C[5,6a]C[5,6a]C[6a])(S[5a]C[5a,6a])	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|S<2>,2|C<3>}	C[5,5a](C[5,5a]C[5a,6a]B[5])(C[5,6a]C[5,6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,5|C<3>}	129.6780	0.000	1	129.6780	0.000	1	129.6964	4.949	10	131.7663	5.255	49	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:2:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:S[5a]-2:	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,5a](C[5,5a]C[5a,6a]P[5])(C[5,6a]C[5,6a]C[6a])(S[5a]C[5a,6a])	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,1|S<2>,2|C<3>}	C[5,5a](C[5,5a]C[5a,6a]P[5])(C[5,6a]C[5,6a]C[6a])(S[5a]C[5a,6a]){1|C<4>,1|H<1>,5|C<3>}	128.3920	0.000	1	128.4022	0.027	4	129.6964	4.949	10	131.7663	5.255	49	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:2:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:S[5a]-2:	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,5a](C[5,5a]C[5a,6a]P[5])(C[5,6a]C[5,6a]C[6a])(S[5a]C[5a,6a])	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,1|S<2>,2|C<3>}	C[5,5a](C[5,5a]C[5a,6a]P[5])(C[5,6a]C[5,6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,1|O<1>,5|C<3>}	128.4057	0.201	3	128.4022	0.027	4	129.6964	4.949	10	131.7663	5.255	49	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:2:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:S[5a]-2:	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,5a](C[5,5a]C[5a,6a]S[5])(C[5,6a]C[5,6a]C[6a])(S[5a]C[5a,6a])	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|N<3>,1|S<2>,1|S<4>,2|C<3>}	C[5,5a](C[5,5a]C[5a,6a]S[5])(C[5,6a]C[5,6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,2|O<1>,4|C<3>}	130.4435	0.626	2	130.4435	0.392	2	129.6964	4.949	10	131.7663	5.255	49	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:2:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:S[5a]-2:	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,5a](C[5,5a]C[5a,6a]Si[5])(C[5,6a]C[5,6a]C[6a])(S[5a]C[5a,6a])	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,5a](C[5,5a]C[5a,6a]Si[5])(C[5,6a]C[5,6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,2|C<4>,4|C<3>}	126.3400	0.000	1	126.3400	0.000	1	129.6964	4.949	10	131.7663	5.255	49	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:2:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5a]-3:N[5a]-2:	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]Br)(H)	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(N[5a]N[5a])	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(N[5a]N[5a]){1|C<4>,2|C<3>,4|H<1>}	131.7750	0.000	1	131.7750	0.000	1	132.2570	0.465	2	131.7663	5.255	49	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:2:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5a]-3:N[5a]-2:	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]S[5a]C[5])(N[5a]C[5a])	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|S<2>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]S[5a]C[5])(N[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	132.7390	0.000	1	132.7390	0.000	1	132.2570	0.465	2	131.7663	5.255	49	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:2:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5a]-3:S[5a]-2:	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5,5a]C[5])(S[5a]C[5,5a])	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5,5a]C[5])(S[5a]C[5,5a]){1|C<4>,3|C<3>,3|H<1>}	132.9820	0.000	2	132.9820	0.000	2	132.0697	1.711	4	131.7663	5.255	49	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:2:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5a]-3:S[5a]-2:	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(S[5a]C[5a])	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(S[5a]C[5a]){2|H<1>,5|C<3>}	132.1070	0.000	1	132.1070	0.000	1	132.0697	1.711	4	131.7663	5.255	49	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:2:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5a]-3:S[5a]-2:	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]S[5])(S[5a]C[5a])	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,1|S<4>,2|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]S[5])(S[5a]C[5a]){2|H<1>,2|O<1>,3|C<3>}	130.2080	0.000	1	130.2080	0.000	1	132.0697	1.711	4	131.7663	5.255	49	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:2:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5a]-3:N[5a]-2:	C[5,6a](C[5,5a]N[5,5a]N[5a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5]C[5a])(N[5a]C[5a])	C[5,6a](C[5,5a]N[5,5a]N[5a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,2|N<2>,3|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5]C[5a])(N[5a]C[5a]){1|H<1>,2|N<2>,4|C<3>}	132.8460	0.000	1	132.8460	0.000	1	132.2587	0.748	9	131.7663	5.255	49	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:2:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5a]-3:N[5a]-2:	C[5,6a](C[5,5a]N[5,5a]N[5a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,6]C[5a])(N[5a]C[5a])	C[5,6a](C[5,5a]N[5,5a]N[5a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,6]C[5a])(N[5a]C[5a]){1|H<1>,6|C<3>}	131.9484	0.557	5	131.9484	0.310	5	132.2587	0.748	9	131.7663	5.255	49	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:2:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5a]-3:N[5a]-2:	C[5,6a](C[5,5a]N[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]C)(H)	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a])	C[5,6a](C[5,5a]N[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]){1|C<4>,2|H<1>,4|C<3>}	131.1230	0.000	1	131.1230	0.000	1	132.2587	0.748	9	131.7663	5.255	49	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:2:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5a]-3:N[5a]-2:	C[5,6a](C[5,5a]N[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]C[5])(N[5a]C[5a])	C[5,6a](C[5,5a]N[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]C[5])(N[5a]C[5a]){1|O<1>,2|C<3>,3|H<1>}	133.3085	0.653	2	133.3085	0.426	2	132.2587	0.748	9	131.7663	5.255	49	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:2:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,5a]-3:S[5a]-2:	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5,6a]C[5,5a]C[5,6a])(H)	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(S[5a]C[5a])	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5,6a]C[5,5a]C[5,6a])(H){2|S<2>,5|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(S[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	132.4490	0.000	1	132.4490	0.000	1	132.4490	0.000	1	131.7663	5.255	49	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:S[5a]-2:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]S[5a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5,5a]C[5a,5a]C[5,6a])(C[5,6a]C[5,6a,6a]C[6a])(S[5a]C[5a,5a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]S[5a])(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5,5a](C[5,5a]C[5a,5a]C[5,6a])(C[5,6a]C[5,6a,6a]C[6a])(S[5a]C[5a,5a]){1|H<1>,5|C<3>}	137.0640	0.000	1	137.0640	0.000	1	137.0640	0.000	1	131.7663	5.255	49	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5,5a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5a]-3:C[5,6a]-3:N[5a]-2:	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[5,5a]N[5,5a]N[5a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a,6a]H)(H)	C[5,5a](N[5,5a]C[5a,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a])	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[5,5a]N[5,5a]N[5a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a,6a]H)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	129.7210	0.000	1	129.7210	0.000	1	129.7210	0.000	1	131.7663	5.255	49	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[5a]-3:	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[6a])	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(H){7|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[6a]){1|H<1>,7|C<3>}	132.8220	0.000	1	132.8220	0.000	1	132.8220	0.000	1	133.9165	8.909	134	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[5,6a]-3:C[5,5a]-3:	C[5,6a](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]S[5a]C[5])	C[5,6a](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|H<1>,1|S<2>,5|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(H){7|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]S[5a]C[5]){2|H<1>,5|C<3>}	132.7570	0.000	2	132.7570	0.000	2	132.7570	0.000	2	133.9165	8.909	134	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5a,6a]-3:H-1:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[5a])(H)	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]S[5a]C[5])(C[5a]C[5a]H)	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){1|S<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[5a])(H){7|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]S[5a]C[5])(C[5a]C[5a]H){1|H<1>,4|C<3>}	132.5230	0.000	1	132.5230	0.000	1	132.5230	0.000	1	133.9165	8.909	134	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5,6a]-3:C[5,5a]-3:	C[5,6a](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[5a])(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]S[5a]C[5])	C[5,6a](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){1|H<1>,1|S<2>,5|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[5a])(H){7|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]S[5a]C[5]){2|H<1>,5|C<3>}	131.9225	0.033	2	131.9225	0.001	2	131.9225	0.001	2	133.9165	8.909	134	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[5a]-3:	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]N)	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){1|H<1>,2|N<3>,4|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,6|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]N){1|H<1>,1|N<3>,4|C<3>}	132.9690	0.000	1	132.9690	0.000	1	132.9800	0.000	2	133.9165	8.909	134	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[5a]-3:	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]Si)	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){2|Si<4>,1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,6|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]Si){1|Si<4>,1|H<1>,4|C<3>}	132.9910	0.000	1	132.9910	0.000	1	132.9800	0.000	2	133.9165	8.909	134	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:N[5a]-3:	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a,6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5,5a](C[5,5a]C[5a,6a]Si[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C)	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a,6a]H){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(H){1|Si<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,5a](C[5,5a]C[5a,6a]Si[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C){1|C<4>,1|H<1>,5|C<3>}	129.3710	0.116	2	129.3710	0.013	2	129.3710	0.013	2	133.9165	8.909	134	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[5a]-3:	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]B[5])	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|B<3>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]B[5]){1|H<1>,2|O<2>,5|C<3>}	133.0880	0.000	1	133.0880	0.000	1	133.7315	0.274	10	133.9165	8.909	134	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[5a]-3:	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C)	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|Br<1>,4|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C){1|C<4>,1|H<1>,4|C<3>}	133.7130	0.000	1	133.7870	0.011	2	133.7315	0.274	10	133.9165	8.909	134	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[5a]-3:	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C)	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C){1|H<1>,5|C<3>}	133.8610	0.000	1	133.7870	0.011	2	133.7315	0.274	10	133.9165	8.909	134	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[5a]-3:	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a]){1|H<1>,1|S<2>,6|C<3>}	133.7280	0.000	1	133.7280	0.000	1	133.7315	0.274	10	133.9165	8.909	134	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[5a]-3:	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[6a])	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|C<2>,4|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[6a]){1|H<1>,7|C<3>}	134.3780	0.000	1	134.0086	0.232	5	133.7315	0.274	10	133.9165	8.909	134	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[5a]-3:	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[6a])	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[6a]){1|H<1>,7|C<3>}	134.3210	0.000	1	134.0086	0.232	5	133.7315	0.274	10	133.9165	8.909	134	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[5a]-3:	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[6a])	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[6a]){1|H<1>,7|C<3>}	133.4975	0.238	2	134.0086	0.232	5	133.7315	0.274	10	133.9165	8.909	134	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[5a]-3:	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[6a])	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[6a]){1|H<1>,7|C<3>}	134.3490	0.000	1	134.0086	0.232	5	133.7315	0.274	10	133.9165	8.909	134	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[5a]-3:	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]N)(H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]Si)	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|Si<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]N)(H){1|H<1>,4|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]Si){1|Si<4>,1|H<1>,4|C<3>}	132.8820	0.000	1	132.8820	0.000	1	133.7315	0.274	10	133.9165	8.909	134	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:N[5a]-3:	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,5a](C[5,5a]C[5a,6a]B[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C)	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	C[5,5a](C[5,5a]C[5a,6a]B[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C){1|H<1>,5|C<3>}	131.9410	0.000	1	131.9410	0.000	1	130.7172	10.918	13	133.9165	8.909	134	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:N[5a]-3:	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C)	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C){1|H<1>,1|O<1>,4|C<3>}	135.2365	0.056	2	135.5123	0.230	3	130.7172	10.918	13	133.9165	8.909	134	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:N[5a]-3:	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C)	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C){2|H<1>,4|C<3>}	136.0640	0.000	1	135.5123	0.230	3	130.7172	10.918	13	133.9165	8.909	134	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:N[5a]-3:	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C[6a])	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C[6a]){1|H<1>,1|O<1>,6|C<3>}	134.1580	0.000	1	134.1580	0.000	1	130.7172	10.918	13	133.9165	8.909	134	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:N[5a]-3:	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,5a](C[5,5a]C[5a,6a]Si[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C)	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,5a](C[5,5a]C[5a,6a]Si[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C){1|C<4>,1|H<1>,5|C<3>}	128.3060	0.000	1	128.2796	0.211	5	130.7172	10.918	13	133.9165	8.909	134	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:N[5a]-3:	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,5a](C[5,5a]C[5a,6a]Si[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C)	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|Si<4>,1|C<2>,1|N<3>,2|C<3>}	C[5,5a](C[5,5a]C[5a,6a]Si[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C){1|H<1>,2|C<4>,4|C<3>}	128.4600	0.000	1	128.2796	0.211	5	130.7172	10.918	13	133.9165	8.909	134	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:N[5a]-3:	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,5a](C[5,5a]C[5a,6a]Si[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C)	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,5a](C[5,5a]C[5a,6a]Si[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C){1|H<1>,2|C<4>,4|C<3>}	128.2107	0.632	3	128.2796	0.211	5	130.7172	10.918	13	133.9165	8.909	134	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:N[5a]-3:	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,5a](C[5,5a]C[5a,6a]Si[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C[6a])	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,5a](C[5,5a]C[5a,6a]Si[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C[6a]){1|H<1>,2|C<4>,6|C<3>}	127.8540	0.000	2	127.8540	0.000	2	130.7172	10.918	13	133.9165	8.909	134	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:N[5a]-3:	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,5a](C[5,5a]C[5a,6a]Si[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]S)	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,5a](C[5,5a]C[5a,6a]Si[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]S){1|H<1>,2|C<4>,4|C<3>}	129.5810	0.000	1	129.5810	0.000	1	130.7172	10.918	13	133.9165	8.909	134	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a,6]C[5])(C[5a]N[5a,6]C)	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a,6]C[5])(C[5a]N[5a,6]C){1|H<1>,1|O<1>,4|C<3>}	132.6390	0.000	1	132.6390	0.000	1	132.8373	1.226	12	133.9165	8.909	134	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a]){1|H<1>,2|C<2>,5|C<3>}	134.2260	0.000	1	134.2260	0.000	1	132.8373	1.226	12	133.9165	8.909	134	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a]){1|O<1>,2|H<1>,5|C<3>}	133.1220	0.000	1	133.1220	0.000	1	132.8373	1.226	12	133.9165	8.909	134	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5a]C[6a]S[5a])	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5a]C[6a]S[5a]){1|H<1>,1|O<1>,5|C<3>}	133.4800	0.000	1	133.4800	0.000	1	132.8373	1.226	12	133.9165	8.909	134	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5a]N[5a]H)	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5a]N[5a]H){1|S<4>,3|C<3>,3|H<1>}	131.8870	0.310	2	131.8870	0.096	2	132.8373	1.226	12	133.9165	8.909	134	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5a]C[5a]H)	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5a]C[5a]H){1|Zn<4>,1|H<1>,4|C<3>}	132.2995	0.023	2	132.2995	0.001	2	132.8373	1.226	12	133.9165	8.909	134	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5a]N[5a]P)	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,1|P<4>,2|H<1>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5a]N[5a]P){1|O<1>,2|C<3>,2|H<1>}	133.6990	0.000	1	133.6990	0.000	1	132.8373	1.226	12	133.9165	8.909	134	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]S[5a]C[5])(C[5a]C[5a]H)	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|S<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]S[5a]C[5])(C[5a]C[5a]H){1|H<1>,4|C<3>}	131.6100	0.000	1	131.6100	0.000	1	132.8373	1.226	12	133.9165	8.909	134	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]O)(H)	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]S[5a]C[5])(C[5a]C[5a]H)	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]O)(H){1|O<2>,4|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]S[5a]C[5])(C[5a]C[5a]H){2|H<1>,3|C<3>}	131.7850	0.000	1	131.7850	0.000	1	132.8373	1.226	12	133.9165	8.909	134	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]N[5])(C[5a]C[5a]C[6a])	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]N[5])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	135.1140	0.000	1	135.1140	0.000	1	132.8373	1.226	12	133.9165	8.909	134	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5a]-3:N[5a]-3:	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]Cl)(H)	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]C[5])(N[5a]C[5a]C[6a])	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,2|N<2>,3|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]C[5])(N[5a]C[5a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	134.4240	0.000	1	134.4240	0.000	1	134.7090	0.019	7	133.9165	8.909	134	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5a]-3:N[5a]-3:	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(N[5a]C[5a]N)	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(N[5a]C[5a]N){1|H<1>,1|O<1>,4|C<3>}	134.7408	0.054	5	134.7408	0.003	5	134.7090	0.019	7	133.9165	8.909	134	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5a]-3:N[5a]-3:	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(N[5a]C[6a]N[5a])	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(N[5a]C[6a]N[5a]){1|C<4>,2|H<1>,5|C<3>}	134.8350	0.000	1	134.8350	0.000	1	134.7090	0.019	7	133.9165	8.909	134	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5a]-3:C[5a]-3:	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,6]C[5a])(C[5a]C[6a]N[5a])	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,6]C[5a])(C[5a]C[6a]N[5a]){1|H<1>,7|C<3>}	133.4690	0.291	2	133.4690	0.085	2	132.0894	1.218	29	133.9165	8.909	134	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5a]-3:C[5a]-3:	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C[6a])	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C[6a]){3|H<1>,6|C<3>}	131.3960	0.000	1	131.3960	0.000	1	132.0894	1.218	29	133.9165	8.909	134	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5a]-3:C[5a]-3:	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]C[5])(C[5a]C[5a]C)	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]C[5])(C[5a]C[5a]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	133.1460	0.000	1	133.1460	0.000	1	132.0894	1.218	29	133.9165	8.909	134	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5a]-3:C[5a]-3:	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	133.0760	0.386	2	133.0760	0.149	2	132.0894	1.218	29	133.9165	8.909	134	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5a]-3:C[5a]-3:	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]C[5])(C[5a]C[5a]H)	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]C[5])(C[5a]C[5a]H){1|O<1>,2|C<3>,3|H<1>}	133.2280	0.000	1	133.1425	0.015	2	132.0894	1.218	29	133.9165	8.909	134	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5a]-3:C[5a]-3:	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]C[5])(C[5a]C[5a]H)	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]C[5])(C[5a]C[5a]H){1|O<1>,2|H<1>,3|C<3>}	133.0570	0.000	1	133.1425	0.015	2	132.0894	1.218	29	133.9165	8.909	134	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5a]-3:C[5a]-3:	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a]){2|H<1>,2|O<1>,4|C<3>}	133.4350	0.000	1	133.4350	0.000	1	132.0894	1.218	29	133.9165	8.909	134	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5a]-3:C[5a]-3:	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]C[5])(C[5a]N[5a]H)	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]C[5])(C[5a]N[5a]H){1|C<4>,2|C<3>,3|H<1>}	131.5501	0.520	10	131.5501	0.271	10	132.0894	1.218	29	133.9165	8.909	134	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5a]-3:C[5a]-3:	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]N[5a]C[5])(C[5a]C[5a]H)	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]N[5a]C[5])(C[5a]C[5a]H){1|O<2>,2|H<1>,3|C<3>}	131.7150	0.000	1	131.7150	0.000	1	132.0894	1.218	29	133.9165	8.909	134	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5a]-3:C[5a]-3:	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]N[5a]C[5])(C[5a]C[6a]N[5a])	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|N<2>,3|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]N[5a]C[5])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,5|C<3>}	132.8363	1.020	3	132.8363	1.041	3	132.0894	1.218	29	133.9165	8.909	134	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5a]-3:C[5a]-3:	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]N[5a]C[5])(C[5a]N[5a]C)	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,2|N<2>,4|H<1>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]N[5a]C[5])(C[5a]N[5a]C){2|C<3>,3|H<1>}	132.1210	0.017	4	132.1210	0.000	4	132.0894	1.218	29	133.9165	8.909	134	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5a]-3:C[5a]-3:	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]S[5])(C[5a]C[5a]H)	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]S[5])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	129.5620	0.000	1	129.5165	0.004	2	132.0894	1.218	29	133.9165	8.909	134	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5a]-3:C[5a]-3:	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]S[5])(C[5a]C[5a]H)	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]S[5])(C[5a]C[5a]H){1|H<1>,2|O<1>,4|C<3>}	129.4710	0.000	1	129.5165	0.004	2	132.0894	1.218	29	133.9165	8.909	134	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5,6a]-3:C[5,5a]-3:	C[5,6a](C[5,5a]C[5a,5a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]C[5])	C[5,6a](C[5,5a]C[5a,5a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]C[5]){1|Zn<5>,1|H<1>,6|C<3>}	131.6630	0.059	2	131.6630	0.004	2	131.9737	0.228	7	133.9165	8.909	134	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5,6a]-3:C[5,5a]-3:	C[5,6a](C[5,5a]C[5a,5a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]S[5a]C[5])	C[5,6a](C[5,5a]C[5a,5a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]S[5a]C[5]){1|C<2>,1|H<1>,5|C<3>}	132.4820	0.000	2	132.4820	0.000	2	131.9737	0.228	7	133.9165	8.909	134	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5,6a]-3:C[5,5a]-3:	C[5,6a](C[5,5a]C[5a,5a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,5a]C[5a,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]S[5a]C[5])	C[5,6a](C[5,5a]C[5a,5a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>,2|S<2>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5,5a](C[5a,5a]C[5a,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]S[5a]C[5]){1|H<1>,2|C<4>,4|C<3>}	132.0120	0.655	2	131.8420	0.301	3	131.9737	0.228	7	133.9165	8.909	134	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5,6a]-3:C[5,5a]-3:	C[5,6a](C[5,5a]C[5a,5a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,5a]C[5a,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]S[5a]C[5])	C[5,6a](C[5,5a]C[5a,5a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,2|S<2>,3|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,5a](C[5a,5a]C[5a,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]S[5a]C[5]){1|H<1>,5|C<3>}	131.5020	0.000	1	131.8420	0.301	3	131.9737	0.228	7	133.9165	8.909	134	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,6a]-3:C[5,5a]-3:	C[5,6a](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5,5]N[5a])	C[5,6a](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5,5]N[5a]){1|S<4>,2|H<1>,6|C<3>}	133.2510	0.000	1	133.2510	0.000	1	132.0203	5.053	4	133.9165	8.909	134	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,6a]-3:C[5,5a]-3:	C[5,6a](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a,6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])	C[5,6a](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5]){2|H<1>,6|C<3>}	131.2450	0.000	1	131.2450	0.000	1	132.0203	5.053	4	133.9165	8.909	134	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,6a]-3:C[5,5a]-3:	C[5,6a](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]C[5])	C[5,6a](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]C[5]){1|C<4>,3|H<1>,4|C<3>}	134.3360	0.000	1	134.3360	0.000	1	132.0203	5.053	4	133.9165	8.909	134	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,6a]-3:C[5,5a]-3:	C[5,6a](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]S[5])	C[5,6a](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]S[5]){2|H<1>,2|O<1>,5|C<3>}	129.2490	0.000	1	129.2490	0.000	1	132.0203	5.053	4	133.9165	8.909	134	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5a,6]-3:C[5,6a]-3:C[5a]-3:	C[5,6a](C[5,5a]N[5,5a,6]C[5a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,5a](N[5,5a,6]C[5a,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]H)	C[5,6a](C[5,5a]N[5,5a,6]C[5a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,5a](N[5,5a,6]C[5a,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]H){1|B<3>,1|C<4>,2|H<1>,3|C<3>}	131.6950	0.000	1	131.6950	0.000	1	131.6950	0.000	1	133.9165	8.909	134	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5,6a](C[5,6a,6a]C[6,6a,6a]C[5,6a])(C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,5a])(C[6a]C[6,6a]H)(H)	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5a]N[5a]H)	C[5,6a](C[5,6a,6a]C[6,6a,6a]C[5,6a])(C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,5a])(C[6a]C[6,6a]H)(H){5|C<3>}	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5a]N[5a]H){3|C<3>,3|H<1>}	137.5650	0.468	2	137.5650	0.219	2	137.5650	0.219	2	133.9165	8.909	134	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5a]-3:N[5a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,5a])(C[6a]C[5,6a]H)(H)	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]B[5a]C[6a])	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]H){1|B<3>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,5a])(C[6a]C[5,6a]H)(H){1|N<3>,4|C<3>}	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]B[5a]C[6a]){1|H<1>,1|I<1>,6|C<3>}	141.2495	0.473	2	141.2495	0.224	2	137.8277	1.331	36	133.9165	8.909	134	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5a]-3:N[5a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]As[5a]C[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]H){1|As<2>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]As[5a]C[6a]){1|H<1>,6|C<3>}	137.1498	0.826	8	137.1498	0.682	8	137.8277	1.331	36	133.9165	8.909	134	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5a]-3:N[5a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]B[5a]C[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]H){1|B<3>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]B[5a]C[6a]){1|Br<1>,1|H<1>,6|C<3>}	138.0075	0.405	4	137.7731	0.577	26	137.8277	1.331	36	133.9165	8.909	134	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5a]-3:N[5a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]B[5a]C[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]H){1|B<3>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]B[5a]C[6a]){1|H<1>,1|I<1>,6|C<3>}	138.0018	0.586	4	137.7731	0.577	26	137.8277	1.331	36	133.9165	8.909	134	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5a]-3:N[5a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]B[5a]C[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]H){1|B<3>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]B[5a]C[6a]){1|H<1>,1|N<3>,6|C<3>}	137.9214	0.586	14	137.7731	0.577	26	137.8277	1.331	36	133.9165	8.909	134	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5a]-3:N[5a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]B[5a]C[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]H){1|B<3>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]B[5a]C[6a]){1|H<1>,1|S<1>,6|C<3>}	137.7225	0.388	2	137.7731	0.577	26	137.8277	1.331	36	133.9165	8.909	134	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5a]-3:N[5a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]B[5a]C[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]H){1|B<4>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]B[5a]C[6a]){2|Br<1>,1|H<1>,6|C<3>}	135.8600	0.474	2	137.7731	0.577	26	137.8277	1.331	36	133.9165	8.909	134	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5,6a]-3:C[5,5a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5a,5a]C[5,5a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]S[5a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5a,5a]C[5,5a])(C[6a]C[6a]H){1|H<1>,1|S<2>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]S[5a]){1|H<1>,6|C<3>}	136.2990	0.000	1	136.2990	0.000	1	136.2990	0.000	1	133.9165	8.909	134	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[5,5a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5a]C[5,5a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,5a](C[5,5a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]S[5a]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5a]C[5,5a]2)(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,5a](C[5,5a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]S[5a]C[5]){1|H<1>,6|C<3>}	132.1690	0.082	2	132.1690	0.007	2	132.1690	0.007	2	133.9165	8.909	134	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:2:	3:3:2:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:O-2:	C[5,6a]-3:C[5,5a]-3:S[5a]-2:	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(OC)	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(S[5a]C[5a])	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O){1|O<2>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(OC){1|S<2>,3|C<4>,4|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(S[5a]C[5a]){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	131.1975	0.491	2	131.1975	0.242	2	131.1975	0.242	2	131.1975	0.242	2	133.3176	8.763	185	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:2:2:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:S-2:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]S)	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(SC)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]S){1|C<4>,1|N<2>,1|S<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(SC){4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	134.9350	1.263	2	134.9350	1.595	2	134.4757	1.430	3	134.4757	1.430	3	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:2:2:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:S-2:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]S)	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(SC)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]S){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(SC){4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	133.5570	0.000	1	133.5570	0.000	1	134.4757	1.430	3	134.4757	1.430	3	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:2:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:C-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]C)	C[6a](C[5,6a]C[5,6a]2)(N[6a]C[6a])(COO)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]C){1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(N[6a]C[6a])(COO){1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,5|C<3>}	133.5060	0.000	1	133.5060	0.000	1	134.8351	0.407	10	134.4687	1.843	11	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:2:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:C-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]C)	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(CNO)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]C){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(CNO){4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,5|C<3>}	134.8077	0.680	4	134.8077	0.462	4	134.8351	0.407	10	134.4687	1.843	11	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:2:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:C-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]C)	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(COO)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]C){1|C<4>,1|N<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(COO){4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,5|C<3>}	135.1720	0.000	1	135.1720	0.000	1	134.8351	0.407	10	134.4687	1.843	11	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:2:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:C-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]C)	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(COO)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]C){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(COO){4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,5|C<3>}	135.1105	0.174	4	135.1105	0.030	4	134.8351	0.407	10	134.4687	1.843	11	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:2:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])	C[6a](C[5,6a]C[5,6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a]){1|H<1>,1|O<2>,7|C<3>}	C[6a](C[5,6a]C[5,6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|H<1>,4|C<3>}	130.8050	0.000	1	130.8050	0.000	1	130.8050	0.000	1	134.4687	1.843	11	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:2:4:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:C-4:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]C)	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(CC[6a]HH)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]C){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(CC[6a]HH){4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	133.2940	0.255	2	133.2940	0.065	2	133.1428	0.268	4	133.1428	0.268	4	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:2:4:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:C-4:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]C)	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(CH3)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]C){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(CH3){4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	132.9915	0.804	2	132.9915	0.646	2	133.1428	0.268	4	133.1428	0.268	4	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(N[6a]N[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(N[6a]N[6a]){1|H<1>,5|C<3>}	135.3950	0.000	1	135.3950	0.000	1	135.1500	0.295	22	131.4163	6.623	94	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[6a]C[5a,6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[6a]C[5a,6a]){1|H<1>,5|C<3>}	134.7635	0.407	2	134.7635	0.165	2	135.1500	0.295	22	131.4163	6.623	94	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,1|N<2>,4|C<3>}	134.1165	0.351	2	135.0334	0.319	12	135.1500	0.295	22	131.4163	6.623	94	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,5|C<3>}	135.2294	0.400	8	135.0334	0.319	12	135.1500	0.295	22	131.4163	6.623	94	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,1|N<2>,4|C<3>}	135.1665	0.493	2	135.0334	0.319	12	135.1500	0.295	22	131.4163	6.623	94	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	135.0977	0.463	3	135.1248	0.146	4	135.1500	0.295	22	131.4163	6.623	94	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a]){2|H<1>,4|C<3>}	135.2060	0.000	1	135.1248	0.146	4	135.1500	0.295	22	131.4163	6.623	94	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[6a]N[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H){1|H<1>,2|N<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[6a]N[6a]){1|H<1>,4|C<3>}	135.8263	0.310	3	135.8263	0.096	3	135.1500	0.295	22	131.4163	6.623	94	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a,6a]N[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a,6a]N[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|O<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H){1|N<2>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(N[6a]C[6a]){2|H<1>,5|C<3>}	130.1410	0.000	1	130.1410	0.000	1	130.1410	0.000	1	131.4163	6.623	94	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]N[6a])(N[6a]C[6a,6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]N[6a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	129.8246	0.539	20	129.8495	0.266	24	130.2563	0.766	57	131.4163	6.623	94	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]N[6a])(N[6a]C[6a,6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]N[6a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	130.2870	0.341	2	129.8495	0.266	24	130.2563	0.766	57	131.4163	6.623	94	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]N[6a])(N[6a]C[6a,6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]N[6a])(N[6a]C[6a,6a]){1|H<1>,2|C<4>,4|C<3>}	129.6615	0.111	2	129.8495	0.266	24	130.2563	0.766	57	131.4163	6.623	94	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]N[6a])(N[6a]C[6a,6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]N[6a])(N[6a]C[6a,6a]){1|H<1>,6|C<3>}	130.9590	0.000	1	130.9590	0.000	1	130.2563	0.766	57	131.4163	6.623	94	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|N<2>,3|C<3>,4|H<1>}	130.6095	0.457	2	130.6095	0.209	2	130.2563	0.766	57	131.4163	6.623	94	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6,6a]C[5])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6,6a]C[5])(N[6a]C[6a]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	131.2170	0.000	1	131.2170	0.000	1	130.2563	0.766	57	131.4163	6.623	94	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[5a,6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[5a,6a]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	130.6674	0.200	5	130.4197	0.400	6	130.2563	0.766	57	131.4163	6.623	94	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[5a,6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[5a,6a]){1|H<1>,1|N<3>,5|C<3>}	129.1810	0.000	1	130.4197	0.400	6	130.2563	0.766	57	131.4163	6.623	94	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a]){1|H<1>,1|O<1>,5|C<3>}	130.9460	0.799	2	130.5147	0.310	7	130.2563	0.766	57	131.4163	6.623	94	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a]){3|H<1>,5|C<3>}	130.3422	0.418	5	130.5147	0.310	7	130.2563	0.766	57	131.4163	6.623	94	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	130.5560	0.000	1	131.3928	0.333	4	130.2563	0.766	57	131.4163	6.623	94	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|N<2>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|O<1>,3|C<3>,3|H<1>}	131.5590	0.000	1	131.3928	0.333	4	130.2563	0.766	57	131.4163	6.623	94	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|O<1>,3|C<3>,3|H<1>}	131.7280	0.215	2	131.3928	0.333	4	130.2563	0.766	57	131.4163	6.623	94	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]N[6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]N[6a]){1|H<1>,1|O<1>,4|C<3>}	131.1270	0.167	2	131.1270	0.028	2	130.2563	0.766	57	131.4163	6.623	94	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(N[6a]C[5,6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Cl<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(N[6a]C[5,6a]){1|H<1>,1|O<1>,4|C<3>}	131.0260	0.000	1	131.0260	0.000	1	130.2563	0.766	57	131.4163	6.623	94	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(N[6a]C[6a,6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(N[6a]C[6a,6a]){1|H<1>,1|O<1>,4|C<3>}	130.3670	0.596	5	130.4439	0.322	8	130.2563	0.766	57	131.4163	6.623	94	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(N[6a]C[6a,6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(N[6a]C[6a,6a]){3|H<1>,4|C<3>}	130.4700	0.000	1	130.4439	0.322	8	130.2563	0.766	57	131.4163	6.623	94	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(N[6a]C[6a,6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(N[6a]C[6a,6a]){1|H<1>,6|C<3>}	130.0170	0.000	1	130.4439	0.322	8	130.2563	0.766	57	131.4163	6.623	94	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(N[6a]C[6a,6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<2>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(N[6a]C[6a,6a]){1|H<1>,1|N<2>,4|C<3>}	131.2290	0.000	1	130.4439	0.322	8	130.2563	0.766	57	131.4163	6.623	94	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(N[6a]C[6a]){1|O<1>,3|H<1>,4|C<3>}	126.3020	0.000	1	126.3020	0.000	1	130.2563	0.766	57	131.4163	6.623	94	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:O[6a]-2:	C[5,6a](C[5,6a]C[5,6a]O[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(O[6a]C[6a,6a])	C[5,6a](C[5,6a]C[5,6a]O[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(O[6a]C[6a,6a]){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	132.3550	0.000	1	132.3550	0.000	1	132.0292	0.190	4	131.4163	6.623	94	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:O[6a]-2:	C[5,6a](C[5,6a]C[5,6a]O[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(O[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]O[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(O[6a]C[6a]){1|O<1>,3|H<1>,4|C<3>}	131.8230	0.000	1	131.8230	0.000	1	132.0292	0.190	4	131.4163	6.623	94	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:O[6a]-2:	C[5,6a](C[5,6a]C[5,6a]O[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(O[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]O[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H){2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(O[6a]C[6a]){1|H<1>,1|O<1>,5|C<3>}	132.4250	0.000	1	132.4250	0.000	1	132.0292	0.190	4	131.4163	6.623	94	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:O[6a]-2:	C[5,6a](C[5,6a]C[5,6a]O[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(O[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]O[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H){2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(O[6a]C[6a]){1|H<1>,1|O<1>,5|C<3>}	131.5140	0.000	1	131.5140	0.000	1	132.0292	0.190	4	131.4163	6.623	94	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]N[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])	C[5,6a](C[5,6a]N[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[6a]C[5])(N[6a]C[6a,6a]){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	129.2250	0.000	1	129.2250	0.000	1	125.3512	7.010	4	131.4163	6.623	94	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]N[5,6a]N[6a])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[6a]Se[5])(N[6a]C[6a,6a])	C[5,6a](C[5,6a]N[5,6a]N[6a])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[6a]Se[5])(N[6a]C[6a,6a]){1|H<1>,1|O<1>,4|C<3>}	124.0600	0.715	3	124.0600	0.511	3	125.3512	7.010	4	131.4163	6.623	94	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:I-1:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]I)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(I)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]I){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(I){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|H<1>,1|O<1>,2|I<1>,3|C<3>}	134.0120	0.000	1	134.0120	0.000	1	134.0120	0.000	1	131.4163	6.623	94	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:N[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6,6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6,6a]C[6,6a]C[6])(H){1|N<2>,1|O<2>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a]){1|C<4>,3|H<1>,4|C<3>}	131.5960	0.000	1	131.5960	0.000	1	131.5960	0.000	1	131.4163	6.623	94	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:N[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a]){1|C<4>,3|H<1>,4|C<3>}	132.1300	0.000	1	132.4868	0.076	4	132.4868	0.076	4	131.4163	6.623	94	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:N[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a]){4|C<3>,4|H<1>}	132.6057	0.169	3	132.4868	0.076	4	132.4868	0.076	4	131.4163	6.623	94	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,5,6a]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	135.9740	0.119	2	135.6617	0.605	30	135.6617	0.605	30	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,5,6a]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	135.7315	0.101	2	135.6617	0.605	30	135.6617	0.605	30	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,5,6a]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	135.6323	0.832	26	135.6617	0.605	30	135.6617	0.605	30	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6,6a]C[5,6a])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(C[5,6a]C[5,6,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6,6a]C[5,6a])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(C[5,6a]C[5,6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	135.6860	0.167	2	135.6860	0.028	2	135.6860	0.028	2	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6,6a]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|F<1>,2|H<1>,4|C<3>}	134.0895	0.193	2	133.9526	0.344	14	133.9526	0.344	14	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6,6a]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	133.8474	0.324	5	133.9526	0.344	14	133.9526	0.344	14	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	134.4258	0.307	5	133.9526	0.344	14	133.9526	0.344	14	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6,6a]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	132.8955	0.432	2	133.9526	0.344	14	133.9526	0.344	14	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[5,6a,6a]C[6a])(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[5,6a,6a]C[6a])(H){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	133.4303	0.531	7	133.4303	0.282	7	133.7623	1.363	11	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(H){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	134.3433	1.808	4	134.3433	3.270	4	133.7623	1.363	11	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]Cl)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]Cl){2|Cl<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]Cl){3|Cl<1>,4|C<3>}	134.9280	0.000	1	134.9280	0.000	1	134.9280	0.000	1	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(C[5,6a]C[5,6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(C[5,6a]C[5,6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	137.4560	0.028	2	137.4560	0.001	2	137.4560	0.001	2	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	133.4630	0.000	1	133.4630	0.000	1	132.5310	1.737	2	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[5a,6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[5a,6a]H)(H){5|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	131.5990	0.000	1	131.5990	0.000	1	132.5310	1.737	2	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]2){1|H<1>,8|C<3>}	136.0360	0.000	1	136.0360	0.000	1	136.0360	0.000	1	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a]){2|H<1>,7|C<3>}	134.9990	0.000	1	134.9990	0.000	1	134.9990	0.000	1	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])	C[5,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a]){1|H<1>,8|C<3>}	136.5160	0.044	2	136.5160	0.002	2	136.0208	2.408	188	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[5,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|H<1>,8|C<3>}	136.9105	0.206	4	136.9105	0.043	4	136.0208	2.408	188	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	135.7378	0.471	20	135.7378	0.222	20	136.0208	2.408	188	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[5,6a]H)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	138.7888	0.776	6	138.7888	0.602	6	136.0208	2.408	188	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<2>,1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]C)(H){1|C<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	134.6180	0.000	1	134.6180	0.000	1	136.0208	2.408	188	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,2|N<2>,5|C<3>}	136.4180	0.074	2	136.2745	0.045	4	136.0208	2.408	188	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,3|N<2>,4|C<3>}	136.1310	0.215	2	136.2745	0.045	4	136.0208	2.408	188	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]C)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]C){1|H<1>,1|N<2>,4|C<3>}	135.8793	0.489	4	135.8793	0.239	4	136.0208	2.408	188	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]C[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]C[6a]){1|H<1>,8|C<3>}	135.5618	0.271	6	135.5618	0.073	6	136.0208	2.408	188	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a]){1|H<1>,1|S<2>,7|C<3>}	125.1370	0.000	1	129.5815	39.507	2	136.0208	2.408	188	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a]){1|H<1>,8|C<3>}	134.0260	0.000	1	129.5815	39.507	2	136.0208	2.408	188	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[5a]N[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[5a]N[6a]){1|H<1>,1|N<2>,1|S<2>,5|C<3>}	136.3930	0.000	1	136.3930	0.000	1	136.0208	2.408	188	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6,6a]C[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6,6a]C[6a]){1|H<1>,8|C<3>}	135.6037	0.263	6	135.6037	0.069	6	136.0208	2.408	188	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|H<1>,8|C<3>}	135.5445	0.377	2	135.5445	0.142	2	136.0208	2.408	188	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,8|C<3>}	135.9737	0.157	10	135.8723	0.081	28	136.0208	2.408	188	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|Ir<6>,1|H<1>,7|C<3>}	135.7015	0.385	2	135.8723	0.081	28	136.0208	2.408	188	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,6|C<3>}	135.6240	0.000	1	135.8723	0.081	28	136.0208	2.408	188	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|Si<4>,1|H<1>,7|C<3>}	135.8705	0.268	2	135.8723	0.081	28	136.0208	2.408	188	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	135.8399	0.356	13	135.8723	0.081	28	136.0208	2.408	188	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){3|H<1>,4|C<3>}	136.0920	0.000	1	136.0920	0.000	1	136.0208	2.408	188	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|F<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	136.5850	0.000	1	136.0999	3.426	73	136.0208	2.408	188	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	134.5810	0.000	1	136.0999	3.426	73	136.0208	2.408	188	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	135.3170	0.000	1	136.0999	3.426	73	136.0208	2.408	188	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	135.0854	0.919	47	136.0999	3.426	73	136.0208	2.408	188	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	136.7000	2.234	4	136.0999	3.426	73	136.0208	2.408	188	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){5|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	138.5788	1.134	19	136.0999	3.426	73	136.0208	2.408	188	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,1|N<2>,6|C<3>}	136.2401	0.820	9	136.1985	0.548	11	136.0208	2.408	188	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,2|N<2>,5|C<3>}	136.0115	0.091	2	136.1985	0.548	11	136.0208	2.408	188	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[5a]N[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[5a]N[6a]){1|H<1>,1|N<3>,2|N<2>,4|C<3>}	136.3765	0.960	2	136.3765	0.921	2	136.0208	2.408	188	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]C)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]C){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	136.1340	0.208	4	136.1570	0.049	8	136.0208	2.408	188	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]C)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]C){1|H<1>,1|N<2>,4|C<3>}	136.1907	0.320	3	136.1570	0.049	8	136.0208	2.408	188	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]C)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]C){1|H<1>,5|C<3>}	136.1480	0.000	1	136.1570	0.049	8	136.0208	2.408	188	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]S)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]S){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	136.5650	0.000	1	136.5650	0.000	1	136.0208	2.408	188	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]H){1|H<1>,5|C<3>}	135.2750	0.000	1	135.2750	0.000	1	136.0208	2.408	188	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,6|C<3>}	135.9470	0.000	1	135.9470	0.000	1	136.0208	2.408	188	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	135.6890	0.000	1	135.6890	0.000	1	136.0208	2.408	188	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	135.0530	0.646	2	135.0530	0.418	2	136.0208	2.408	188	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]O[6a]O)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]O[6a]O)(H){4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	137.2910	0.000	1	137.2910	0.000	1	136.0208	2.408	188	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5a,6a]C[5,6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[5,6a]C[5,6a]2){1|H<1>,8|C<3>}	134.8340	0.000	1	134.8340	0.000	1	134.8340	0.000	1	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a]){2|H<1>,7|C<3>}	136.6490	0.000	1	137.1485	0.102	6	137.1485	0.102	6	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a]){3|H<1>,6|C<3>}	137.2484	0.230	5	137.1485	0.102	6	137.1485	0.102	6	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[4,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[4,6a]H)	C[6a](C[4,6a]C[4,6a]C[4])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[4,6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[4,6a]C[4,6a]C[4])(C[5,6a]C[5,6a]2)(H){2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	129.6140	0.000	1	129.6140	0.000	1	129.6140	0.000	1	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]2)2(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H){2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]2)2(H){2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	130.3925	0.392	4	130.3925	0.154	4	129.4841	3.915	41	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H){7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	132.0380	0.000	1	132.0380	0.000	1	129.4841	3.915	41	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H){1|C<4>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){2|C<4>,2|H<1>,4|C<3>}	129.7208	0.602	4	129.7208	0.363	4	129.4841	3.915	41	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H){3|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){2|C<4>,2|H<1>,4|C<3>}	130.3460	0.000	1	130.3460	0.000	1	129.4841	3.915	41	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|C<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H){1|C<2>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,3|C<3>,3|H<1>}	130.5850	0.204	2	130.3427	1.082	23	129.4841	3.915	41	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H){2|C<4>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	129.3597	0.454	4	130.3427	1.082	23	129.4841	3.915	41	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H){1|C<4>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	130.3680	0.887	2	130.3427	1.082	23	129.4841	3.915	41	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H){3|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	130.5030	0.000	1	130.3427	1.082	23	129.4841	3.915	41	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H){1|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	131.8870	0.000	1	130.3427	1.082	23	129.4841	3.915	41	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H){7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	130.9060	0.643	2	130.3427	1.082	23	129.4841	3.915	41	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|P<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H){1|P<2>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|P<2>,3|C<3>,3|H<1>}	129.5215	0.518	2	130.3427	1.082	23	129.4841	3.915	41	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H){1|C<4>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	130.3530	0.000	1	130.3427	1.082	23	129.4841	3.915	41	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H){3|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	130.5300	0.334	2	130.3427	1.082	23	129.4841	3.915	41	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H){1|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	130.5010	0.298	2	130.3427	1.082	23	129.4841	3.915	41	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H){7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	130.7190	2.034	4	130.3427	1.082	23	129.4841	3.915	41	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[5,6a]H){1|P<4>,1|S<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[5,6a]C[5,6a]2)(H){1|P<4>,1|S<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|S<1>,3|H<1>,4|C<3>}	127.0675	0.228	2	127.0675	0.052	2	129.4841	3.915	41	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Se[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]Se[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Se[5])(C[6a]C[5,6a]H){1|Se<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]Se[5])(C[5,6a]C[5,6a]2)(H){1|Se<2>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H){3|C<3>,3|H<1>}	126.8235	0.166	2	126.8235	0.028	2	129.4841	3.915	41	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H){1|Si<4>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[5,6a]C[5,6a]2)(H){1|Si<4>,1|C<4>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	125.0190	0.492	2	125.0875	0.087	4	129.4841	3.915	41	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H){1|Si<4>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[5,6a]C[5,6a]2)(H){1|Si<4>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	125.1350	0.000	1	125.0875	0.087	4	129.4841	3.915	41	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H){1|Si<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[5,6a]C[5,6a]2)(H){1|Si<4>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	125.1770	0.000	1	125.0875	0.087	4	129.4841	3.915	41	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]Br){1|Br<1>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(Br){1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]Br){1|Br<1>,1|O<1>,2|H<1>,3|C<3>}	134.9405	0.077	2	134.9405	0.006	2	134.9882	0.076	4	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]Br){1|C<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(Br){1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N){1|Br<1>,1|C<2>,2|H<1>,3|C<3>}	135.0360	0.461	2	135.0360	0.213	2	134.9882	0.076	4	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]Cl)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]Cl){3|Cl<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]Cl){2|Cl<1>,5|C<3>}	132.9570	0.000	1	132.9570	0.000	1	132.2380	1.802	4	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]S)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]Cl){2|Cl<1>,1|S<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]S){2|Cl<1>,5|C<3>}	131.9983	1.536	3	131.9983	2.358	3	132.2380	1.802	4	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]B[5,5a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]F)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]B[5,5a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]F)	C[5,6a](C[5,6a]B[5,5a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]F){1|N<3>,1|O<2>,3|C<3>,3|F<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]F)(F){1|B<4>,1|F<1>,3|C<3>}	C[5,6a](C[5,6a]B[5,5a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]F){1|N<3>,1|O<2>,3|C<3>,3|F<1>}	130.9140	0.280	2	130.9140	0.078	2	131.0921	0.875	18	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,5]C[6a])(C[6a]C[6a]F)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,5]C[6a])(C[6a]C[6a]F)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,5]C[6a])(C[6a]C[6a]F){1|N<3>,3|F<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]F)(F){1|B<4>,1|F<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,5]C[6a])(C[6a]C[6a]F){1|N<3>,3|F<1>,4|C<3>}	130.5650	0.378	4	130.5650	0.143	4	131.0921	0.875	18	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,6]C[6a])(C[6a]C[6a]F)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,6]C[6a])(C[6a]C[6a]F)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,6]C[6a])(C[6a]C[6a]F){2|N<3>,3|C<3>,3|F<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]F)(F){1|B<4>,1|F<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,6]C[6a])(C[6a]C[6a]F){2|N<3>,3|C<3>,3|F<1>}	131.5170	0.519	4	131.5170	0.269	4	131.0921	0.875	18	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]F)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]F)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]F){1|O<3>,3|F<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]F)(F){1|B<4>,1|F<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]F){1|O<3>,3|F<1>,4|C<3>}	130.5265	0.492	4	130.6138	0.252	6	131.0921	0.875	18	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]F)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]F)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]F){3|F<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]F)(F){1|B<3>,1|F<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]F){3|F<1>,4|C<3>}	130.7885	0.667	2	130.6138	0.252	6	131.0921	0.875	18	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]F)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]F)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]F){1|O<1>,1|O<2>,2|F<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]F)(F){1|F<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]F){1|O<1>,3|C<3>,3|F<1>}	131.8070	0.000	1	132.9095	2.431	2	131.0921	0.875	18	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]F)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]F)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]F){1|O<1>,3|C<3>,3|F<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]F)(F){1|F<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]F){1|O<1>,1|O<2>,2|F<1>,3|C<3>}	134.0120	0.000	1	132.9095	2.431	2	131.0921	0.875	18	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	130.5810	0.684	2	130.8726	0.297	28	130.8726	0.297	28	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	131.4805	0.052	2	130.8726	0.297	28	130.8726	0.297	28	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	130.8463	0.536	24	130.8726	0.297	28	130.8726	0.297	28	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]F)(H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|F<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	130.0160	0.402	2	130.0160	0.161	2	130.7486	0.256	16	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C)	C[5,6a](C[5,6a]C[5,6,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<2>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C){1|C<4>,1|H<1>,6|C<3>}	130.8560	0.000	1	130.8560	0.000	1	130.7486	0.256	16	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	130.4500	0.865	2	130.8531	0.205	13	130.7486	0.256	16	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	130.6830	0.302	5	130.8531	0.205	13	130.7486	0.256	16	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	131.1292	0.289	6	130.8531	0.205	13	130.7486	0.256	16	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a]){1|H<1>,8|C<3>}	131.5673	0.846	10	131.5673	0.716	10	131.5214	0.668	11	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a]){1|H<1>,8|C<3>}	131.0620	0.000	1	131.0620	0.000	1	131.5214	0.668	11	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	131.2290	0.000	1	131.2290	0.000	1	131.3343	0.867	128	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	131.7051	0.496	20	131.7051	0.246	20	131.3343	0.867	128	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C){1|H<1>,6|C<3>}	132.1920	0.000	1	132.1920	0.000	1	131.3343	0.867	128	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	130.6254	0.465	7	130.6254	0.216	7	131.3343	0.867	128	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	131.5043	0.527	6	131.5043	0.277	6	131.3343	0.867	128	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C){1|H<1>,6|C<3>}	132.7030	0.000	1	132.7030	0.000	1	131.3343	0.867	128	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	131.0325	0.499	4	131.0325	0.249	4	131.3343	0.867	128	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|H<1>,8|C<3>}	132.9777	0.539	3	132.9777	0.290	3	131.3343	0.867	128	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,7|C<3>}	132.3670	0.000	1	132.3670	0.000	1	131.3343	0.867	128	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){2|H<1>,5|C<3>}	128.3100	0.000	1	128.3100	0.000	1	131.3343	0.867	128	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	130.9780	0.000	1	131.3369	0.837	77	131.3343	0.867	128	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	131.4410	0.000	1	131.3369	0.837	77	131.3343	0.867	128	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	131.3153	0.926	73	131.3369	0.837	77	131.3343	0.867	128	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|N<3>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	132.3190	0.000	1	131.3369	0.837	77	131.3343	0.867	128	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	132.1850	0.000	1	131.3369	0.837	77	131.3343	0.867	128	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<2>,1|H<1>,5|C<3>}	130.4680	0.000	1	130.4680	0.000	1	131.3343	0.867	128	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	130.1305	0.568	2	130.1305	0.322	2	131.3343	0.867	128	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]O){2|H<1>,5|C<3>}	129.9153	0.154	3	129.9153	0.024	3	131.3343	0.867	128	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[5,6a]C[5,6a]C[6a]){1|H<1>,8|C<3>}	131.8867	0.583	6	131.8867	0.340	6	131.8867	0.340	6	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a]){2|H<1>,7|C<3>}	133.6845	0.623	4	133.6845	0.388	4	133.1466	0.851	8	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a]){2|H<1>,7|C<3>}	133.3065	0.223	2	133.3065	0.050	2	133.1466	0.851	8	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a]){2|H<1>,7|C<3>}	131.4220	0.000	1	131.9110	0.478	2	133.1466	0.851	8	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a]){2|H<1>,7|C<3>}	132.4000	0.000	1	131.9110	0.478	2	133.1466	0.851	8	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[3,5])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[3,5])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5]){1|Si<4>,1|H<1>,1|O<1>,3|C<4>,4|C<3>}	132.5090	0.000	1	132.5090	0.000	1	132.7371	1.223	29	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2){1|H<1>,3|C<4>,6|C<3>}	132.7330	0.000	1	132.6540	0.012	2	132.7371	1.223	29	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2){1|H<1>,4|C<4>,5|C<3>}	132.5750	0.000	1	132.6540	0.012	2	132.7371	1.223	29	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]S[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]S[5]){1|H<1>,2|C<4>,2|O<1>,6|C<3>}	132.1840	0.000	1	132.1840	0.000	1	132.7371	1.223	29	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5]){1|H<1>,2|O<1>,6|C<3>}	132.5270	0.000	1	132.5360	0.000	2	132.7371	1.223	29	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5]){1|Si<4>,1|H<1>,2|C<4>,2|O<1>,3|C<3>}	132.5450	0.000	1	132.5360	0.000	2	132.7371	1.223	29	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])2	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])2{1|H<1>,2|C<4>,2|O<2>,6|C<3>}	132.1337	0.148	3	132.7111	1.517	17	132.7371	1.223	29	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])2	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])2{2|C<4>,3|H<1>,6|C<3>}	131.7453	0.415	7	132.7111	1.517	17	132.7371	1.223	29	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])2	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])2{1|H<1>,4|C<4>,6|C<3>}	134.8200	0.000	1	132.7111	1.517	17	132.7371	1.223	29	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])2	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])2{1|H<1>,4|C<4>,6|C<3>}	132.8200	0.000	1	132.7111	1.517	17	132.7371	1.223	29	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])2	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])2{1|H<1>,5|C<3>,5|C<4>}	133.3890	0.000	1	132.7111	1.517	17	132.7371	1.223	29	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])2	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])2{1|H<1>,4|C<4>,6|C<3>}	134.1105	0.986	4	132.7111	1.517	17	132.7371	1.223	29	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[5]){1|H<1>,4|C<4>,6|C<3>}	133.7770	0.268	4	133.1254	2.177	5	132.7371	1.223	29	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[5]){1|H<1>,8|C<3>}	130.5190	0.000	1	133.1254	2.177	5	132.7371	1.223	29	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a]S[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]S[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]S[5]){1|H<1>,2|C<4>,2|O<1>,6|C<3>}	132.5880	0.000	1	132.5880	0.000	1	132.7371	1.223	29	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6,6a]C[6,6a]S[6])	C[5,6a](C[5,6a]C[5,6a]C[6,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|S<2>,2|O<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6,6a]C[6,6a]S[6]){1|C<4>,1|S<2>,2|H<1>,5|C<3>}	132.1010	0.000	1	132.1010	0.000	1	132.1010	0.000	1	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a,6a]C[6a,6a]2)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a,6a]C[6a,6a]2){1|H<1>,8|C<3>}	133.4240	0.000	1	133.0317	0.133	3	133.0317	0.133	3	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a,6a]C[6a,6a]2)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a,6a]C[6a,6a]2){2|H<1>,8|C<3>}	132.8355	0.186	2	133.0317	0.133	3	133.0317	0.133	3	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]B[5,5a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]B[5,5a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]B[5,5a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]B[5,5a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	128.1815	0.339	4	128.1815	0.115	4	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[3,5,5]C[6a])	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[3,5,5]C[6a]){1|O<2>,2|H<1>,3|C<3>,5|C<4>}	129.0710	0.000	1	129.0710	0.000	1	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[5,6a]H)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	128.6090	0.394	4	128.6090	0.156	4	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]As[5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]As[5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]As[5]C[6a])(C[6a]C[6a]H){1|Pd<4>,1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|As<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]As[5]C[6a])(C[6a]C[6a]H){1|Pd<4>,1|C<4>,3|C<3>,3|H<1>}	125.4710	0.457	2	125.7284	0.640	28	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]As[5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]As[5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]As[5]C[6a])(C[6a]C[6a]H){1|Pd<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|As<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]As[5]C[6a])(C[6a]C[6a]H){1|Pd<4>,3|H<1>,4|C<3>}	125.4490	0.235	2	125.7284	0.640	28	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]As[5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]As[5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]As[5]C[6a])(C[6a]C[6a]H){1|Pt<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|As<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]As[5]C[6a])(C[6a]C[6a]H){1|Pt<4>,3|H<1>,4|C<3>}	125.7380	0.744	18	125.7284	0.640	28	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]As[5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]As[5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]As[5]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|As<3>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]As[5]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	125.8785	1.198	6	125.7284	0.640	28	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]As[5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]As[5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]As[5]C[6a])(C[6a]C[6a]H){1|N<2>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]H)(H){1|As<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]As[5]C[6a])(C[6a]C[6a]H){1|N<2>,1|O<1>,3|C<3>,3|H<1>}	126.4495	0.115	2	126.7722	0.248	4	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]As[5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]As[5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]As[5]C[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]H)(H){1|As<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]As[5]C[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	127.0950	0.561	2	126.7722	0.248	4	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,5]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,5]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	128.5790	0.429	2	128.1430	0.190	6	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,5]C[6a])(C[6a]C[6a]H){1|N<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,5]C[6a])(C[6a]C[6a]H){1|N<4>,3|H<1>,4|C<3>}	127.9980	0.403	2	128.1430	0.190	6	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,5]C[6a])(C[6a]C[6a]H){1|P<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,5]C[6a])(C[6a]C[6a]H){1|P<4>,3|H<1>,4|C<3>}	127.8520	0.107	2	128.1430	0.190	6	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|P<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|P<4>,3|C<3>,3|H<1>}	127.5005	0.343	2	127.9837	0.129	22	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	128.0067	0.356	14	127.9837	0.129	22	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H){2|N<3>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H){2|N<3>,3|C<3>,3|H<1>}	128.0910	0.283	6	127.9837	0.129	22	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Br[5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Br[5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Br[5]C[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Br<2>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Br[5]C[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	127.3235	0.071	2	127.3235	0.005	2	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	130.5130	0.576	8	130.8330	0.380	14	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	131.2597	0.376	6	130.8330	0.380	14	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	130.5150	0.559	6	130.7318	0.325	12	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H){1|Ge<4>,1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H){1|Ge<4>,1|C<4>,3|C<3>,3|H<1>}	130.9105	0.234	2	130.7318	0.325	12	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	130.9677	0.680	4	130.7318	0.325	12	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	130.9520	1.024	2	130.9520	1.048	2	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|Br<1>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|Br<1>,2|H<1>,5|C<3>}	131.2335	0.671	2	131.7832	0.378	6	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|Br<1>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Br)(H){1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|Br<1>,2|H<1>,5|C<3>}	132.0580	0.422	4	131.7832	0.378	6	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	131.2353	0.387	4	131.2353	0.150	4	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6,6a]H){1|C<4>,2|H<1>,5|C<3>}	130.9630	0.000	1	130.9630	0.000	1	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a,6a]H){1|H<1>,2|O<2>,5|C<3>}	130.3835	0.097	2	130.5880	0.130	3	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a,6a]H){2|H<1>,6|C<3>}	130.9970	0.000	1	130.5880	0.130	3	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,8|C<3>}	132.5315	0.161	6	132.6553	0.104	9	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]2){1|H<1>,2|C<4>,7|C<3>}	132.6640	0.000	1	132.6553	0.104	9	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	133.0225	0.586	2	132.6553	0.104	9	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	130.3556	0.344	10	131.3035	0.530	253	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	131.2405	0.572	2	131.3035	0.530	253	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	130.5750	0.492	6	131.3035	0.530	253	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	131.4425	0.056	2	131.3035	0.530	253	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	130.7138	0.818	8	131.3035	0.530	253	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	130.8060	0.000	1	131.3035	0.530	253	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|Ge<4>,1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|Ge<4>,1|C<4>,3|C<3>,3|H<1>}	130.1085	0.283	4	131.3035	0.530	253	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	131.7705	0.408	2	131.3035	0.530	253	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	131.0699	0.534	10	131.3035	0.530	253	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|Si<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|Si<4>,1|O<2>,3|C<3>,3|H<1>}	132.1885	0.243	2	131.3035	0.530	253	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	131.0898	0.319	4	131.3035	0.530	253	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	130.9104	0.471	8	131.3035	0.530	253	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	131.4574	0.825	14	131.3035	0.530	253	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	131.0685	0.069	2	131.3035	0.530	253	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	131.2270	0.432	100	131.3035	0.530	253	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	132.0805	0.832	31	131.3035	0.530	253	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	131.4702	0.773	43	131.3035	0.530	253	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	131.8158	0.689	4	131.3035	0.530	253	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	130.7960	0.000	1	130.7960	0.000	1	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]I)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|I<1>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]I)(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|I<1>,2|H<1>,5|C<3>}	130.3640	1.529	8	130.3640	2.339	8	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N)(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	131.5393	0.150	4	131.5393	0.023	4	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	130.0660	0.000	1	130.0660	0.000	1	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	130.7000	0.000	1	130.7000	0.000	1	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H){2|H<1>,6|C<3>}	130.6870	0.161	4	130.6870	0.026	4	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	129.8660	0.620	4	130.8992	0.663	93	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	130.6640	0.083	2	130.8992	0.663	93	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|Ge<4>,1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|Ge<4>,1|C<4>,3|C<3>,3|H<1>}	130.3135	0.732	2	130.8992	0.663	93	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	130.9145	0.191	4	130.8992	0.663	93	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	130.8910	0.778	2	130.8992	0.663	93	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	130.2374	0.599	13	130.8992	0.663	93	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	129.9850	0.837	7	130.8992	0.663	93	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|N<3>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|N<3>,3|C<3>,3|H<1>}	130.9675	0.512	6	130.8992	0.663	93	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	131.1077	0.439	6	130.8992	0.663	93	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	131.2430	0.000	1	130.8992	0.663	93	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	130.9524	0.937	7	130.8992	0.663	93	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	131.2258	0.604	24	130.8992	0.663	93	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	131.5217	0.669	14	130.8992	0.663	93	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	132.7020	0.000	1	130.8992	0.663	93	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C){1|C<4>,2|H<1>,5|C<3>}	132.1690	0.000	1	132.1690	0.000	1	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[5a,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[5a,6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	128.3400	0.000	1	128.3400	0.000	1	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6,6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6,6a]O)(H){5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	129.7910	0.000	1	129.7910	0.000	1	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H){1|H<1>,3|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]C)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	129.1710	0.000	1	129.1710	0.000	1	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	129.6262	0.747	4	129.6262	0.557	4	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){1|C<2>,2|H<1>,4|C<3>}	130.8110	0.000	1	130.8110	0.000	1	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	128.9060	0.000	1	129.3462	0.257	6	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	129.4065	0.128	2	129.3462	0.257	6	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	129.4527	0.719	3	129.3462	0.257	6	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]P[5])(C[6a]C[6a]H){1|S<1>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H){1|P<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|S<1>,3|H<1>,4|C<3>}	125.6900	0.000	1	125.6900	0.000	1	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|Br<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Br)(H){1|B<3>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|Br<1>,2|H<1>,4|C<3>}	128.2095	0.511	2	128.2095	0.261	2	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,3|H<1>}	128.3205	0.095	2	128.2212	0.449	75	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|Br<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|Br<1>,3|C<3>,3|H<1>}	129.2005	0.320	6	128.2212	0.449	75	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|Br<1>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|Br<1>,3|H<1>,4|C<3>}	127.0265	0.165	2	128.2212	0.449	75	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	127.9195	0.947	2	128.2212	0.449	75	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	127.7660	0.443	2	128.2212	0.449	75	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|B<3>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	129.0660	0.449	4	128.2212	0.449	75	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	128.0610	0.008	2	128.2212	0.449	75	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|Cl<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|Cl<1>,3|C<3>,3|H<1>}	128.9010	0.061	2	128.2212	0.449	75	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	128.1929	0.356	10	128.2212	0.449	75	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	127.9290	0.016	2	128.2212	0.449	75	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	127.8053	0.658	6	128.2212	0.449	75	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	127.8270	0.657	6	128.2212	0.449	75	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	127.9143	0.188	3	128.2212	0.449	75	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|P<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|P<4>,3|C<3>,4|H<1>}	127.6465	0.631	2	128.2212	0.449	75	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	128.5627	0.327	18	128.2212	0.449	75	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	127.4387	0.542	4	128.2212	0.449	75	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	127.3180	0.148	2	128.2212	0.449	75	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H){1|B<3>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	128.7225	0.513	2	128.7225	0.263	2	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	128.9550	0.000	1	129.6884	0.246	5	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(H){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	129.8718	0.323	4	129.6884	0.246	5	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Br)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	131.1142	0.944	9	130.5515	1.448	13	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Br)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,2|H<1>,4|C<3>}	129.3680	0.966	2	130.5515	1.448	13	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|Br<1>,1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Br)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|Br<1>,1|H<1>,4|C<3>}	129.2025	0.158	2	130.5515	1.448	13	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	129.6515	0.148	2	130.4845	0.566	12	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	131.1560	0.000	1	130.4845	0.566	12	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H){5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	131.2310	0.000	1	130.4845	0.566	12	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	129.5465	0.858	2	130.4845	0.566	12	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	130.6150	0.000	1	130.4845	0.566	12	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	130.6777	0.169	3	130.4845	0.566	12	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	131.1915	0.357	2	130.4845	0.566	12	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C[5])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C[5])(H){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	130.8990	0.000	1	130.8990	0.000	1	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]C){4|C<3>,4|H<1>}	132.0080	0.170	2	132.0080	0.029	2	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|F<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	130.8490	0.000	1	129.8130	0.632	6	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|F<1>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]F)(H){1|F<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	130.7810	0.000	1	129.8130	0.632	6	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|F<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]F)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|F<1>,2|H<1>,4|C<3>}	129.3120	0.221	4	129.8130	0.632	6	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	131.8722	0.755	6	131.8247	0.490	7	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]C[6a]){1|C<4>,3|H<1>,6|C<3>}	131.5400	0.000	1	131.8247	0.490	7	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2){1|H<1>,1|O<1>,7|C<3>}	132.0770	0.000	1	132.0770	0.000	1	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]H){2|H<1>,6|C<3>}	130.4820	0.000	1	130.4820	0.000	1	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	131.2850	0.000	1	131.2850	0.000	1	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H){1|H<1>,1|O<1>,5|C<3>}	131.5940	0.000	1	131.5940	0.000	1	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]O){1|H<1>,6|C<3>}	132.5300	0.000	1	132.5300	0.000	1	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]2){1|O<2>,2|H<1>,7|C<3>}	132.1220	0.000	1	132.0650	0.006	2	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]2){1|C<4>,1|H<1>,7|C<3>}	132.0080	0.000	1	132.0650	0.006	2	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,5|C<3>}	131.4260	0.000	1	131.2612	0.098	8	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	131.7050	0.000	1	131.2612	0.098	8	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	131.3195	0.033	2	131.2612	0.098	8	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H){1|H<1>,3|C<4>,4|C<3>}	131.2990	0.000	1	131.2612	0.098	8	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	130.6130	0.000	1	131.2612	0.098	8	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	131.2040	0.153	2	131.2612	0.098	8	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]I)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|I<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]I){1|O<2>,2|H<1>,5|C<3>}	132.7480	0.984	2	132.7480	0.969	2	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a]){1|H<1>,1|O<2>,7|C<3>}	132.4300	0.000	1	132.4300	0.000	1	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]Sn)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Sn<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]Sn){3|H<1>,5|C<3>}	131.9180	0.000	1	131.9180	0.000	1	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[4,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[4,6a]H){1|C<4>,3|H<1>,4|C<3>}	130.5990	0.000	1	130.5990	0.000	1	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|C<2>,2|H<1>,4|C<3>}	131.5420	0.044	2	130.8926	0.678	23	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Br<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|O<1>,2|H<1>,4|C<3>}	131.0770	0.000	1	130.8926	0.678	23	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|O<1>,2|H<1>,4|C<3>}	130.9635	0.651	2	130.8926	0.678	23	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|P<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|P<2>,2|H<1>,4|C<3>}	130.8680	0.520	2	130.8926	0.678	23	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){2|H<1>,3|C<3>,3|C<4>}	130.6627	0.295	3	130.8926	0.678	23	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Br<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|C<4>,2|H<1>,4|C<3>}	130.5853	0.895	4	130.8926	0.678	23	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){2|H<1>,5|C<3>}	131.2997	1.195	6	130.8926	0.678	23	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|C<4>,2|H<1>,5|C<3>}	130.1927	0.555	3	130.8926	0.678	23	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Br<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]C){1|C<4>,1|H<1>,5|C<3>}	131.9460	0.000	1	131.9460	0.000	1	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){1|C<2>,2|H<1>,4|C<3>}	131.9925	1.227	2	131.5467	1.276	6	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){2|H<1>,5|C<3>}	131.6180	1.272	3	131.5467	1.276	6	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){2|H<1>,6|C<3>}	130.4410	0.000	1	131.5467	1.276	6	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H){1|C<4>,3|C<3>,4|H<1>}	131.1715	0.138	2	131.1715	0.019	2	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]C){3|H<1>,5|C<3>}	133.3000	0.000	1	133.3000	0.000	1	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){1|N<3>,2|H<1>,5|C<3>}	129.4440	1.114	2	131.4781	3.201	7	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){1|O<1>,2|H<1>,4|C<3>}	132.1463	1.762	3	131.4781	3.201	7	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){2|H<1>,5|C<3>}	132.5100	0.107	2	131.4781	3.201	7	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2){1|H<1>,1|O<1>,7|C<3>}	132.5877	0.564	6	132.0330	0.511	14	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2){1|N<2>,1|O<2>,2|H<1>,6|C<3>}	132.5750	0.000	1	132.0330	0.511	14	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2){1|C<2>,1|H<1>,7|C<3>}	131.4102	0.384	4	132.0330	0.511	14	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2){1|H<1>,8|C<3>}	131.5733	0.381	3	132.0330	0.511	14	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|O<1>,2|C<3>,2|N<3>,3|H<1>}	131.3400	0.000	1	132.3573	0.565	11	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|O<1>,3|C<3>,3|H<1>}	131.3690	0.000	1	132.3573	0.565	11	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|O<2>,3|C<3>,4|H<1>}	131.4850	0.000	1	132.3573	0.565	11	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	132.2660	0.000	1	132.3573	0.565	11	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){3|C<3>,5|H<1>}	132.5430	0.000	1	132.3573	0.565	11	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){3|C<3>,5|H<1>}	133.0210	0.144	3	132.3573	0.565	11	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){3|C<3>,5|H<1>}	132.6213	0.795	3	132.3573	0.565	11	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C[3])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Cl<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C[3]){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	132.4360	0.000	1	132.4360	0.000	1	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|As<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Br<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|As<2>,3|C<3>,3|H<1>}	130.6510	1.158	2	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|B<3>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|B<3>,3|C<3>,4|H<1>}	131.4205	0.036	2	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,3|H<1>}	130.2255	0.251	4	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|O<2>,3|C<3>,3|H<1>}	131.1417	0.322	101	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,3|C<3>,3|H<1>}	131.4025	0.355	22	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,3|H<1>,4|C<3>}	131.4435	0.251	2	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,3|H<1>,4|C<3>}	131.2312	0.310	8	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	131.0295	0.536	30	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	128.9170	0.000	1	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	130.8009	0.375	22	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	128.1600	1.523	2	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,2|H<1>,3|C<3>}	131.0540	0.000	1	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	128.0200	0.226	4	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	130.4303	0.289	8	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	131.8230	0.420	2	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	130.7667	0.665	143	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|I<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	129.6670	3.021	2	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	131.2400	0.000	1	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	130.9210	0.542	14	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	130.4650	0.000	1	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Cl<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	130.3290	0.000	1	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Ge<4>,1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Ge<4>,1|C<4>,3|C<3>,3|H<1>}	130.9723	0.622	4	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Ge<4>,1|Si<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Ge<4>,1|Si<4>,3|C<3>,3|H<1>}	130.6090	0.222	2	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Ge<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Ge<4>,3|C<3>,4|H<1>}	130.9692	0.385	4	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Ir<8>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	133.8220	0.000	1	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Mn<6>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Mn<6>,3|C<3>,4|H<1>}	130.6820	0.044	2	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	130.9394	0.831	62	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	131.0317	1.043	20	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	130.8628	0.415	17	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	130.7935	0.363	8	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|F<1>,1|O<1>,2|H<1>,3|C<3>}	130.0600	0.000	1	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	131.7730	0.000	1	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	129.5410	0.061	2	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Br<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	131.9990	0.000	1	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	131.8120	0.000	1	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	131.6520	0.000	1	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	130.8722	0.344	5	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	131.1920	0.000	1	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|C<4>}	131.1810	0.000	1	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|O<1>,3|C<3>}	130.0890	0.772	2	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Ir<6>,1|O<1>,2|H<1>,3|C<3>}	131.1690	0.594	2	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	130.7660	0.000	1	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	131.1400	0.059	2	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	131.1379	0.543	12	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Pt<4>,1|O<1>,2|H<1>,3|C<3>}	131.2670	0.000	1	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|I<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	132.1210	0.000	1	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	132.3310	0.129	2	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	131.0980	0.000	1	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	131.2740	0.000	1	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	132.5590	0.232	4	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Se<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	133.1550	0.000	1	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|H<1>,3|C<3>}	131.3940	0.000	1	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	131.2080	0.000	1	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,4|H<1>}	130.9840	0.397	2	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,4|H<1>}	128.8503	1.122	6	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	131.1422	0.416	167	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	130.3460	0.000	1	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	131.7994	0.332	16	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|P<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Br<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|P<2>,3|C<3>,3|H<1>}	130.6085	0.548	2	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|P<3>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|P<3>,3|C<3>,4|H<1>}	130.3600	0.584	2	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|P<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|P<4>,3|C<3>,3|H<1>}	131.3688	0.577	10	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|P<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|P<4>,3|C<3>,4|H<1>}	130.8123	0.220	12	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Pd<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Pd<4>,3|C<3>,4|H<1>}	132.1060	0.369	2	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Rh<7>,1|N<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Rh<7>,1|N<4>,3|C<3>,3|H<1>}	131.5325	0.945	2	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Ru<7>,1|P<5>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Ru<7>,1|P<5>,3|C<3>,3|H<1>}	130.3470	0.338	2	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|S<2>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|S<2>,3|H<1>,4|C<3>}	131.1455	0.026	2	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|S<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|S<4>,3|H<1>,4|C<3>}	130.5095	0.022	2	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Sb<2>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Sb<2>,3|C<3>,4|H<1>}	131.4172	0.572	4	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Si<4>,1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Si<4>,1|C<4>,3|C<3>,3|H<1>}	130.7990	0.184	2	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Si<4>,1|Sn<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Si<4>,1|Sn<4>,3|C<3>,3|H<1>}	131.0685	1.251	2	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Si<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	130.2950	0.218	2	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Si<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Si<4>,3|C<3>,3|H<1>}	132.2425	0.080	2	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Si<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Si<4>,3|C<3>,4|H<1>}	130.7706	0.301	25	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Si<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Si<4>,3|C<3>,4|H<1>}	131.5615	0.077	2	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Sn<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Sn<4>,1|O<2>,3|C<3>,3|H<1>}	131.8730	0.997	2	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	129.7030	0.000	1	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Au<2>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	130.7615	0.098	4	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	130.7504	0.618	7	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	131.2900	1.246	7	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	130.9762	0.495	19	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|C<5>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	131.4131	0.217	7	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|I<1>,2|C<4>,2|H<1>,3|C<3>}	131.1770	0.000	1	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Ir<6>,2|C<4>,2|H<1>,3|C<3>}	130.9010	0.572	8	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Pt<4>,2|C<4>,2|H<1>,3|C<3>}	131.1470	0.000	1	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Pt<6>,2|C<4>,2|H<1>,3|C<3>}	130.8710	0.873	2	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	130.8591	0.776	103	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	130.9350	0.114	3	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|I<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	130.5220	0.000	1	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Pt<4>,2|C<4>,2|H<1>,3|C<3>}	131.5070	0.000	1	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	131.0292	0.686	28	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	130.5347	0.332	3	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	130.9100	0.000	1	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	130.9648	0.546	84	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Si<4>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	131.5920	0.000	1	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	130.9177	0.191	3	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	128.3570	0.306	4	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|P<3>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|P<3>,3|C<3>,3|H<1>}	130.7440	0.004	2	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|P<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|P<4>,3|C<3>,3|H<1>}	130.5786	0.745	8	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|Si<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|Si<4>,3|C<3>,3|H<1>}	130.6900	0.178	2	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	131.2320	0.000	1	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	131.1120	0.000	1	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	131.0630	0.000	1	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	130.3452	1.615	18	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	130.6785	0.363	4	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	131.6353	0.365	3	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	131.1917	0.390	6	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	130.9519	0.545	14	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	133.3777	5.271	4	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Br<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	130.6680	0.708	6	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|F<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	130.1920	0.000	1	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,2|O<2>,4|C<3>}	130.2057	0.509	3	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	130.6425	0.447	4	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Si<4>,2|H<1>,4|C<3>}	131.2275	0.629	2	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	130.0206	0.771	154	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	130.4700	0.000	1	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Ir<8>,2|H<1>,4|C<3>}	132.5810	0.000	1	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	129.9570	0.286	3	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	130.5235	0.066	2	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|C<6>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	130.3820	0.000	1	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	131.2960	0.000	1	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	130.6852	0.692	79	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	132.3790	0.000	1	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	131.0383	1.017	3	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	131.7363	0.592	4	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|S<2>,3|H<1>,4|C<3>}	130.8620	0.000	1	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	130.3835	0.380	4	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	130.7455	0.715	2	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	130.9684	0.349	26	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	132.1170	0.086	2	130.8443	0.691	1462	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N){3|H<1>,4|C<3>}	132.8610	0.000	1	132.8610	0.000	1	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6a]){1|O<1>,2|H<1>,5|C<3>}	131.9820	0.000	1	131.9820	0.000	1	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	130.6650	0.000	1	130.6650	0.000	1	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]I)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|I<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]I)(H){1|C<4>,1|I<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	131.0700	0.000	1	131.0700	0.000	1	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Ir)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Ir<6>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Ir)(H){5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	130.3935	0.845	2	130.5059	1.023	10	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Ir)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Ir<6>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Ir)(H){1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	130.6873	1.691	3	130.5059	1.023	10	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Ir)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Ir<6>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Ir)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	130.4420	0.812	5	130.5059	1.023	10	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N)(H){1|C<4>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,3|C<3>,4|H<1>}	130.7995	0.408	2	130.7995	0.166	2	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N)(H){1|C<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N){1|O<1>,3|C<3>,3|H<1>}	133.2270	0.000	1	133.2270	0.000	1	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){2|C<4>,2|H<1>,4|C<3>}	129.6750	0.000	1	129.6750	0.000	1	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){4|C<3>,4|H<1>}	131.3290	0.000	1	131.3290	0.000	1	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	129.9980	0.000	1	130.0000	0.430	26	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|F<1>,3|C<3>,3|H<1>}	130.5340	0.000	1	130.0000	0.430	26	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	130.3230	0.716	2	130.0000	0.430	26	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,2|O<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H){1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	129.8160	0.409	3	130.0000	0.430	26	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,2|O<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H){1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	129.1837	0.452	3	130.0000	0.430	26	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	130.7030	0.000	1	130.0000	0.430	26	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	130.4515	0.286	8	130.0000	0.430	26	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H){1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,2|O<2>,4|C<3>}	129.4087	0.116	3	130.0000	0.430	26	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H){1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	129.8202	1.000	4	130.0000	0.430	26	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Pt)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Pt<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Pt)(H){5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	130.5950	0.000	1	130.5752	0.550	5	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Pt)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Pt<4>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Pt)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	130.9515	1.019	2	130.5752	0.550	5	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Pt)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Pt<6>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Pt)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	130.1890	0.762	2	130.5752	0.550	5	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]S)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|S<2>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]S)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	130.5470	0.000	1	130.5470	0.000	1	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]C)(H){4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	129.2300	0.000	1	130.5870	3.683	2	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]C)(H){4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	131.9440	0.000	1	130.5870	3.683	2	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]O[6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]O[6a]O)(H){4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	130.8792	0.606	5	131.0257	0.379	7	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]O[6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]O[6a]O)(H){4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	131.3920	0.655	2	131.0257	0.379	7	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Ge[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Ge[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Ge[5])(C[6a]C[6a]H){1|Ge<4>,1|Pt<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Ge<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Ge[5])(C[6a]C[6a]H){1|Ge<4>,1|Pt<4>,3|C<3>,3|H<1>}	124.6898	0.483	4	124.6890	0.223	8	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Ge[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Ge[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Ge[5])(C[6a]C[6a]H){2|Ge<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Ge<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Ge[5])(C[6a]C[6a]H){2|Ge<4>,3|C<3>,3|H<1>}	124.6882	0.536	4	124.6890	0.223	8	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]I[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]I[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]I[5])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|I<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]I[5])(C[6a]C[6a]H){3|C<3>,3|H<1>}	125.6040	0.409	10	125.6040	0.167	10	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	134.4510	0.185	2	134.4510	0.034	2	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Pd<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Pd<4>,3|H<1>,4|C<3>}	133.2035	0.155	2	133.5135	0.137	4	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	133.8235	0.035	2	133.5135	0.137	4	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]I)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|I<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]I)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|I<1>,2|H<1>,3|C<3>}	134.0255	0.484	2	134.0255	0.235	2	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]H)(H){1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){3|C<3>,3|H<1>}	135.0385	0.028	2	135.0385	0.001	2	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|Os<6>,1|P<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|Os<6>,1|P<4>,2|H<1>,3|C<3>}	138.4228	0.590	4	136.0296	9.013	12	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|Os<8>,1|P<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|Os<8>,1|P<4>,2|H<1>,3|C<3>}	139.2190	0.017	2	136.0296	9.013	12	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|Re<6>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|Re<6>,2|H<1>,4|C<3>}	131.3375	0.090	2	136.0296	9.013	12	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	134.3878	0.094	4	136.0296	9.013	12	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|Fe<5>,1|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|Fe<5>,1|C<4>,2|H<1>,4|C<3>}	126.0780	0.000	1	126.2728	0.732	4	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|P<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	126.9320	0.165	2	126.2728	0.732	4	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|Ru<9>,1|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|Ru<9>,1|C<4>,2|H<1>,4|C<3>}	125.1490	0.000	1	126.2728	0.732	4	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|S<1>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]P[5])(C[6a]C[6a]H){1|S<1>,2|H<1>,5|C<3>}	127.3490	0.000	1	127.3490	0.000	1	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|S<1>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[5,6a]H){1|P<4>,1|S<1>,2|H<1>,4|C<3>}	127.3160	0.462	2	127.3160	0.214	2	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a,6a]H){1|O<1>,2|H<1>,5|C<3>}	127.1790	0.235	2	127.1790	0.055	2	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]C){3|H<1>,4|C<3>}	129.4730	0.000	1	129.4730	0.000	1	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|B<4>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|B<4>,3|H<1>,4|C<3>}	126.2780	0.947	4	127.1830	0.663	87	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|B<4>,1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|B<4>,1|C<4>,3|C<3>,3|H<1>}	127.1590	0.085	2	127.1830	0.663	87	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|B<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|B<4>,3|H<1>,4|C<3>}	126.9725	0.025	2	127.1830	0.663	87	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|B<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|B<4>,1|C<4>,2|H<1>,4|C<3>}	127.1988	0.261	4	127.1830	0.663	87	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|B<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|B<4>,2|H<1>,5|C<3>}	127.0570	0.465	2	127.1830	0.663	87	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|B<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|B<4>,3|H<1>,4|C<3>}	127.3397	0.354	4	127.1830	0.663	87	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	127.2315	1.414	2	127.1830	0.663	87	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|C<4>,1|S<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|C<4>,1|S<1>,3|C<3>,3|H<1>}	127.4440	0.387	4	127.1830	0.663	87	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	126.1295	0.005	2	127.1830	0.663	87	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	127.0447	0.353	10	127.1830	0.663	87	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	126.6513	0.352	4	127.1830	0.663	87	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|F<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<5>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|F<1>,2|C<4>,3|C<3>,3|H<1>}	126.7040	0.260	2	127.1830	0.663	87	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|Fe<5>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|Fe<5>,1|H<1>,3|C<3>,3|C<4>}	125.8050	0.000	1	127.1830	0.663	87	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|I<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|I<1>,3|C<3>,3|H<1>}	127.6585	0.282	2	127.1830	0.663	87	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|Ir<8>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|Ir<8>,3|H<1>,4|C<3>}	127.4050	0.014	2	127.1830	0.663	87	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|Mo<6>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|Mo<6>,3|H<1>,4|C<3>}	127.8140	1.259	2	127.1830	0.663	87	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	127.3465	0.411	2	127.1830	0.663	87	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	127.4347	0.443	4	127.1830	0.663	87	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|Ir<6>,1|O<1>,2|H<1>,4|C<3>}	129.8100	0.000	1	127.1830	0.663	87	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	126.8740	0.670	2	127.1830	0.663	87	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|Pt<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|Pt<4>,3|H<1>,4|C<3>}	126.6028	0.633	4	127.1830	0.663	87	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|Ru<6>,1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|Ru<6>,1|C<4>,3|C<3>,3|H<1>}	126.7405	0.009	2	127.1830	0.663	87	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|Ru<9>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|Ru<9>,1|H<1>,3|C<3>,3|C<4>}	124.7380	0.000	1	127.1830	0.663	87	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|Se<1>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|Se<1>,3|H<1>,4|C<3>}	127.5785	0.146	2	127.1830	0.663	87	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|U<12>,2|S<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|P<5>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|U<12>,2|S<2>,3|C<3>,3|H<1>}	128.4392	0.705	8	127.1830	0.663	87	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	126.6693	0.194	4	127.1830	0.663	87	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){2|S<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){2|S<1>,3|C<3>,3|H<1>}	127.8400	0.195	2	127.1830	0.663	87	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){2|S<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){2|S<1>,3|C<3>,3|H<1>}	127.2105	0.375	2	127.1830	0.663	87	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	126.9315	0.622	2	127.1830	0.663	87	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	127.4160	0.259	2	127.1830	0.663	87	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]P[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	127.4705	1.039	2	127.4705	1.079	2	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Ir)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|Ir<6>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Ir)(H){1|P<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	124.0500	0.000	1	124.0500	0.000	1	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]H)(H){1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,3|C<3>,3|H<1>}	127.6610	0.072	2	127.9587	0.195	4	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]H)(H){1|P<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	128.2565	0.476	2	127.9587	0.195	4	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[5a]C[6a])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[5a]C[6a])(H){1|H<1>,1|S<2>,1|S<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	127.9310	0.000	1	127.9310	0.000	1	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(H){1|H<1>,1|N<2>,1|S<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	127.9190	0.185	2	128.2683	0.306	6	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(H){1|H<1>,1|S<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	128.3760	0.733	3	128.2683	0.306	6	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(H){1|H<1>,1|S<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,3|C<3>,3|H<1>}	128.6440	0.000	1	128.2683	0.306	6	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Ru<8>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|S<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Ru<8>,1|C<4>,2|H<1>,3|C<3>}	128.3240	1.336	4	128.3240	1.785	4	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|F<1>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]F)(H){1|H<1>,1|S<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|F<1>,1|N<2>,2|H<1>,3|C<3>}	128.7265	0.383	2	128.7265	0.146	2	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	127.8870	0.154	2	128.6808	0.493	62	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|F<1>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|F<1>,1|O<1>,3|C<3>,3|H<1>}	128.8197	0.177	4	128.6808	0.493	62	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,3|C<3>,3|H<1>}	128.2947	0.337	4	128.6808	0.493	62	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	129.2743	0.087	6	128.6808	0.493	62	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Pr<15>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Pr<15>,1|C<4>,2|H<1>,3|C<3>}	128.2680	0.944	4	128.6808	0.493	62	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Re<6>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Re<6>,2|H<1>,4|C<3>}	127.9290	0.687	2	128.6808	0.493	62	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Ru<8>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Ru<8>,1|C<4>,2|H<1>,3|C<3>}	128.3527	0.743	6	128.6808	0.493	62	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Ru<8>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Ru<8>,3|C<3>,3|H<1>}	128.7973	0.584	4	128.6808	0.493	62	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Ru<8>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Ru<8>,1|C<4>,2|H<1>,3|C<3>}	128.5030	0.332	4	128.6808	0.493	62	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Ru<8>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Ru<8>,3|C<3>,3|H<1>}	128.8705	0.632	4	128.6808	0.493	62	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Ru<9>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Ru<9>,3|C<3>,3|H<1>}	129.5345	0.247	2	128.6808	0.493	62	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Ru<9>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Ru<9>,2|H<1>,4|C<3>}	129.5755	0.774	2	128.6808	0.493	62	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Pt<4>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,3|C<3>,3|H<1>}	126.1620	0.000	1	128.6808	0.493	62	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<2>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,3|C<3>,3|H<1>}	128.9585	0.612	2	128.6808	0.493	62	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	128.4580	0.000	1	128.6808	0.493	62	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	128.9170	1.228	2	128.6808	0.493	62	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,3|C<3>,3|H<1>}	128.5620	0.274	4	128.6808	0.493	62	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|N<2>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,3|C<3>,3|H<1>}	128.8150	0.000	1	128.6808	0.493	62	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|N<3>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,3|C<3>,3|H<1>}	128.9170	0.129	3	128.6808	0.493	62	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|S<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,3|C<3>,3|H<1>}	129.4720	0.448	2	128.6808	0.493	62	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	128.6270	0.212	2	128.6808	0.493	62	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N)(H){1|H<1>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	127.4435	0.313	2	127.4435	0.098	2	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N[6])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N[6])(H){1|C<4>,1|S<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	128.4812	0.097	4	128.0224	0.414	9	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N[6])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N[6])(H){1|H<1>,1|S<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	127.6873	0.763	4	128.0224	0.414	9	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N[6])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N[6])(H){1|H<1>,1|S<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,3|C<3>,3|H<1>}	127.5280	0.000	1	128.0224	0.414	9	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Se<2>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]2){1|C<2>,1|C<4>,1|H<1>,5|C<3>}	128.7800	0.103	2	128.7800	0.011	2	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Se[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Se<2>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Se[5])(C[6a]C[5,6a]H){1|Se<2>,2|H<1>,3|C<3>}	127.8660	0.692	2	127.8660	0.478	2	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Se<2>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	126.9320	0.352	2	126.9320	0.124	2	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){1|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(H){1|Si<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	125.0120	0.000	1	124.3643	0.316	3	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|Cl<1>,1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(H){1|Si<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|Cl<1>,3|C<3>,3|H<1>}	124.0750	0.000	1	124.3643	0.316	3	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|Si<4>,1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(H){1|Si<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|Si<4>,3|C<3>,3|H<1>}	124.0060	0.000	1	124.3643	0.316	3	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H){1|Si<4>,1|C<4>,2|H<1>,4|C<3>}	125.0610	0.216	2	125.2357	0.057	4	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H){1|Si<4>,2|C<4>,2|H<1>,3|C<3>}	125.3870	0.000	1	125.2357	0.057	4	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H){1|Si<4>,2|H<1>,5|C<3>}	125.4340	0.000	1	125.2357	0.057	4	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]C){1|C<2>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	127.0660	0.000	1	127.0660	0.000	1	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){1|Pd<4>,1|Si<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){1|Pd<4>,1|Si<4>,3|C<3>,3|H<1>}	126.0175	1.630	2	125.0395	0.538	54	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){1|Pt<4>,1|Si<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){1|Pt<4>,1|Si<4>,3|C<3>,3|H<1>}	125.4823	1.577	4	125.0395	0.538	54	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){1|Ru<9>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){1|Ru<9>,1|O<2>,3|C<3>,3|H<1>}	125.4840	0.604	2	125.0395	0.538	54	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Si<4>,1|B<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	125.3690	0.000	1	125.0395	0.538	54	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Si<4>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	125.0750	0.000	1	125.0395	0.538	54	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	124.7830	0.000	1	125.0395	0.538	54	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	124.7565	0.244	6	125.0395	0.538	54	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Si<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	124.6705	0.399	4	125.0395	0.538	54	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Si<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	125.3277	0.381	4	125.0395	0.538	54	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|Cl<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|Cl<1>,1|H<1>,5|C<3>}	124.7650	0.000	1	125.0395	0.538	54	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|O<2>,3|C<3>,3|H<1>}	124.6376	0.302	8	125.0395	0.538	54	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|Si<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|Si<4>,1|H<1>,5|C<3>}	125.4210	0.000	1	125.0395	0.538	54	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|Si<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|Si<4>,3|C<3>,3|H<1>}	124.9811	0.925	12	125.0395	0.538	54	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){1|H<1>,7|C<3>}	125.6370	0.000	1	125.0395	0.538	54	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	125.1243	0.188	6	125.0395	0.538	54	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]Si[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]Si[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	124.6785	0.184	4	124.6785	0.034	4	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N)(H){1|Si<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	125.4270	0.000	1	124.7400	0.367	3	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	124.3965	0.162	2	124.7400	0.367	3	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]H)(H){1|Si<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	125.6070	0.132	2	125.6070	0.017	2	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Ga[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Ga[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Ga[5,5]C[6a])(C[6a]C[6a]H){1|N<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Ga<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Ga[5,5]C[6a])(C[6a]C[6a]H){1|N<4>,3|H<1>,4|C<3>}	122.8400	0.239	4	122.8400	0.057	4	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]In[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]In[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]In[5,5]C[6a])(C[6a]C[6a]H){1|N<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|In<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]In[5,5]C[6a])(C[6a]C[6a]H){1|N<4>,3|H<1>,4|C<3>}	121.7745	0.404	2	121.7745	0.163	2	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,3|H<1>}	132.6470	0.000	1	132.6470	0.000	1	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	132.7285	0.654	2	132.7285	0.428	2	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]P[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,3|C<3>,3|H<1>}	128.4790	0.615	2	128.4790	0.378	2	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]S[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]S[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]S[5,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<6>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]S[5,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,5|C<3>}	125.2535	0.804	2	125.2535	0.646	2	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Si[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Si[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Si[5,5]C[6a])(C[6a]C[6a]H){1|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(H){1|Si<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Si[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	124.4065	0.370	2	124.4065	0.137	2	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Si[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Si[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Si[5,5]C[6a])(C[6a]C[6a]H){1|Br<1>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Br)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Si[5,5]C[6a])(C[6a]C[6a]H){1|Br<1>,2|H<1>,5|C<3>}	124.8143	0.218	4	124.8143	0.047	4	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Si[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Si[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Si[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Br<1>,1|Si<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Si[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	125.1410	0.526	4	125.4365	0.417	16	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Si[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Si[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Si[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Si[5,5]C[6a])(C[6a]C[6a]H){1|H<1>,7|C<3>}	125.2510	0.349	2	125.4365	0.417	16	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Si[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Si[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Si[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Si[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	125.5918	0.718	10	125.4365	0.417	16	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Si[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Si[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Si[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Si[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	124.9535	0.011	2	124.9535	0.000	2	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	129.0610	0.000	1	128.8365	0.101	2	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	128.6120	0.000	1	128.8365	0.101	2	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a,6a]Si[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]Si[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H){1|Si<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	122.9645	0.064	4	122.9645	0.004	4	130.2362	3.678	2586	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[6a]-3:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(N[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(N[6a]C[6a]C){1|H<1>,2|O<1>,4|C<3>}	134.8852	1.069	4	134.8852	1.142	4	134.8852	1.142	4	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[5,6a]C[6a]C[5]){2|H<1>,7|C<3>}	134.1000	0.567	3	134.1000	0.322	3	134.1000	0.322	3	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a]){2|H<1>,8|C<3>}	133.1160	0.000	1	133.1160	0.000	1	131.3045	6.563	2	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5]){1|Ir<8>,1|H<1>,7|C<3>}	129.4930	0.000	1	129.4930	0.000	1	131.3045	6.563	2	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5]){1|H<1>,8|C<3>}	133.8540	0.216	2	133.8540	0.047	2	132.6266	1.177	20	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5,6a]C[6a]C[5]){1|H<1>,8|C<3>}	134.0455	0.244	2	133.5013	0.918	3	132.6266	1.177	20	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5,6a]C[6a]C[5]){1|C<4>,3|H<1>,6|C<3>}	132.4130	0.000	1	133.5013	0.918	3	132.6266	1.177	20	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5,6a]N[6a]C[5])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5,6a]N[6a]C[5]){2|H<1>,6|C<3>}	132.3280	0.000	1	132.3280	0.000	1	132.6266	1.177	20	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5]){1|C<4>,3|H<1>,6|C<3>}	132.4260	0.000	1	132.5538	0.496	11	132.6266	1.177	20	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5]){1|N<3>,3|H<1>,6|C<3>}	131.3950	0.000	1	132.5538	0.496	11	132.6266	1.177	20	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5]){1|H<1>,1|O<1>,7|C<3>}	132.1305	0.342	2	132.5538	0.496	11	132.6266	1.177	20	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|S<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5]){1|O<2>,1|S<4>,2|H<1>,6|C<3>}	133.0010	0.000	1	132.5538	0.496	11	132.6266	1.177	20	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5]){1|C<4>,3|H<1>,6|C<3>}	133.0732	0.432	5	132.5538	0.496	11	132.6266	1.177	20	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5]){3|H<1>,7|C<3>}	131.6430	0.000	1	132.5538	0.496	11	132.6266	1.177	20	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5,6a]C[6a]N[5])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5,6a]C[6a]N[5]){1|H<1>,1|N<2>,6|C<3>}	133.0820	0.000	1	133.0820	0.000	1	132.6266	1.177	20	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5]){1|H<1>,2|O<1>,7|C<3>}	130.4090	0.119	2	130.4090	0.014	2	132.6266	1.177	20	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5,6a]-3:	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[5,6a]C[5,6]C[6a])	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[5,6a]C[5,6]C[6a]){1|C<4>,1|H<1>,1|O<1>,7|C<3>}	131.3790	0.000	1	131.3790	0.000	1	131.2290	0.045	2	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5,6a]-3:	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[5,6a]C[6a]C[5]){1|O<1>,2|H<1>,7|C<3>}	131.0790	0.000	1	131.0790	0.000	1	131.2290	0.045	2	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	132.3660	0.000	1	132.3660	0.000	1	132.3660	0.000	1	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5]){1|H<1>,8|C<3>}	130.4100	0.000	1	130.4100	0.000	1	132.3243	1.866	10	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5]){1|H<1>,3|C<4>,6|C<3>}	132.7640	0.000	1	132.7640	0.000	1	132.3243	1.866	10	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5a,6a]C[5])	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5a,6a]C[5]){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	135.0400	0.000	1	134.4920	0.601	2	132.3243	1.866	10	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5a,6a]C[5])	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5a,6a]C[5]){1|C<4>,3|H<1>,6|C<3>}	133.9440	0.000	1	134.4920	0.601	2	132.3243	1.866	10	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5]){3|H<1>,7|C<3>}	132.0390	0.000	1	132.0390	0.000	1	132.3243	1.866	10	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5]){1|H<1>,2|C<4>,6|C<3>}	131.1170	0.000	1	131.1170	0.000	1	132.3243	1.866	10	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5]){2|H<1>,6|C<3>}	132.5780	0.000	1	132.5780	0.000	1	132.3243	1.866	10	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|S<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5]){1|H<1>,2|C<4>,6|C<3>}	131.7760	0.679	2	131.7760	0.461	2	132.3243	1.866	10	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5a,6a]C[5])	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|S<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5a,6a]C[5]){1|H<1>,2|C<4>,6|C<3>}	131.7990	0.000	1	131.7990	0.000	1	132.3243	1.866	10	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[6,6a]C[6,6a,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])	C[5,6a](C[5,6a]C[5,6a]C[6,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[6,6a]C[6,6a,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5]){1|C<2>,1|C<4>,3|H<1>,5|C<3>}	134.2290	0.000	1	134.2290	0.000	1	134.2290	0.000	1	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a]){2|C<4>,2|H<1>,6|C<3>}	132.1980	0.000	1	132.1980	0.000	1	131.3376	4.602	30	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]O)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H){1|O<2>,7|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]O)(H){1|C<4>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a]){1|O<2>,2|H<1>,7|C<3>}	128.6070	0.000	1	128.6070	0.000	1	131.3376	4.602	30	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5]){1|O<1>,3|H<1>,5|C<3>}	131.9990	0.000	1	131.9990	0.000	1	131.3376	4.602	30	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6,6a]C[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6,6a]C[5]){1|C<2>,1|C<4>,1|O<2>,2|H<1>,5|C<3>}	133.4590	0.000	1	133.4590	0.000	1	131.3376	4.602	30	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[6a,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5]){4|H<1>,6|C<3>}	131.4206	0.659	8	131.4206	0.434	8	131.3376	4.602	30	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5]){4|H<1>,6|C<3>}	131.7695	0.681	2	131.7695	0.464	2	131.3376	4.602	30	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5]){1|O<1>,1|S<2>,2|H<1>,5|C<3>}	133.9600	0.000	1	132.3670	5.075	2	131.3376	4.602	30	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5]){2|H<1>,7|C<3>}	130.7740	0.000	1	132.3670	5.075	2	131.3376	4.602	30	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5a,6a]C[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5a,6a]C[5]){2|H<1>,7|C<3>}	134.3650	0.000	1	134.3650	0.000	1	131.3376	4.602	30	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	133.2965	0.373	2	133.0512	0.696	6	131.3376	4.602	30	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5]){1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	132.5470	0.000	1	133.0512	0.696	6	131.3376	4.602	30	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5]){3|H<1>,6|C<3>}	134.4540	0.000	1	133.0512	0.696	6	131.3376	4.602	30	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5]){1|O<1>,1|O<2>,2|H<1>,6|C<3>}	132.2250	0.000	1	133.0512	0.696	6	131.3376	4.602	30	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5]){1|N<2>,4|H<1>,5|C<3>}	132.4880	0.000	1	133.0512	0.696	6	131.3376	4.602	30	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]O[6a]C[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]O[6a]C[5]){2|C<4>,2|H<1>,5|C<3>}	132.4870	0.000	1	132.4870	0.000	1	131.3376	4.602	30	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5]){1|O<1>,3|H<1>,6|C<3>}	129.3990	0.000	1	129.3990	0.000	1	131.3376	4.602	30	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]P[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]P[5]){1|O<1>,2|H<1>,7|C<3>}	130.3430	0.000	1	130.1070	0.111	2	131.3376	4.602	30	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]P[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|W<6>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]P[5]){1|W<6>,2|H<1>,6|C<3>}	129.8710	0.000	1	130.1070	0.111	2	131.3376	4.602	30	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5]){2|C<4>,3|H<1>,5|C<3>}	126.6860	0.000	1	126.6860	0.000	1	131.3376	4.602	30	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[6a,6a]C[6,6a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6,6a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5]){1|H<1>,2|C<4>,7|C<3>}	126.3840	0.075	2	126.3840	0.006	2	131.3376	4.602	30	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<5>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5]){2|C<4>,3|C<3>,3|H<1>,4|B<6>}	135.4290	0.000	1	135.4290	0.000	1	135.4290	0.000	1	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:I-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]I)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(I)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]I){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(I){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|I<1>,1|O<2>,2|H<1>,4|C<3>}	132.7900	0.190	2	132.7900	0.036	2	134.3115	3.131	4	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:I-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]I)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(I)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]I)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]I){1|I<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(I){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]I){1|I<1>,2|C<4>,2|H<1>,3|C<3>}	135.8330	0.314	2	135.8330	0.099	2	134.3115	3.131	4	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[5a,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[5a,6a]H){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]2)(H){1|C<4>,1|N<2>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[5a,6a]H){1|N<2>,2|H<1>,5|C<3>}	129.9167	0.472	4	129.9167	0.223	4	130.5501	0.888	13	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){2|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[5,6a]2)(H){1|C<4>,1|N<3>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	129.9590	0.000	1	129.9590	0.000	1	130.5501	0.888	13	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){1|C<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(H){1|C<2>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	132.1310	0.000	1	132.1310	0.000	1	130.5501	0.888	13	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){1|C<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(H){1|C<2>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,3|C<3>,3|H<1>}	131.0335	0.540	2	130.7206	1.286	5	130.5501	0.888	13	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(H){7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	130.5120	1.505	3	130.7206	1.286	5	130.5501	0.888	13	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){1|S<2>,3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]2)(H){1|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){1|S<2>,3|C<3>,4|H<1>}	130.8955	0.088	2	130.8955	0.008	2	130.5501	0.888	13	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){1|C<2>,1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(H){1|C<2>,6|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5]){1|C<2>,3|H<1>,5|C<3>}	134.5080	0.000	1	134.5080	0.000	1	134.5080	0.000	1	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6,6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6,6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]2)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	131.2380	0.000	1	131.2380	0.000	1	131.4024	0.046	7	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]2)(H){3|C<3>,5|C<4>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H){1|C<4>,3|C<3>,4|H<1>}	131.4115	0.268	4	131.4115	0.072	4	131.4024	0.046	7	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]2)(H){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	131.4665	0.156	2	131.4665	0.024	2	131.4024	0.046	7	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:Cl-1:	C[5,6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]Cl)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(Cl)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]Cl){7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(Cl){1|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a]){1|Cl<1>,1|H<1>,7|C<3>}	132.7255	1.002	2	132.7255	1.004	2	132.7255	1.004	2	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]H){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(H){1|H<1>,1|N<2>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	133.8470	0.000	1	133.8470	0.000	1	133.8470	0.000	1	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a,6a]H){1|H<1>,2|O<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(H){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|O<2>,3|C<3>,3|H<1>}	130.0395	0.196	2	130.8110	1.805	3	130.8618	2.538	25	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a,6a]H){2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(H){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	132.3540	0.000	1	130.8110	1.805	3	130.8618	2.538	25	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]2)(H){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H){1|C<4>,1|H<1>,5|C<3>}	129.0895	0.152	2	129.0895	0.023	2	130.8618	2.538	25	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]2)(H){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){2|H<1>,5|C<3>}	130.5500	0.000	1	130.5500	0.000	1	130.8618	2.538	25	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]2)(H){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){2|H<1>,5|C<3>}	130.4420	0.000	1	130.4420	0.000	1	130.8618	2.538	25	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H){1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5,6a]C[5,6a]2)(H){7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	129.6200	0.000	1	129.6200	0.000	1	130.8618	2.538	25	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[5,6a]2)(H){1|C<4>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){2|H<1>,3|C<3>,3|C<4>}	130.0820	0.000	1	130.0820	0.000	1	130.8618	2.538	25	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]B[6a])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){1|B<4>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]B[6a])(C[5,6a]C[5,6a]2)(H){1|C<4>,1|N<3>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){1|B<4>,2|C<4>,2|H<1>,3|C<3>}	131.2655	0.224	2	131.2655	0.050	2	130.8618	2.538	25	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(H){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){2|H<1>,5|C<3>}	132.3000	1.116	4	132.3000	1.245	4	130.8618	2.538	25	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(H){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	131.0825	0.812	2	131.7294	0.742	8	130.8618	2.538	25	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(H){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	131.9110	0.052	3	131.7294	0.742	8	130.8618	2.538	25	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(H){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	130.4780	0.000	1	131.7294	0.742	8	130.8618	2.538	25	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(H){7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	132.7295	0.172	2	131.7294	0.742	8	130.8618	2.538	25	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a,6a]H){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(H){1|H<1>,1|P<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	127.3365	0.329	2	127.3365	0.108	2	130.8618	2.538	25	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a,6a]H){1|H<1>,2|O<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(H){1|H<1>,1|S<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5]){1|H<1>,2|O<1>,7|C<3>}	130.8880	0.416	2	130.8880	0.173	2	130.8880	0.173	2	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(H){7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	129.3390	0.000	1	129.3390	0.000	1	129.3390	0.000	1	130.8304	5.700	3273	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:C-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C)	C[6a](C[5,6a]C[5,6,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(CN)	C[5,6a](C[5,6a]C[5,6,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C){1|C<4>,1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(CN){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<2>,2|H<1>,5|C<3>}	133.5490	0.000	1	133.5490	0.000	1	133.5490	0.000	1	133.9258	3.413	37	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]O){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	135.3710	0.217	3	135.3710	0.047	3	136.0543	1.899	4	133.9258	3.413	37	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]O)(OC)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]O){1|N<2>,2|O<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]O)(OC){1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]O){1|H<1>,1|N<2>,2|O<2>,3|C<3>}	138.1040	0.000	1	138.1040	0.000	1	136.0543	1.899	4	133.9258	3.413	37	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:S-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]S)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]Cl)(SC[5a])	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]Cl)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]S){2|Cl<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]Cl)(SC[5a]){1|Cl<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]Cl){2|Cl<1>,1|S<2>,4|C<3>}	135.4060	1.566	2	135.2247	1.324	3	135.2247	1.324	3	133.9258	3.413	37	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:S-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]S)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]Cl)(SC[5a])	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]Cl)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]S){2|Cl<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]Cl)(SC[5a]){1|S<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]Cl){2|Cl<1>,1|S<2>,4|C<3>}	134.8620	0.000	1	135.2247	1.324	3	135.2247	1.324	3	133.9258	3.413	37	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5a]-3:N[6a]-2:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[5a]N[6a])	C[6a](C[5,6a]C[5,6a]2)(C[5a]C[5a]O[5a])(N[6a]N[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[5a]N[6a]){1|C<4>,1|N<2>,1|O<2>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[5a]C[5a]O[5a])(N[6a]N[6a]){1|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,5|C<3>}	134.6380	0.430	2	134.6380	0.185	2	134.5473	0.117	3	133.9258	3.413	37	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5a]-3:N[6a]-2:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[5a]N[6a])	C[6a](C[5,6a]C[5,6a]2)(C[5a]C[5a]S[5a])(N[6a]N[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[5a]N[6a]){1|H<1>,1|N<2>,1|S<2>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[5a]C[5a]S[5a])(N[6a]N[6a]){1|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,5|C<3>}	134.3660	0.000	1	134.3660	0.000	1	134.5473	0.117	3	133.9258	3.413	37	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CN)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|C<2>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CN){1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|C<2>,1|O<1>,2|H<1>,3|C<3>}	134.5660	0.359	2	134.5660	0.129	2	132.8005	4.837	4	133.9258	3.413	37	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CN)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CN){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|O<2>,3|C<3>,3|H<1>}	132.0130	0.000	1	132.0130	0.000	1	132.8005	4.837	4	133.9258	3.413	37	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]N)(CN)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|O<1>,2|C<3>,2|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]N)(CN){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,3|C<3>,4|H<1>}	130.0570	0.000	1	130.0570	0.000	1	132.8005	4.837	4	133.9258	3.413	37	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[6a]-2:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(N[6a]N[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a]){1|C<4>,1|N<2>,6|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(N[6a]N[6a]){1|H<1>,1|O<2>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,5|C<3>}	134.0590	0.000	1	134.2060	0.043	2	133.5419	2.679	17	133.9258	3.413	37	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[6a]-2:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(N[6a]N[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a]){1|C<4>,1|N<2>,6|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(N[6a]N[6a]){2|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,5|C<3>}	134.3530	0.000	1	134.2060	0.043	2	133.5419	2.679	17	133.9258	3.413	37	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[6a]-2:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(N[6a]N[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,1|N<2>,6|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(N[6a]N[6a]){1|H<1>,1|O<2>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,5|C<3>}	133.1190	2.378	8	133.1746	4.977	9	133.5419	2.679	17	133.9258	3.413	37	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[6a]-2:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(N[6a]N[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,1|N<2>,6|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(N[6a]N[6a]){2|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,5|C<3>}	133.6190	0.000	1	133.1746	4.977	9	133.5419	2.679	17	133.9258	3.413	37	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[6a]-2:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N[6a])(N[6a]N[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,2|N<2>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N[6a])(N[6a]N[6a]){1|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,5|C<3>}	133.8415	0.378	2	133.9213	0.078	4	133.5419	2.679	17	133.9258	3.413	37	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[6a]-2:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N[6a])(N[6a]N[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,2|N<2>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N[6a])(N[6a]N[6a]){1|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,5|C<3>}	134.0010	0.255	2	133.9213	0.078	4	133.5419	2.679	17	133.9258	3.413	37	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[6a]-2:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]2)(N[6a]N[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,3|N<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]2)(N[6a]N[6a]){6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,5|C<3>}	133.7720	0.038	2	133.7720	0.001	2	133.5419	2.679	17	133.9258	3.413	37	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(OC)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]O){1|H<1>,1|N<2>,2|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(OC){1|O<2>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]O){1|N<2>,2|O<2>,4|C<3>}	134.0130	0.000	1	134.0130	0.000	1	134.0130	0.000	1	133.9258	3.413	37	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[5a]-3:N[6a]-2:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[5a]N[6a])	C[6a](C[5,6a]C[5,6a]2)(N[5a]C[5a]N[5a])(N[6a]N[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[5a]N[6a]){1|H<1>,1|N<3>,2|N<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(N[5a]C[5a]N[5a])(N[6a]N[6a]){1|C<4>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	134.8455	2.819	2	134.8455	7.948	2	134.8455	7.948	2	133.9258	3.413	37	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:O-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5,6a]C[5,6a]2)(OC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]O){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5,6a]C[5,6a]2)(OC){7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	130.1650	0.000	1	130.1650	0.000	1	130.1650	0.000	1	133.9258	3.413	37	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6a]){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(N[6a]C[6a]){1|O<2>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	132.8910	0.000	1	132.8910	0.000	1	132.8910	0.000	1	133.9258	3.413	37	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|H<1>,8|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|Br<1>,2|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	134.1335	1.333	2	134.1683	0.892	3	134.1683	0.892	3	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|H<1>,8|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	134.2380	0.000	1	134.1683	0.892	3	134.1683	0.892	3	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]2)(C[6a]C[6a]C){3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	134.4390	0.000	1	134.4390	0.000	1	134.4390	0.000	1	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]C[6a]){1|H<1>,8|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,7|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	129.9720	0.517	6	129.9720	0.268	6	129.9720	0.268	6	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(COO)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(COO){1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	132.8770	0.000	1	132.8770	0.000	1	132.8770	0.000	1	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(COO)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(COO){1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a]){1|H<1>,8|C<3>}	133.5410	0.000	1	133.5410	0.000	1	133.5410	0.000	1	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CCH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CCH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N){2|C<4>,2|H<1>,4|C<3>}	133.5060	0.000	1	133.5060	0.000	1	133.2679	1.765	9	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CCO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CCO){1|Cl<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	133.1350	0.268	3	133.1350	0.072	3	133.2679	1.765	9	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CHO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CHO){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N){2|C<4>,2|H<1>,4|C<3>}	131.8600	0.000	1	131.8600	0.000	1	133.2679	1.765	9	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(COO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(COO){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	134.6057	0.521	3	134.6057	0.271	3	133.2679	1.765	9	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(COO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]C){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(COO){1|H<1>,1|P<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,5|C<3>}	130.8230	0.000	1	130.8230	0.000	1	133.2679	1.765	9	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|Si<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	131.2355	0.172	2	131.2971	0.319	13	131.2133	1.058	30	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	131.4857	0.590	6	131.2971	0.319	13	131.2133	1.058	30	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	131.0954	0.640	5	131.2971	0.319	13	131.2133	1.058	30	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]N[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]N[6a]H){2|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	132.6630	0.000	1	132.6630	0.000	1	131.2133	1.058	30	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,8|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)2{2|H<1>,9|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	131.1680	0.769	2	130.8626	0.377	8	131.2133	1.058	30	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,8|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)2{3|H<1>,8|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	130.7608	0.600	6	130.8626	0.377	8	131.2133	1.058	30	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,8|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]2){1|Ir<6>,1|N<3>,2|H<1>,7|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	131.0865	0.920	2	131.0865	0.846	2	131.2133	1.058	30	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Ir)(C[6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|Ir<6>,1|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Ir)(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	130.5860	0.263	2	130.5860	0.069	2	131.2133	1.058	30	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Si)(C[6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|Si<4>,1|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Si)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	130.7260	0.197	2	130.7260	0.039	2	131.2133	1.058	30	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,6|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,7|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,5|C<3>}	135.3270	0.000	1	135.3270	0.000	1	131.2133	1.058	30	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]2){1|Br<1>,1|H<1>,7|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	129.8490	0.000	1	129.8490	0.000	1	131.2133	1.058	30	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,8|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]C){2|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	131.1585	0.280	6	131.1585	0.079	6	130.1987	1.041	26	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	131.9145	0.245	2	131.9145	0.060	2	130.1987	1.041	26	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[5,6a]C)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]2){1|C<2>,1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[5,6a]C)(C[6a]C[6a]2){1|Se<2>,1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H){2|H<1>,4|C<3>}	128.5375	0.105	2	128.5375	0.011	2	130.1987	1.041	26	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]2){1|C<4>,1|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	130.0300	0.000	1	130.0300	0.000	1	130.1987	1.041	26	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]2){1|O<2>,2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	131.2800	0.000	1	131.2800	0.000	1	130.1987	1.041	26	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2){1|C<2>,1|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	129.6575	0.323	2	129.6720	0.403	10	130.1987	1.041	26	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2){1|C<2>,1|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]C){3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	129.2215	0.059	2	129.6720	0.403	10	130.1987	1.041	26	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2){1|H<1>,1|O<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	130.9630	0.000	1	129.6720	0.403	10	130.1987	1.041	26	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2){1|H<1>,1|O<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]C){3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	129.4903	0.813	3	129.6720	0.403	10	130.1987	1.041	26	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2){1|H<1>,8|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	129.6960	0.000	1	129.6720	0.403	10	130.1987	1.041	26	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2){1|H<1>,8|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]C){3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	129.8320	0.000	1	129.6720	0.403	10	130.1987	1.041	26	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2){1|H<1>,1|O<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)2{3|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	129.8645	0.631	2	129.7813	0.220	3	130.1987	1.041	26	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2){1|H<1>,8|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)2{3|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	129.6150	0.000	1	129.7813	0.220	3	130.1987	1.041	26	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2){1|N<2>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	129.9360	0.000	1	129.9360	0.000	1	130.1987	1.041	26	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:N[6a]-3:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(N[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(N[6a]C[6a]C){2|O<1>,5|C<3>}	132.4920	0.000	1	132.4920	0.000	1	132.4920	0.000	1	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5]){1|C<4>,2|H<1>,7|C<3>}	131.7270	0.000	1	131.7270	0.000	1	131.7270	0.000	1	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NCC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NCC){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	132.3000	1.997	2	132.8690	1.764	4	134.4586	3.947	36	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NCC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NCC){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	133.4380	0.092	2	132.8690	1.764	4	134.4586	3.947	36	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NHH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NHH){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	129.6650	0.000	1	129.6650	0.000	1	134.4586	3.947	36	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N){1|Br<1>,1|C<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO){1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]Br){1|C<2>,1|N<3>,2|H<1>,3|C<3>}	136.1595	0.141	2	136.1595	0.020	2	134.4586	3.947	36	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO){1|Br<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|N<3>,3|C<3>}	136.0740	0.000	1	136.0740	0.000	1	134.4586	3.947	36	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO){1|C<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	136.0540	0.315	2	135.2942	0.488	24	134.4586	3.947	36	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO){1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	135.1662	0.551	8	135.2942	0.488	24	134.4586	3.947	36	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO){5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	135.8650	1.578	2	135.2942	0.488	24	134.4586	3.947	36	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO){1|C<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N){1|N<3>,2|H<1>,4|C<3>}	134.7150	0.041	2	135.2942	0.488	24	134.4586	3.947	36	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO){1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N){1|N<3>,2|H<1>,4|C<3>}	135.4515	0.711	6	135.2942	0.488	24	134.4586	3.947	36	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO){1|S<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N){1|N<3>,2|H<1>,4|C<3>}	134.6820	0.675	2	135.2942	0.488	24	134.4586	3.947	36	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO){5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N){1|N<3>,2|H<1>,4|C<3>}	135.1950	0.059	2	135.2942	0.488	24	134.4586	3.947	36	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]N)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NCH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]N)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]N){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NCH){1|C<2>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]N){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	129.0650	0.478	2	129.0650	0.228	2	134.4586	3.947	36	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]N)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]N)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]N){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO){1|C<2>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]N){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	132.8920	0.205	2	132.8920	0.042	2	134.4586	3.947	36	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a]){1|H<1>,8|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[5,6a]2)(C[6a]C[6a]2){2|H<1>,9|C<3>}	C[5,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	130.5685	0.288	2	130.5685	0.083	2	130.0255	0.801	4	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a]){1|H<1>,8|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[5,6a]2)(C[6a]C[6a]2){1|S<2>,2|H<1>,8|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	130.2380	0.000	1	130.2380	0.000	1	130.0255	0.801	4	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a]){1|H<1>,1|S<2>,7|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	128.7270	0.000	1	128.7270	0.000	1	130.0255	0.801	4	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6,6a]C[6a]){1|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	130.7725	0.302	6	130.7725	0.091	6	130.7725	0.091	6	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(CC[6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]C){3|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(CC[6a]O){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	131.2270	0.000	1	131.2270	0.000	1	131.2270	0.000	1	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|H<1>,8|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2){2|H<1>,9|C<3>}	C[5,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	131.5170	0.438	4	131.5170	0.192	4	131.3455	0.197	6	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|H<1>,8|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	131.0025	0.237	2	131.0025	0.056	2	131.3455	0.197	6	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|Cl<1>,8|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a]){1|H<1>,8|C<3>}	134.1460	1.638	2	134.1460	2.682	2	134.1460	2.682	2	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	130.2208	0.388	6	130.2120	0.126	7	130.2120	0.126	7	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]C[6a]){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	130.1590	0.000	1	130.2120	0.126	7	130.2120	0.126	7	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]2){1|H<1>,2|C<4>,7|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]C){1|H<1>,2|C<4>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	130.4010	0.000	1	130.4010	0.000	1	129.0155	0.659	6	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2){1|H<1>,1|O<1>,7|C<3>}	C[6a](C[6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2){1|H<1>,1|N<3>,9|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	129.5530	0.000	1	129.5530	0.000	1	129.0155	0.659	6	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|Se<2>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]2){2|H<1>,6|C<3>}	128.5348	0.234	4	128.5348	0.055	4	129.0155	0.659	6	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5]){1|H<1>,8|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2){2|H<1>,9|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	130.8810	0.317	2	130.8810	0.100	2	130.8810	0.100	2	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5,6a]-3:	C[5a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5,6a]C[6a]C[5]){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2){1|C<4>,1|O<2>,2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	130.7160	0.000	1	130.7427	0.039	3	131.8494	2.512	5	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5,6a]-3:	C[5a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5,6a]C[6a]C[5]){1|H<1>,8|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2){2|H<1>,9|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	130.7560	0.277	2	130.7427	0.039	3	131.8494	2.512	5	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5,6a]-3:	C[5a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5,6a]C[6a]N[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5,6a]C[6a]N[5]){1|H<1>,1|N<2>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2){1|N<2>,2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<4>,4|C<3>}	134.1360	0.000	1	134.1360	0.000	1	131.8494	2.512	5	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5,6a]-3:	C[5a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5,6a]N[6a]C[5])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5,6a]N[6a]C[5]){2|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2){1|C<4>,1|N<2>,1|N<3>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	132.8830	0.000	1	132.8830	0.000	1	131.8494	2.512	5	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5]){1|C<4>,2|H<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[5,6a]2)(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2){4|H<1>,6|C<3>}	131.0310	0.000	1	131.0310	0.000	1	130.3460	0.815	16	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5]){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[5,6a]2)(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	130.2648	0.427	5	130.2648	0.182	5	130.3460	0.815	16	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5]){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	130.8900	0.000	1	131.0977	0.253	6	130.3460	0.815	16	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5]){1|H<1>,1|O<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	131.2445	0.306	2	131.0977	0.253	6	130.3460	0.815	16	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5]){1|N<3>,3|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	131.6630	0.000	1	131.0977	0.253	6	130.3460	0.815	16	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5]){1|O<2>,1|S<4>,2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|S<4>,3|H<1>,4|C<3>}	130.2470	0.000	1	131.0977	0.253	6	130.3460	0.815	16	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5]){3|H<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	131.2970	0.000	1	131.0977	0.253	6	130.3460	0.815	16	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5]){1|H<1>,2|O<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2){1|S<4>,3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a,6a]H){1|H<1>,2|O<1>,5|C<3>}	129.0225	0.740	2	129.0225	0.548	2	130.3460	0.815	16	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5]){1|H<1>,2|O<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2){1|S<4>,3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	129.2750	0.011	2	129.2750	0.000	2	130.3460	0.815	16	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[5,6a]C[5,6]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[5,6a]C[5,6]C[6a]){1|C<4>,1|H<1>,1|O<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	132.7650	0.000	1	132.7650	0.000	1	132.9060	0.040	2	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[5,6a]C[6a]C[5])	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[5,6a]C[6a]C[5]){1|O<1>,2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	133.0470	0.000	1	133.0470	0.000	1	132.9060	0.040	2	131.7393	4.547	172	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(CCHH)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(N[6a]C[6a,6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]C){1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(CCHH){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,5|C<3>}	134.3100	0.000	1	134.3100	0.000	1	134.3100	0.000	1	131.8175	12.425	2	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:N[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]N[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])	C[5,6a](C[5,6a]N[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[6a]C[5])(N[6a]C[6a,6a]){1|C<4>,1|O<1>,1|O<2>,5|C<3>}	129.3250	0.000	1	129.3250	0.000	1	129.3250	0.000	1	131.8175	12.425	2	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[5,6a,6a]C[6a])(CH3)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[5,6a,6a]C[6a])(CH3){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	135.1080	0.000	1	135.1080	0.000	1	135.3265	0.095	2	133.5036	5.853	78	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(CH3)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(CH3){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	135.5450	0.000	1	135.5450	0.000	1	135.3265	0.095	2	133.5036	5.853	78	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]C)(CH3)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){2|C<4>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]C)(CH3){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){3|C<4>,4|C<3>}	134.5910	0.000	1	134.5910	0.000	1	135.8073	1.175	33	133.5036	5.853	78	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]C)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]C){2|C<4>,5|C<3>}	135.9560	0.226	2	135.9560	0.051	2	135.8073	1.175	33	133.5036	5.853	78	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[5a]N[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[5a]N[6a]){1|C<4>,1|N<2>,1|O<2>,5|C<3>}	136.1725	1.015	2	136.1725	1.030	2	135.8073	1.175	33	133.5036	5.853	78	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(CH3){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){3|C<4>,4|C<3>}	134.5738	1.295	5	135.8263	1.323	22	135.8073	1.175	33	133.5036	5.853	78	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|C<2>,2|C<4>,4|C<3>}	136.0840	0.529	2	135.8263	1.323	22	135.8073	1.175	33	133.5036	5.853	78	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|C<4>,2|H<1>,4|C<3>}	137.7010	0.000	1	135.8263	1.323	22	135.8073	1.175	33	133.5036	5.853	78	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|H<1>,2|C<4>,4|C<3>}	136.3730	0.673	4	135.8263	1.323	22	135.8073	1.175	33	133.5036	5.853	78	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|S<6>,2|C<4>,4|C<3>}	135.2690	0.000	1	135.8263	1.323	22	135.8073	1.175	33	133.5036	5.853	78	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){2|C<4>,5|C<3>}	136.0555	1.223	4	135.8263	1.323	22	135.8073	1.175	33	133.5036	5.853	78	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){3|C<4>,4|C<3>}	136.0916	0.591	5	135.8263	1.323	22	135.8073	1.175	33	133.5036	5.853	78	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	133.6970	0.000	1	133.6970	0.000	1	135.8073	1.175	33	133.5036	5.853	78	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a]){1|C<4>,1|N<2>,6|C<3>}	135.9710	0.581	2	135.9710	0.338	2	135.8073	1.175	33	133.5036	5.853	78	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]C)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]C){1|C<4>,1|N<2>,4|C<3>}	135.4030	0.000	1	135.4030	0.000	1	135.8073	1.175	33	133.5036	5.853	78	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]S)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]S){1|C<4>,1|N<2>,1|S<2>,3|C<3>}	136.7855	0.127	2	136.7855	0.016	2	135.8073	1.175	33	133.5036	5.853	78	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C-4:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(CH3)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]C){2|C<4>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(CH3){1|N<3>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,5|C<3>}	130.7280	0.520	2	130.7280	0.271	2	130.7280	0.271	2	133.5036	5.853	78	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(CH3)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){2|C<4>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(CH3){7|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,5|C<3>}	132.0393	1.241	4	132.0393	1.539	4	131.6532	1.430	23	133.5036	5.853	78	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(CH3)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|C<2>,2|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(CH3){1|C<2>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,5|C<3>}	131.6585	1.306	2	131.2629	0.486	13	131.6532	1.430	23	133.5036	5.853	78	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(CH3)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){3|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(CH3){1|C<4>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,5|C<3>}	131.3333	0.662	7	131.2629	0.486	13	131.6532	1.430	23	133.5036	5.853	78	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(CH3)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){3|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(CH3){1|C<4>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){2|C<4>,5|C<3>}	131.2410	0.000	1	131.2629	0.486	13	131.6532	1.430	23	133.5036	5.853	78	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(CH3)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){3|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(CH3){1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,5|C<3>}	130.5215	0.015	2	131.2629	0.486	13	131.6532	1.430	23	133.5036	5.853	78	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(CH3)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){3|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(CH3){1|S<6>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,5|C<3>}	131.4840	0.000	1	131.2629	0.486	13	131.6532	1.430	23	133.5036	5.853	78	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CCHH)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CCHH){1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,5|C<3>}	131.1520	0.000	1	131.1520	0.000	1	131.6532	1.430	23	133.5036	5.853	78	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,5|C<3>}	134.7650	0.000	1	133.1792	1.522	4	131.6532	1.430	23	133.5036	5.853	78	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CH3){1|C<4>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,5|C<3>}	132.2185	0.302	2	133.1792	1.522	4	131.6532	1.430	23	133.5036	5.853	78	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,5|C<3>}	133.5150	0.000	1	133.1792	1.522	4	131.6532	1.430	23	133.5036	5.853	78	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]S)(CH3)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|S<6>,2|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]S)(CH3){1|C<4>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,5|C<3>}	129.5800	0.000	1	129.5800	0.000	1	131.6532	1.430	23	133.5036	5.853	78	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a,6a]C[6a,6a]2)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a,6a]C[6a,6a]2){1|C<4>,8|C<3>}	132.8100	0.000	1	132.5320	0.155	2	132.5320	0.155	2	133.5036	5.853	78	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a,6a]C[6a,6a]2)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a,6a]C[6a,6a]2){1|C<4>,1|H<1>,8|C<3>}	132.2540	0.000	1	132.5320	0.155	2	132.5320	0.155	2	133.5036	5.853	78	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	130.7240	0.000	1	130.7240	0.000	1	131.3821	3.630	12	133.5036	5.853	78	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(CH3)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]C){4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(CH3){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	130.9815	0.316	2	130.9815	0.100	2	131.3821	3.630	12	133.5036	5.853	78	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(CH3)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|Sn<4>,3|C<3>,4|C<4>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(CH3){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|Sn<4>,3|C<3>,4|C<4>}	131.6840	0.358	2	131.6840	0.128	2	131.3821	3.630	12	133.5036	5.853	78	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CCHH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CCHH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N){2|H<1>,3|C<3>,3|C<4>}	134.0430	0.000	1	134.0430	0.000	1	131.3821	3.630	12	133.5036	5.853	78	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CCHO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CCHO){1|Cl<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	132.1210	0.000	1	132.1210	0.000	1	131.3821	3.630	12	133.5036	5.853	78	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CC[6]HH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CC[6]HH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N){2|H<1>,3|C<3>,3|C<4>}	133.3480	0.000	1	133.3480	0.000	1	131.3821	3.630	12	133.5036	5.853	78	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|O<2>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	132.0750	0.000	1	132.0750	0.000	1	131.3821	3.630	12	133.5036	5.853	78	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CH3){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	132.7420	0.000	1	132.7420	0.000	1	131.3821	3.630	12	133.5036	5.853	78	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(CH3)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	129.4050	0.000	1	129.4050	0.000	1	131.3821	3.630	12	133.5036	5.853	78	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]O)(CCHH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]C){1|C<2>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]O)(CCHH){1|Si<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	126.7960	0.000	1	126.7960	0.000	1	131.3821	3.630	12	133.5036	5.853	78	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CC[6a]HH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5]){1|C<4>,3|H<1>,6|C<3>}	132.5850	0.000	1	132.5850	0.000	1	132.4875	0.019	2	133.5036	5.853	78	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CH3)	C[5,6a](C[6a,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	C[5,6a](C[6a,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5]){1|C<4>,3|H<1>,6|C<3>}	132.3900	0.000	1	132.3900	0.000	1	132.4875	0.019	2	133.5036	5.853	78	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(CCHH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]C){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(CCHH){7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	130.8660	0.000	1	130.8660	0.000	1	130.8660	0.000	1	133.5036	5.853	78	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]C)(CC[6a]HH)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]C)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	134.0180	0.000	1	134.0180	0.000	1	134.0180	0.000	1	133.5036	5.853	78	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[3]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C[3])	C[6a](C[5,6a]C[5,6a]2)(C[3]C[3]O[3]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C[3]){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[3]C[3]O[3]H)(C[6a]C[6a]H){1|Cl<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	131.0310	0.000	1	131.0310	0.000	1	131.0310	0.000	1	131.0310	0.000	1	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	4:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[3,5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[3,5,5]C[6a])	C[6a](C[3,5,5]C[3,5,5]2C[5,5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[3,5,5]C[6a]){1|O<2>,2|H<1>,3|C<3>,5|C<4>}	C[6a](C[3,5,5]C[3,5,5]2C[5,5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>,7|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	129.7750	0.000	1	129.7750	0.000	1	129.7750	0.000	1	129.7750	0.000	1	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	5:3:3:	3:3:3:	C[6a]-3:C[5,6a]-3:C[5,6a]-3:	C[3x3,4,3x5,14x6]-5:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5]){2|C<4>,3|C<3>,3|H<1>,4|B<6>}	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|C<4>,1|C<5>,3|C<3>,5|B<6>,5|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<5>,2|C<4>,2|H<1>,3|C<3>}	137.9190	0.000	1	137.9190	0.000	1	137.9190	0.000	1	137.9190	0.000	1	130.9943	5.958	3677	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[5,5a]-3:C[5a,6]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:N[5,5a]-3:C[5]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5,5a]N[5,5a]C[5])(C[5a,6]C[5a]C[6])	C[6,6a](C[5a,6]C[5,5a]C[5a,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,5a](C[5a,6]C[5a,6]C[6,6a])(N[5,5a]C[5a]C[5])(C[5]C[5]O)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5,5a]N[5,5a]C[5])(C[5a,6]C[5a]C[6]){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[5a,6]C[5,5a]C[5a,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5,5a](C[5a,6]C[5a,6]C[6,6a])(N[5,5a]C[5a]C[5])(C[5]C[5]O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	132.0840	0.000	1	132.0840	0.000	1	132.0840	0.000	1	132.8913	0.535	3	132.8913	0.535	3	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[5,5a]-3:N[5a,6]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5,5a]-3:C[5]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5,5a]C[5,5a]C[5])(N[5a,6]C[5a]C[6])	C[6,6a](C[5a,6]C[5,5a]N[5a,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,5a](C[5a,6]C[6,6a]N[5a,6])(C[5,5a]C[5a]C[5])(C[5]N[5]O)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5,5a]C[5,5a]C[5])(N[5a,6]C[5a]C[6]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[5a,6]C[5,5a]N[5a,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[5,5a](C[5a,6]C[6,6a]N[5a,6])(C[5,5a]C[5a]C[5])(C[5]N[5]O){1|C<4>,1|O<1>,4|C<3>}	133.0790	0.000	1	133.2950	0.093	2	133.2950	0.093	2	132.8913	0.535	3	132.8913	0.535	3	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[5,5a]-3:N[5a,6]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5,5a]-3:C[5]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5,5a]C[5,5a]C[5])(N[5a,6]C[5a]C[6])	C[6,6a](C[5a,6]C[5,5a]N[5a,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,5a](C[5a,6]C[6,6a]N[5a,6])(C[5,5a]C[5a]C[5])(C[5]N[5]O)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5,5a]C[5,5a]C[5])(N[5a,6]C[5a]C[6]){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6,6a](C[5a,6]C[5,5a]N[5a,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5,5a](C[5a,6]C[6,6a]N[5a,6])(C[5,5a]C[5a]C[5])(C[5]N[5]O){1|O<1>,5|C<3>}	133.5110	0.000	1	133.2950	0.093	2	133.2950	0.093	2	132.8913	0.535	3	132.8913	0.535	3	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])	C[6,6a](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6]){1|C<4>,1|S<4>,4|C<3>,4|H<1>}	C[6,6a](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,2|O<2>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	130.8400	0.000	1	132.1777	1.352	3	132.1777	1.352	3	134.1547	6.934	13	134.1547	6.934	13	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])	C[6,6a](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6]){2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	132.9460	0.000	1	132.1777	1.352	3	132.1777	1.352	3	134.1547	6.934	13	134.1547	6.934	13	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])	C[6,6a](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6]){3|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	132.7470	0.000	1	132.1777	1.352	3	132.1777	1.352	3	134.1547	6.934	13	134.1547	6.934	13	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]O[5a]C[6])	C[6,6a](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]O[5a]C[6]){1|O<2>,2|H<1>,6|C<3>}	C[6,6a](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a]){1|C<4>,2|H<1>,5|C<3>}	138.8460	0.000	1	138.8460	0.000	1	138.8460	0.000	1	134.1547	6.934	13	134.1547	6.934	13	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5a,6]N[5a]C[6])	C[6,6a](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5a,6]N[5a]C[6]){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	137.9190	0.000	1	136.4537	1.611	3	136.4537	1.611	3	134.1547	6.934	13	134.1547	6.934	13	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5a,6]N[5a]C[6])	C[6,6a](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5a,6]N[5a]C[6]){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	135.7210	0.033	2	136.4537	1.611	3	136.4537	1.611	3	134.1547	6.934	13	134.1547	6.934	13	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[5a,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6](C[6,6a]C[5a,6,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5a,6]C[5a,6a]N[5a,6])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6](C[6,6a]C[5a,6,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6]){1|N<3>,2|F<1>,2|H<1>,5|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5a,6]C[5a,6a]N[5a,6])(C[6a]C[6a,6a]H){1|B<4>,7|C<3>}	C[5a,6a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	130.9780	0.000	1	130.9780	0.000	1	131.3310	0.514	3	134.1547	6.934	13	134.1547	6.934	13	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[5a,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6](C[6,6a]C[5a,6,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5a,6]C[5a,6a]N[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6](C[6,6a]C[5a,6,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6]){1|N<3>,2|F<1>,2|H<1>,5|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5a,6]C[5a,6a]N[5a,6])(C[6a]C[6a]H){1|B<4>,1|C<4>,6|C<3>}	C[5a,6a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	132.1560	0.000	1	131.5075	0.841	2	131.3310	0.514	3	134.1547	6.934	13	134.1547	6.934	13	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[5a,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6](C[6,6a]C[5a,6,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5a,6]C[5a,6a]N[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6](C[6,6a]C[5a,6,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6]){1|N<3>,2|F<1>,2|H<1>,5|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5a,6]C[5a,6a]N[5a,6])(C[6a]C[6a]H){1|B<4>,1|H<1>,6|C<3>}	C[5a,6a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	130.8590	0.000	1	131.5075	0.841	2	131.3310	0.514	3	134.1547	6.934	13	134.1547	6.934	13	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6,6]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6](N[5a,6,6]C[5a,6]B[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[5a,6]N[5a,6,6]C[5a,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]N[5a,6,6]C[6,6a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6](N[5a,6,6]C[5a,6]B[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[5a,6]N[5a,6,6]C[5a,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6]N[5a,6,6]C[6,6a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	135.0220	0.000	1	135.0927	0.055	3	135.0927	0.055	3	134.1547	6.934	13	134.1547	6.934	13	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6,6]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6](N[5a,6,6]C[5a,6]B[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[5a,6]N[5a,6,6]C[5a,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]N[5a,6,6]C[6,6a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6](N[5a,6,6]C[5a,6]B[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|N<3>,1|O<2>,2|H<1>,6|C<3>}	C[6,6a](C[5a,6]N[5a,6,6]C[5a,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6]N[5a,6,6]C[6,6a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	135.1280	0.320	2	135.0927	0.055	3	135.0927	0.055	3	134.1547	6.934	13	134.1547	6.934	13	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:N[6a]-2:	C[5a,6]-3:N[5a]-2:H-1:	C[5a,6](C[6,6a]C[6,6a]N[6a])(C[5a,6]N[5a]C[6])(C[5a]N[5a]H)	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]N[5a])(H)	C[5a,6](C[6,6a]C[6,6a]N[6a])(C[5a,6]N[5a]C[6])(C[5a]N[5a]H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|C<4>,1|N<2>,2|C<3>,2|N<3>,3|H<1>}	C[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]N[5a])(H){1|C<4>,1|N<2>,2|C<3>}	133.6570	0.813	2	133.6570	0.661	2	133.6570	0.661	2	133.6570	0.661	2	133.2957	8.778	101	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[6,6a]-3:N[6a]-2:	C[5a,6]-3:C[5a,6a]-3:H-1:	C[5a,6](C[6,6a]N[6,6a]N[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)	C[6,6a](C[5a,6]N[5a,6]C[5a])(N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6](C[6,6a]N[6,6a]N[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(N[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	130.6260	0.000	1	130.6260	0.000	1	130.6260	0.000	1	130.6260	0.000	1	133.2957	8.778	101	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-2:H-1:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]N[5a]C[6])(C[5a]N[5a]H)	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a](C[5a,6]C[6,6a]N[5a,6])(N[5a]N[5a])(H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]N[5a]C[6])(C[5a]N[5a]H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|N<2>,3|C<3>,3|H<1>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(N[5a]N[5a])(H){3|C<3>}	138.0500	0.000	1	138.0500	0.000	1	138.0500	0.000	1	138.0500	0.000	1	133.2957	8.778	101	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6,6a]-3:C[6,6a]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:O[5a]-2:C[6a]-3:	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[6a]O[5a])	C[6,6a](C[5a,6]C[5a,6,6a]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5a](C[5a,6]C[5a,6,6a]C[6,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[6a]O[5a]){1|O<2>,7|C<3>}	C[6,6a](C[5a,6]C[5a,6,6a]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5a](C[5a,6]C[5a,6,6a]C[6,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	139.7155	0.069	2	139.7155	0.005	2	139.7155	0.005	2	139.6090	0.036	3	133.2957	8.778	101	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-2:N-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]N[5a]N)	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a](C[5a,6]C[6,6a]N[5a,6])(N[5a]C[5a])(NOO)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]N[5a]N){2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,4|H<1>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(N[5a]C[5a])(NOO){2|C<3>,2|C<4>}	139.3960	0.000	1	139.3960	0.000	1	139.3960	0.000	1	139.6090	0.036	3	133.2957	8.778	101	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]N[6])(C[5a]N[5a]C)	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]N[5a])(CC3)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]N[6])(C[5a]N[5a]C){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]N[5a])(CC3){1|N<3>,3|C<3>}	139.0670	0.000	1	139.0905	0.001	2	139.0905	0.001	2	139.0905	0.001	2	133.2957	8.778	101	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]N[6])(C[5a]N[5a]C)	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]N[5a])(CC3)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]N[6])(C[5a]N[5a]C){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|N<3>,3|H<1>}	C[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]N[5a])(CC3){1|N<3>,3|C<3>}	139.1140	0.000	1	139.0905	0.001	2	139.0905	0.001	2	139.0905	0.001	2	133.2957	8.778	101	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6,6]-3:C[6,6a]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6,6]N[5a,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]H)	C[6,6a](C[5a,6]C[5a,6,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]O)	C[5a](C[5a,6]C[5a,6,6]C[6,6a])(C[5a]N[5a,6]H)(H)	C[5a,6](C[5a,6,6]N[5a,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]H){1|B<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6,6a](C[5a,6]C[5a,6,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]O){1|N<3>,3|C<3>,4|H<1>}	C[5a](C[5a,6]C[5a,6,6]C[6,6a])(C[5a]N[5a,6]H)(H){1|B<4>,3|C<3>}	137.7400	0.000	1	137.7400	0.000	1	137.7400	0.000	1	131.2675	7.570	41	133.2957	8.778	101	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[6,6a]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]N[5a,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6]H)	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6]N[5a,6]C[6])(H)	C[5a,6](C[5a,6]N[5a,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6]H){1|B<4>,1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6]N[5a,6]C[6])(H){1|B<4>,1|C<4>,4|C<3>}	130.2880	0.515	4	130.2880	0.265	4	130.2880	0.265	4	131.2675	7.570	41	133.2957	8.778	101	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]H)	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]H)(H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	C[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]H)(H){1|H<1>,3|C<3>}	134.8630	0.000	1	134.3220	0.585	2	134.3220	0.585	2	131.2675	7.570	41	133.2957	8.778	101	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]H)	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]H)(H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]H){1|N<3>,1|S<4>,2|C<3>,3|H<1>}	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]H)(H){1|S<4>,3|C<3>}	133.7810	0.000	1	134.3220	0.585	2	134.3220	0.585	2	131.2675	7.570	41	133.2957	8.778	101	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:H-1:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[3,6]C[5a])(C[5a]N[5a]H)	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a]S)(H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[3,6]C[5a])(C[5a]N[5a]H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a]S)(H){1|C<4>,1|H<1>,2|C<3>}	129.7960	0.000	1	129.7960	0.000	1	129.7960	0.000	1	131.2675	7.570	41	133.2957	8.778	101	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:H-1:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|F<1>,3|H<1>,4|C<3>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	131.1330	0.000	1	131.1330	0.000	1	132.7033	2.040	3	131.2675	7.570	41	133.2957	8.778	101	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:H-1:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	133.9250	0.000	1	133.4885	0.381	2	132.7033	2.040	3	131.2675	7.570	41	133.2957	8.778	101	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:H-1:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H){1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	133.0520	0.000	1	133.4885	0.381	2	132.7033	2.040	3	131.2675	7.570	41	133.2957	8.778	101	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C[6a])(H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C[6a])(H){1|C<2>,1|C<4>,4|C<3>}	133.0330	0.000	1	132.1537	0.580	3	133.0627	2.908	8	131.2675	7.570	41	133.2957	8.778	101	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C[6a])(H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C[6a])(H){1|C<4>,5|C<3>}	131.7140	0.028	2	132.1537	0.580	3	133.0627	2.908	8	131.2675	7.570	41	133.2957	8.778	101	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]H)(H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|C<4>,2|C<3>,5|H<1>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	133.6910	0.000	1	133.6910	0.000	1	133.0627	2.908	8	131.2675	7.570	41	133.2957	8.778	101	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[6,6]N[5a])(C[5a]C[5a]H)	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]N[5a]H)(H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[6,6]N[5a])(C[5a]C[5a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]N[5a]H)(H){1|C<4>,2|C<3>}	135.0720	0.000	1	135.0720	0.000	1	133.0627	2.908	8	131.2675	7.570	41	133.2957	8.778	101	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]N[5a]C[6])(C[5a]C[5a]H)	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]N[5a]H)(H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]N[5a]C[6])(C[5a]C[5a]H){1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]N[5a]H)(H){1|C<4>,2|C<3>}	135.9220	0.000	1	135.9220	0.000	1	133.0627	2.908	8	131.2675	7.570	41	133.2957	8.778	101	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]N[5a]C[6])(C[5a]C[5a]H)	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]N[5a]N)(H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]N[5a]C[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]N[5a]N)(H){3|C<3>}	131.6780	0.526	2	131.6780	0.277	2	133.0627	2.908	8	131.2675	7.570	41	133.2957	8.778	101	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a,6,6]-3:C[6,6a]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]H)	C[6,6a](C[5a,6]N[5a,6,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5a](C[5a,6]N[5a,6,6]C[6,6a])(C[5a]C[5a,6]H)(H)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]H){1|N<3>,2|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[5a,6]N[5a,6,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6,6a])(C[5a]C[5a,6]H)(H){1|B<4>,3|C<3>}	133.0258	0.976	6	132.8374	0.804	8	129.8960	7.311	20	131.2675	7.570	41	133.2957	8.778	101	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a,6,6]-3:C[6,6a]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]H)	C[6,6a](C[5a,6]N[5a,6,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5a](C[5a,6]N[5a,6,6]C[6,6a])(C[5a]C[5a,6]H)(H)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]H){1|N<3>,2|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[5a,6]N[5a,6,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	C[5a](C[5a,6]N[5a,6,6]C[6,6a])(C[5a]C[5a,6]H)(H){1|B<4>,3|C<3>}	132.2720	0.117	2	132.8374	0.804	8	129.8960	7.311	20	131.2675	7.570	41	133.2957	8.778	101	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a,6,6]-3:C[6,6a]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](N[5a,6,6]C[5a,6]Ga[3x6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]H)	C[6,6a](C[5a,6]N[5a,6,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5a](C[5a,6]N[5a,6,6]C[6,6a])(C[5a]C[5a,6]H)(H)	C[5a,6](N[5a,6,6]C[5a,6]Ga[3x6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]H){2|H<1>,2|N<3>,2|O<2>,3|C<3>}	C[6,6a](C[5a,6]N[5a,6,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Ga<5>,1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6,6a])(C[5a]C[5a,6]H)(H){1|Ga<5>,3|C<3>}	126.9495	0.795	2	126.9495	0.633	2	129.8960	7.311	20	131.2675	7.570	41	133.2957	8.778	101	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a,6,6]-3:C[6,6a]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](N[5a,6,6]C[5a,6]Ge[3x6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]H)	C[6,6a](C[5a,6]N[5a,6,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5a](C[5a,6]N[5a,6,6]C[6,6a])(C[5a]C[5a,6]H)(H)	C[5a,6](N[5a,6,6]C[5a,6]Ge[3x6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]H){1|Cl<1>,1|N<3>,2|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[5a,6]N[5a,6,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Ge<5>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6,6a])(C[5a]C[5a,6]H)(H){1|Ge<5>,3|C<3>}	126.1985	0.209	2	127.5437	1.563	6	129.8960	7.311	20	131.2675	7.570	41	133.2957	8.778	101	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a,6,6]-3:C[6,6a]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](N[5a,6,6]C[5a,6]Ge[3x6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]H)	C[6,6a](C[5a,6]N[5a,6,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5a](C[5a,6]N[5a,6,6]C[6,6a])(C[5a]C[5a,6]H)(H)	C[5a,6](N[5a,6,6]C[5a,6]Ge[3x6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]H){1|Cl<1>,1|N<3>,2|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[5a,6]N[5a,6,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Ge<5>,1|H<1>,2|C<4>,3|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6,6a])(C[5a]C[5a,6]H)(H){1|Ge<5>,3|C<3>}	128.4355	1.218	2	127.5437	1.563	6	129.8960	7.311	20	131.2675	7.570	41	133.2957	8.778	101	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a,6,6]-3:C[6,6a]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](N[5a,6,6]C[5a,6]Ge[3x6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]H)	C[6,6a](C[5a,6]N[5a,6,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5a](C[5a,6]N[5a,6,6]C[6,6a])(C[5a]C[5a,6]H)(H)	C[5a,6](N[5a,6,6]C[5a,6]Ge[3x6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]H){1|N<3>,2|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[5a,6]N[5a,6,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Ge<5>,3|C<3>,3|H<1>}	C[5a](C[5a,6]N[5a,6,6]C[6,6a])(C[5a]C[5a,6]H)(H){1|Ge<5>,3|C<3>}	127.9970	0.817	2	127.5437	1.563	6	129.8960	7.311	20	131.2675	7.570	41	133.2957	8.778	101	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a,6,6]-3:C[6,6a]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](N[5a,6,6]C[5a,6]Si[3x6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]H)	C[6,6a](C[5a,6]N[5a,6,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5a](C[5a,6]N[5a,6,6]C[6,6a])(C[5a]C[5a,6]H)(H)	C[5a,6](N[5a,6,6]C[5a,6]Si[3x6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]H){1|N<3>,2|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[5a,6]N[5a,6,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Si<5>,3|C<3>,3|H<1>}	C[5a](C[5a,6]N[5a,6,6]C[6,6a])(C[5a]C[5a,6]H)(H){1|Si<5>,3|C<3>}	129.1510	1.256	2	129.0150	0.653	4	129.8960	7.311	20	131.2675	7.570	41	133.2957	8.778	101	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a,6,6]-3:C[6,6a]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](N[5a,6,6]C[5a,6]Si[3x6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]H)	C[6,6a](C[5a,6]N[5a,6,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5a](C[5a,6]N[5a,6,6]C[6,6a])(C[5a]C[5a,6]H)(H)	C[5a,6](N[5a,6,6]C[5a,6]Si[3x6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]H){1|N<3>,2|H<1>,3|C<3>,3|O<2>}	C[6,6a](C[5a,6]N[5a,6,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Si<5>,3|C<3>,3|H<1>}	C[5a](C[5a,6]N[5a,6,6]C[6,6a])(C[5a]C[5a,6]H)(H){1|Si<5>,3|C<3>}	128.8790	0.554	2	129.0150	0.653	4	129.8960	7.311	20	131.2675	7.570	41	133.2957	8.778	101	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a,6]-3:C[6,6a]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:N[5a,6]-3:H-1:	C[5a,6](N[5a,6]C[5a,6]B[5,6])(C[6,6a]C[6,6a]C[6a])(C[5a]N[5a,6]H)	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5a](C[5a,6]C[6,6a]N[5a,6])(N[5a,6]C[5a,6]C[6])(H)	C[5a,6](N[5a,6]C[5a,6]B[5,6])(C[6,6a]C[6,6a]C[6a])(C[5a]N[5a,6]H){1|H<1>,2|O<2>,5|C<3>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(N[5a,6]C[5a,6]C[6])(H){1|B<4>,1|H<1>,4|C<3>}	132.0510	0.822	2	132.0510	0.675	2	132.0510	0.675	2	131.2675	7.570	41	133.2957	8.778	101	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[6,6a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:S-2:	C[5a,6](C[6,6a]C[6,6a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]S)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]H)	C[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[6a]N[5a])(SC)	C[5a,6](C[6,6a]C[6,6a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]S){1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|S<2>,5|C<3>}	C[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[6a]N[5a])(SC){1|H<1>,5|C<3>}	133.9570	0.194	2	133.9570	0.038	2	133.9180	0.023	3	134.5466	2.645	5	133.2957	8.778	101	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[6,6a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:S-2:	C[5a,6](C[6,6a]C[6,6a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]S)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]H)	C[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]C)(SC)	C[5a,6](C[6,6a]C[6,6a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]S){1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|S<2>,5|C<3>}	C[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]C)(SC){1|H<1>,3|C<3>}	133.8400	0.000	1	133.8400	0.000	1	133.9180	0.023	3	134.5466	2.645	5	133.2957	8.778	101	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:O-2:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]O)	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]C)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]H)(OC)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]O){1|C<2>,1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]C){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]H)(OC){1|C<4>,3|C<3>}	133.5440	0.000	1	133.5440	0.000	1	133.5440	0.000	1	134.5466	2.645	5	133.2957	8.778	101	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(C[5a]C[6a]N[5a])	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(C[5a]C[6a]N[5a]){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|N<2>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,5|C<3>}	137.4350	0.000	1	137.4350	0.000	1	137.4350	0.000	1	134.5466	2.645	5	133.2957	8.778	101	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[6,6a]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6](C[5a,6]C[5a,6a]N[6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[6a])	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6](C[5a,6]C[5a,6a]N[6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[6a]){1|H<1>,1|S<4>,6|C<3>}	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|N<2>,2|H<1>,2|O<1>,4|C<3>}	C[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,2|C<4>,6|C<3>}	131.5250	0.000	1	131.5250	0.000	1	131.5250	0.000	1	134.4554	2.962	35	133.2957	8.778	101	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[6,6a]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,5a]-3:C[5a,6]-3:C-3:	C[5a,6](C[5a,6]C[5a,5a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5a]N[5a,5a]C)	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6]C[5a,6]C[6,6a])(CC[6a]O)	C[5a,6](C[5a,6]C[5a,5a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5a]N[5a,5a]C){1|O<2>,1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6]C[5a,6]C[6,6a])(CC[6a]O){1|C<4>,1|S<2>,4|C<3>}	134.2365	0.391	2	134.6783	0.662	3	134.6783	0.662	3	134.4554	2.962	35	133.2957	8.778	101	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[6,6a]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,5a]-3:C[5a,6]-3:C-3:	C[5a,6](C[5a,6]C[5a,5a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5a]N[5a,5a]C)	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6]C[5a,6]C[6,6a])(CC[6a]O)	C[5a,6](C[5a,6]C[5a,5a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5a]N[5a,5a]C){1|O<2>,1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6]C[5a,6]C[6,6a])(CC[6a]O){1|C<4>,1|S<2>,4|C<3>}	135.5620	0.000	1	134.6783	0.662	3	134.6783	0.662	3	134.4554	2.962	35	133.2957	8.778	101	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:C-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6]C)	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6]C[5a,6]N[5a,6])(COO)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6]C){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6]C[5a,6]N[5a,6])(COO){1|N<3>,2|C<4>,3|C<3>}	135.8580	0.457	2	135.7510	0.139	3	135.7510	0.139	3	134.4554	2.962	35	133.2957	8.778	101	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:C-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6]C)	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6]C[5a,6]N[5a,6])(COO)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6]C){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6]C[5a,6]N[5a,6])(COO){1|N<3>,2|C<4>,3|C<3>}	135.5370	0.000	1	135.7510	0.139	3	135.7510	0.139	3	134.4554	2.962	35	133.2957	8.778	101	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]C)	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]C)(CCO)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]C){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]C)(CCO){1|H<1>,3|C<3>}	134.2930	0.000	1	134.2930	0.000	1	133.4613	7.725	3	134.4554	2.962	35	133.2957	8.778	101	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]C)	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]C)(COO)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]C){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]C)(COO){1|H<1>,3|C<3>}	135.7300	0.000	1	135.7300	0.000	1	133.4613	7.725	3	134.4554	2.962	35	133.2957	8.778	101	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]S[5a]C[6])(C[5a]C[5a]C)	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]S[5a]S)(CC[5a]O)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]S[5a]C[6])(C[5a]C[5a]C){1|H<1>,1|O<1>,1|S<2>,3|C<3>}	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|H<1>,4|C<3>}	C[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]S[5a]S)(CC[5a]O){3|C<3>}	130.3610	0.000	1	130.3610	0.000	1	133.4613	7.725	3	134.4554	2.962	35	133.2957	8.778	101	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:C-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[6])(C[5a]C[5a,6]C)	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6]C[5a,6]C[6])(COO)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[6])(C[5a]C[5a,6]C){2|H<1>,5|C<3>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6]C[5a,6]C[6])(COO){1|O<1>,5|C<3>}	133.8420	0.000	1	133.8420	0.000	1	133.8420	0.000	1	134.4554	2.962	35	133.2957	8.778	101	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(CCH)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(CCH){1|C<4>,1|H<1>,4|C<3>}	131.8800	0.000	1	131.8800	0.000	1	131.8800	0.000	1	134.4554	2.962	35	133.2957	8.778	101	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a]){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	132.9816	0.949	5	133.0328	0.737	6	133.0328	0.737	6	134.4554	2.962	35	133.2957	8.778	101	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a]){1|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,6|C<3>}	133.2890	0.000	1	133.0328	0.737	6	133.0328	0.737	6	134.4554	2.962	35	133.2957	8.778	101	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C[6a])(CCO)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C[6a])(CCO){1|C<4>,5|C<3>}	134.2230	0.000	1	134.2230	0.000	1	134.1148	2.418	6	134.4554	2.962	35	133.2957	8.778	101	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C[6a])(CC[6a]O)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C[6a])(CC[6a]O){1|C<4>,5|C<3>}	132.4570	0.000	1	132.4570	0.000	1	134.1148	2.418	6	134.4554	2.962	35	133.2957	8.778	101	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]H)(CC[6a]O)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]H)(CC[6a]O){1|C<4>,3|C<3>}	133.7773	1.100	3	133.7773	1.211	3	134.1148	2.418	6	134.4554	2.962	35	133.2957	8.778	101	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]N[5a]C[6])(C[5a]C[5a]C)	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[6a]N[5a])(COO)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]N[5a]C[6])(C[5a]C[5a]C){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[6a]N[5a])(COO){1|C<4>,4|C<3>}	136.6770	0.000	1	136.6770	0.000	1	134.1148	2.418	6	134.4554	2.962	35	133.2957	8.778	101	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a]){1|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	134.5390	0.315	2	134.5390	0.099	2	134.5390	0.099	2	134.4554	2.962	35	133.2957	8.778	101	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[6a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6](C[6,6a]C[6a,6a]C[6,6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]O[6])	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6](C[6,6a]C[6a,6a]C[6,6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a]){1|H<1>,1|O<2>,8|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]O[6]){1|C<4>,2|H<1>,6|C<3>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,6|C<3>}	135.4650	0.000	1	135.4650	0.000	1	135.4650	0.000	1	134.4554	2.962	35	133.2957	8.778	101	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6,6]-3:C[6,6a]-3:C[5a]-3:	C[6,6,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6](N[5a,6,6]C[6,6,6a]C[5a,6])(C[6,6a]C[6,6,6a]C[6a])(C[5a]C[5a]C[6a])	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]O)	C[5a](C[5a,6]N[5a,6,6]C[6,6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]2)	C[5a,6](N[5a,6,6]C[6,6,6a]C[5a,6])(C[6,6a]C[6,6,6a]C[6a])(C[5a]C[5a]C[6a]){1|O<2>,8|C<3>}	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]O){1|H<1>,7|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6,6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	136.5940	0.000	1	136.5940	0.000	1	136.5940	0.000	1	134.4554	2.962	35	133.2957	8.778	101	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6,6]-3:C[6,6a]-3:C[5a]-3:	C[6,6a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6](N[5a,6,6]C[6,6,6a]C[5a,6])(C[6,6a]C[6,6a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]O)	C[5a](C[5a,6]N[5a,6,6]C[6,6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]2)	C[5a,6](N[5a,6,6]C[6,6,6a]C[5a,6])(C[6,6a]C[6,6a,6a]C[6a])(C[5a]C[5a]C[6a]){1|O<2>,8|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]O){1|H<1>,7|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6,6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	136.4150	0.000	1	136.4150	0.000	1	136.4150	0.000	1	134.4554	2.962	35	133.2957	8.778	101	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6,6a]-3:C[6,6a]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6](N[5a,6,6a]C[6,6a,6a]C[5a,6a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]C[6a])	C[6,6a](C[5a,6]N[5a,6,6a]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6]N[5a,6,6a]C[6,6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6](N[5a,6,6a]C[6,6a,6a]C[5a,6a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,8|C<3>}	C[6,6a](C[5a,6]N[5a,6,6a]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5a](C[5a,6]N[5a,6,6a]C[6,6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,9|C<3>}	135.5370	0.000	1	135.5170	0.427	4	135.5170	0.427	4	134.4554	2.962	35	133.2957	8.778	101	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6,6a]-3:C[6,6a]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6](N[5a,6,6a]C[6,6a,6a]C[5a,6a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]C[6a])	C[6,6a](C[5a,6]N[5a,6,6a]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6]N[5a,6,6a]C[6,6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6](N[5a,6,6a]C[6,6a,6a]C[5a,6a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,8|C<3>}	C[6,6a](C[5a,6]N[5a,6,6a]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5a](C[5a,6]N[5a,6,6a]C[6,6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	135.5103	0.800	3	135.5170	0.427	4	135.5170	0.427	4	134.4554	2.962	35	133.2957	8.778	101	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6,6a]-3:C[6,6a]-3:C[5a]-3:	C[6,6,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6](N[5a,6,6a]C[6,6a,6a]C[5a,6a])(C[6,6a]C[6,6,6a]C[6a])(C[5a]C[5a]C[6a])	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[5a,6]N[5a,6,6a]C[5a])(C[6a]C[6a]O)	C[5a](C[5a,6]N[5a,6,6a]C[6,6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6](N[5a,6,6a]C[6,6a,6a]C[5a,6a])(C[6,6a]C[6,6,6a]C[6a])(C[5a]C[5a]C[6a]){1|O<2>,8|C<3>}	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[5a,6]N[5a,6,6a]C[5a])(C[6a]C[6a]O){1|H<1>,7|C<3>}	C[5a](C[5a,6]N[5a,6,6a]C[6,6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	136.8810	0.000	1	136.8810	0.000	1	136.8810	0.000	1	134.4554	2.962	35	133.2957	8.778	101	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6,6a]-3:C[6,6a]-3:C[5a]-3:	C[6,6a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6](N[5a,6,6a]C[6,6a,6a]C[5a,6a])(C[6,6a]C[6,6a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[5a,6]N[5a,6,6a]C[5a])(C[6a]C[6a]O)	C[5a](C[5a,6]N[5a,6,6a]C[6,6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6](N[5a,6,6a]C[6,6a,6a]C[5a,6a])(C[6,6a]C[6,6a,6a]C[6a])(C[5a]C[5a]C[6a]){1|O<2>,8|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[5a,6]N[5a,6,6a]C[5a])(C[6a]C[6a]O){1|H<1>,7|C<3>}	C[5a](C[5a,6]N[5a,6,6a]C[6,6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	137.6320	0.000	1	137.6320	0.000	1	137.6320	0.000	1	134.4554	2.962	35	133.2957	8.778	101	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:C-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]N[5a]C)	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a]C)(CCHH)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]N[5a]C){2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a]C)(CCHH){2|C<3>,2|C<4>}	131.5770	0.000	1	131.5770	0.000	1	131.5770	0.000	1	133.5666	2.186	11	133.2957	8.778	101	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|C<4>,1|H<1>,4|C<3>}	133.7035	0.163	2	133.7035	0.027	2	133.3000	0.218	5	133.5666	2.186	11	133.2957	8.778	101	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	133.4590	0.000	1	133.4590	0.000	1	133.3000	0.218	5	133.5666	2.186	11	133.2957	8.778	101	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|C<4>,1|H<1>,4|C<3>}	132.8170	0.171	2	132.8170	0.029	2	133.3000	0.218	5	133.5666	2.186	11	133.2957	8.778	101	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C)(CH3)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H){1|B<4>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<4>,2|C<3>}	132.5540	0.000	1	132.5540	0.000	1	133.6510	5.489	3	133.5666	2.186	11	133.2957	8.778	101	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]H)(CH3)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H){1|B<4>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,2|C<3>}	132.0580	0.000	1	132.0580	0.000	1	133.6510	5.489	3	133.5666	2.186	11	133.2957	8.778	101	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]O)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C)(CCHH)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]O){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	136.3410	0.000	1	136.3410	0.000	1	133.6510	5.489	3	133.5666	2.186	11	133.2957	8.778	101	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:S-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]S)	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]H)(SCOO)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]S){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,3|C<3>,3|H<1>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]H)(SCOO){1|C<4>,3|C<3>}	134.4070	0.000	1	135.1015	0.965	2	135.1015	0.965	2	133.5666	2.186	11	133.2957	8.778	101	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:S-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]S)	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]H)(SCOO)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]S){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]H)(SCOO){1|C<4>,3|C<3>}	135.7960	0.000	1	135.1015	0.965	2	135.1015	0.965	2	133.5666	2.186	11	133.2957	8.778	101	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6,6,6a]	C[5a,6]	3:3:3:	3:3:4:	3:3:3:	C[6,6,6a]-3:C[5a,6]-3:C[5a,6a]-3:	C[6,6,6a]-3:C[5a,6a]-3:C[3x6]-4:	C[5a,6a]-3:C[5,6,6]-3:C[5a,6]-3:	C[5a,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6]C[5,6,6]C[5a,6])(C[5a,6a]C[6,6,6a]S[5a])	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a,6a]C[5a,6])(C[3x6]C[6,6]2H)	C[5a,6](C[5a,6a]C[6,6,6a]C[5a,6a])(C[5,6,6]C[5,6,6]C[5,6])(C[5a,6]C[3x6]S[5a])	C[5a,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6]C[5,6,6]C[5a,6])(C[5a,6a]C[6,6,6a]S[5a]){1|H<1>,2|C<3>,6|C<4>}	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a,6a]C[5a,6])(C[3x6]C[6,6]2H){1|S<2>,3|C<3>,3|C<4>,5|H<1>}	C[5a,6](C[5a,6a]C[6,6,6a]C[5a,6a])(C[5,6,6]C[5,6,6]C[5,6])(C[5a,6]C[3x6]S[5a]){1|H<1>,3|C<3>,6|C<4>}	133.2280	0.000	1	133.2280	0.000	1	133.2280	0.000	1	133.2280	0.000	1	133.2280	0.000	1	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5,5a]	3:3:3:	3:4:3:	3:3:4:	C[6,6a]-3:C[5,5a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[4,6]-4:C[6,6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[6,6a]C[6,6a]C[4,6])(C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])	C[6,6a](C[5a,6a]C[5a,6a]C[5,5a])(C[4,6]C[4,6]C[4]H)(C[6,6a]C[6a]C[6])	C[5,5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5,5a]C[5,6]N[5a])(C[5]C[5,6]HO)	C[5a,6a](C[6,6a]C[6,6a]C[4,6])(C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a]){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	C[6,6a](C[5a,6a]C[5a,6a]C[5,5a])(C[4,6]C[4,6]C[4]H)(C[6,6a]C[6a]C[6]){1|N<3>,2|C<3>,4|C<4>,5|H<1>}	C[5,5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5,5a]C[5,6]N[5a])(C[5]C[5,6]HO){2|C<3>,2|H<1>,4|C<4>}	133.4720	0.000	1	133.4720	0.000	1	133.4720	0.000	1	133.4720	0.000	1	133.4720	0.000	1	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[5a,6a]-3:C[6,6a]-3:O[6]-2:	C[5a,6a]-3:N[5a,6,6]-3:N[6]-2:	C[5a,6a](C[5a,6a]C[5a,6]C[6,6a])(C[5a,6]N[5a,6,6]N[6])(C[6,6a]C[6,6a]O[6])	C[6,6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]O[6])(O[6]C[6,6a])	C[5a,6](C[5a,6a]C[5a,6a]C[6,6a])(N[5a,6,6]C[5a,6]B[3x6])(N[6]C[5a,6])	C[5a,6a](C[5a,6a]C[5a,6]C[6,6a])(C[5a,6]N[5a,6,6]N[6])(C[6,6a]C[6,6a]O[6]){1|B<4>,1|N<2>,2|O<2>,3|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]O[6])(O[6]C[6,6a]){1|N<2>,1|N<3>,1|O<2>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6,6a])(N[5a,6,6]C[5a,6]B[3x6])(N[6]C[5a,6]){1|N<2>,2|N<3>,2|O<2>,3|C<3>}	132.3565	0.292	2	132.3565	0.085	2	132.3565	0.085	2	132.3565	0.085	2	132.3565	0.085	2	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a,6a]-3:C[6,6a]-3:	C[6,6a,6a]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[6,6a,6a]C[6])	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6]C[6]O)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6,6a])(C[5a,6a]C[5a,6a,6a]C[5a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[6,6a,6a]C[6]){1|C<4>,1|O<1>,7|C<3>}	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6]C[6]O){1|C<4>,8|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6,6a])(C[5a,6a]C[5a,6a,6a]C[5a])(C[5a,6a,6a]C[5a,6a,6a]2){1|O<1>,8|C<3>}	129.2960	0.000	1	129.2960	0.000	1	129.2960	0.000	1	134.8401	3.518	15	135.6310	4.282	27	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]O[5a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]O[5a])(C[6,6a]C[6,6a]C[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]O[5a])(C[6,6a]C[6,6a]C[6]){1|H<1>,1|O<1>,6|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]O[5a])(C[6,6a]C[6,6a]C[6]){1|H<1>,1|O<1>,6|C<3>}	135.6375	0.339	2	135.6375	0.115	2	135.6375	0.115	2	134.8401	3.518	15	135.6310	4.282	27	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6]){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2){1|C<4>,1|H<1>,7|C<3>}	136.0690	0.000	1	136.0690	0.000	1	136.0690	0.000	1	134.8401	3.518	15	135.6310	4.282	27	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6]){2|H<1>,7|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6]C){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	135.4280	0.000	1	135.4280	0.000	1	135.4280	0.000	1	134.8401	3.518	15	135.6310	4.282	27	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a]-3:C[6,6a]-3:N[6]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]N[6])	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]N[6]){1|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a]){1|H<1>,1|N<3>,2|C<4>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	134.2815	0.030	2	134.2815	0.001	2	134.0790	0.123	3	134.8401	3.518	15	135.6310	4.282	27	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a]-3:C[6,6a]-3:N[6]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]N[6])	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])(N[6]C[6]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]N[6]){3|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])(N[6]C[6]H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	133.6740	0.000	1	133.6740	0.000	1	134.0790	0.123	3	134.8401	3.518	15	135.6310	4.282	27	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6,6a]C[6,6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6]){2|O<2>,3|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	135.9060	0.148	2	135.9060	0.022	2	134.7555	1.772	4	134.8401	3.518	15	135.6310	4.282	27	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]O[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6,6a]C[6,6a]2){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]O[6]){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	133.6050	0.020	2	133.6050	0.000	2	134.7555	1.772	4	134.8401	3.518	15	135.6310	4.282	27	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:C[5a,6a]-3:	C[6,6a,6a]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a,6a]C[6])(C[5a,6a]C[6,6a]N[5a])	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]2)(C[6]N[6]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a,6a]C[6])(C[5a,6a]C[6,6a]N[5a]){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]2)(C[6]N[6]O){1|C<4>,1|N<3>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	136.6660	0.257	2	136.6660	0.066	2	136.6660	0.066	2	134.8401	3.518	15	135.6310	4.282	27	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6,6]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[6,6a]C[5a,6,6a]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5a,6a]C[5a,6a]2)(C[6,6]N[6,6]C[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[6,6a]C[5a,6,6a]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a]){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5a,6a]C[5a,6a]2)(C[6,6]N[6,6]C[6]){1|B<4>,1|H<1>,1|N<3>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	135.9420	0.000	1	135.9420	0.000	1	135.9420	0.000	1	134.8401	3.518	15	135.6310	4.282	27	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])(C[6]O[6]HH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6]){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])(C[6]O[6]HH){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	134.8760	0.000	1	134.8760	0.000	1	135.8143	0.227	10	136.6196	3.724	12	135.6310	4.282	27	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]N[6])(C[6]C[5,6]CC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6]){1|N<3>,2|H<1>,3|C<3>,4|C<4>}	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]N[6])(C[6]C[5,6]CC){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	135.7797	0.304	3	135.7797	0.092	3	135.8143	0.227	10	136.6196	3.724	12	135.6310	4.282	27	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]N[6])(C[6]C[6,6]CC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6]){1|N<2>,2|H<1>,3|C<3>,4|C<4>}	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]N[6])(C[6]C[6,6]CC){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	135.8910	0.000	1	136.0960	0.110	5	135.8143	0.227	10	136.6196	3.724	12	135.6310	4.282	27	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]N[6])(C[6]C[6,6]CC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6]){1|N<3>,2|H<1>,3|C<3>,4|C<4>}	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]N[6])(C[6]C[6,6]CC){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	136.1472	0.359	4	136.0960	0.110	5	135.8143	0.227	10	136.6196	3.724	12	135.6310	4.282	27	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6]){1|N<3>,2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC){1|H<1>,1|N<3>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	135.4480	0.000	1	135.4480	0.000	1	135.8143	0.227	10	136.6196	3.724	12	135.6310	4.282	27	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a])(C[6,6a]C[6,6a]C[6]){1|H<1>,2|O<2>,6|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6]OO){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a]){1|C<4>,2|H<1>,5|C<3>}	140.6460	0.140	2	140.6460	0.020	2	140.6460	0.020	2	136.6196	3.724	12	135.6310	4.282	27	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a,6a]-3:C[6,6a]-3:C[5a]-3:	C[6,6a,6a]-3:C[5a,6a]-3:Se[6]-2:	C[5a,6a]-3:C[5a,6a]-3:O-1:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[6,6a,6a]Se[6])(C[5a]C[5a,6a]O)	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a]C[5a,6a,6a]C[5a])(Se[6]C[6,6a])	C[5a](C[5a,6a]C[5a,6a,6a]C[6,6a])2(O)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[6,6a,6a]Se[6])(C[5a]C[5a,6a]O){6|C<3>}	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a]C[5a,6a,6a]C[5a])(Se[6]C[6,6a]){1|O<1>,7|C<3>}	C[5a](C[5a,6a]C[5a,6a,6a]C[6,6a])2(O){1|Se<2>,1|C<4>,4|C<3>}	126.6560	0.000	1	126.6560	0.000	1	126.6560	0.000	1	130.6870	32.498	2	134.7134	10.285	14	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:O[6]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]O[6])(C[5a]C[5a]H)	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[5,6]C[6a])(O[6]C[6])	C[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]O[6])(C[5a]C[5a]H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[5,6]C[6a])(O[6]C[6]){2|H<1>,2|N<3>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(H){1|H<1>,1|O<2>,2|C<3>}	134.7180	0.000	1	134.7180	0.000	1	134.7180	0.000	1	130.6870	32.498	2	134.7134	10.285	14	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[6,6a]-3:C[5a]-3:	C[6,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6,6a]C[6,6a]2)(C[5a]N[5a]C)	C[6,6a](C[6,6a]C[6,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6a]C[6])	C[5a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]N[5a])(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6,6a]C[6,6a]2)(C[5a]N[5a]C){5|C<3>}	C[6,6a](C[6,6a]C[6,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6a]C[6]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|N<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]N[5a])(CH3){1|N<2>,3|C<3>}	138.5030	0.000	1	138.5030	0.000	1	138.5030	0.000	1	138.5030	0.000	1	134.7134	10.285	14	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:N[6]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[5a]C[5a]H)	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	C[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[5a]C[5a]H){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){1|N<3>,3|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(H){1|H<1>,1|N<3>,2|C<3>}	134.3730	0.000	1	134.3730	0.000	1	135.9370	4.892	2	135.9370	4.892	2	134.7134	10.285	14	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:N[6]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6,6a]N[6])(C[5a]C[5a]H)	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])	C[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6,6a]N[6])(C[5a]C[5a]H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6a]C[6])(N[6]C[6a]C[6]){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]O[5a])(H){1|N<3>,4|C<3>}	137.5010	0.000	1	137.5010	0.000	1	135.9370	4.892	2	135.9370	4.892	2	134.7134	10.285	14	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6,6a]C[6])(C[5a]C[5a]C)	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]O[5a]C)(CCHH)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6,6a]C[6])(C[5a]C[5a]C){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]O[5a]C)(CCHH){3|C<3>}	135.9940	0.000	1	135.9940	0.000	1	135.9940	0.000	1	135.9940	0.000	1	134.7134	10.285	14	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a]	3:3:3:	3:3:4:	3:2:1:	C[5a,6a]-3:C[6,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(C[5a]N[5a]H)	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6a]N[6])(C[6]C[6,6]C[6]H)	C[5a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6a]N[6])(C[6]C[6,6]C[6]H){1|N<2>,1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]N[5a])(H){1|C<4>,1|H<1>,2|C<3>}	134.8590	0.000	1	134.8590	0.000	1	134.8590	0.000	1	134.8590	0.000	1	134.7134	10.285	14	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a]	3:3:3:	3:3:4:	3:2:4:	C[5a,6a]-3:C[6,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6,6a]C[6,6a]C[6])(C[5a]N[5a]C)	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[5a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]N[5a])(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6,6a]C[6,6a]C[6])(C[5a]N[5a]C){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|S<2>,2|N<2>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]N[5a])(CH3){1|C<4>,1|N<2>,2|C<3>}	136.5150	0.000	1	136.5150	0.000	1	136.5150	0.000	1	136.5150	0.000	1	134.7134	10.285	14	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6a,6a]-3:C[6,6a]-3:C[5a]-3:	C[6,6a,6a]-3:C[5a,6a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6a]-3:O-1:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[6,6a,6a]C[6])(C[5a]C[5a,6a]O)	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a]C[5a,6a,6a]C[5a])(C[6]C[6,6a]C[6a]C)	C[5a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a,6a]C[6,6a])(O)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[6,6a,6a]C[6])(C[5a]C[5a,6a]O){1|C<4>,7|C<3>}	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a]C[5a,6a,6a]C[5a])(C[6]C[6,6a]C[6a]C){1|O<1>,9|C<3>}	C[5a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a,6a]C[6,6a])(O){1|C<4>,5|C<3>}	131.0550	0.000	1	131.0550	0.000	1	131.0550	0.000	1	131.0550	0.000	1	134.7134	10.285	14	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a]	3:3:3:	3:4:3:	3:2:1:	C[5a,6a]-3:C[6,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6]-4:C[6,6a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(C[5a]N[5a]H)	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6])	C[5a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6]){1|C<4>,1|N<2>,1|N<3>,3|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]N[5a])(H){1|C<4>,1|H<1>,2|C<3>}	135.8800	0.000	1	135.1665	1.018	2	136.0763	2.992	3	136.0763	2.992	3	134.7134	10.285	14	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a]	3:3:3:	3:4:3:	3:2:1:	C[5a,6a]-3:C[6,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6]-4:C[6,6a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(C[5a]N[5a]H)	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6])	C[5a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(C[5a]N[5a]H){1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6]){1|N<2>,1|N<3>,3|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]N[5a])(H){1|C<4>,1|H<1>,2|C<3>}	134.4530	0.000	1	135.1665	1.018	2	136.0763	2.992	3	136.0763	2.992	3	134.7134	10.285	14	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a]	3:3:3:	3:4:3:	3:2:1:	C[5a,6a]-3:C[6,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6]-4:C[6,6a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(C[5a]N[5a]H)	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6])	C[5a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(C[5a]N[5a]H){1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6]){1|N<2>,1|N<3>,3|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]N[5a])(H){1|C<4>,1|H<1>,2|C<3>}	137.8960	0.000	1	137.8960	0.000	1	136.0763	2.992	3	136.0763	2.992	3	134.7134	10.285	14	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a]	3:3:3:	3:4:3:	3:3:1:	C[5a,6a,6a]-3:C[6,6a]-3:C[5a]-3:	C[6,6a,6a]-3:C[6,6]-4:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:O-1:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[6,6a,6a]C[6,6])(C[5a]C[5a,6a]O)	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6]C[6,6,6a]C[6a]C[6])(C[5a,6a]C[5a,6a,6a]C[5a])	C[5a](C[5a,6a]C[5a,6a,6a]C[6,6a])2(O)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[6,6a,6a]C[6,6])(C[5a]C[5a,6a]O){8|C<3>}	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6]C[6,6,6a]C[6a]C[6])(C[5a,6a]C[5a,6a,6a]C[5a]){10|C<3>,1|N<2>,1|O<1>}	C[5a](C[5a,6a]C[5a,6a,6a]C[6,6a])2(O){1|Se<2>,1|C<4>,4|C<3>}	131.0550	0.000	1	131.0550	0.000	1	131.0550	0.000	1	133.7925	14.988	2	134.7134	10.285	14	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[4,6]-4:C[6,6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[6,6a]C[6,6a]C[4,6])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[4,6]C[4,6]C[4]O)(C[6,6a]C[6a]C[6])	C[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[6,6a]C[6,6a]C[4,6])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[4,6]C[4,6]C[4]O)(C[6,6a]C[6a]C[6]){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	136.5300	0.000	1	136.5300	0.000	1	136.5300	0.000	1	133.7925	14.988	2	134.7134	10.285	14	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,5a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5,5a]C[5a]C[5])(C[5]C[6a]C[5])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a]){3|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5,5a]C[5a]C[5])(C[5]C[6a]C[5]){1|H<1>,7|C<3>}	134.2000	0.000	1	134.2000	0.000	1	134.2000	0.000	1	132.4645	1.361	4	132.6104	1.128	5	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5,5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5,5a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[5,5a]C[5,5a]2)	C[6a,6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5,5a]C[5a,6a]C[5,5a])(C[5,5a]S[5a]C[5])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[5,5a]C[5,5a]2){1|C<4>,2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|S<2>,3|H<1>,4|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5,5a]C[5a,6a]C[5,5a])(C[5,5a]S[5a]C[5]){1|S<2>,7|C<3>}	131.7100	0.000	1	131.7100	0.000	1	131.8860	0.034	3	132.4645	1.361	4	132.6104	1.128	5	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5,5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5,5a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[5,5a]C[5,5a]2)	C[6a,6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5,5a]C[5a,6a]C[5,5a])(C[5,5a]S[5a]P[5])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[5,5a]C[5,5a]2){1|P<4>,2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|S<2>,3|H<1>,4|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5,5a]C[5a,6a]C[5,5a])(C[5,5a]S[5a]P[5]){1|O<1>,1|S<2>,6|C<3>}	131.9740	0.148	2	131.9740	0.022	2	131.8860	0.034	3	132.4645	1.361	4	132.6104	1.128	5	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5,5a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5,5a]-3:C[5]-4:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(C[5a,6a]C[5a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]CH)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(C[5a,6a]C[5a]C[6a]){1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,1|N<3>,3|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]CH){6|C<3>}	133.1940	0.000	1	133.1940	0.000	1	133.1940	0.000	1	133.1940	0.000	1	132.6104	1.128	5	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:N[5a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C[6a])	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,8|C<3>}	C[6a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,2|N<3>,4|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C[6a]){8|C<3>}	135.6360	0.000	1	135.6360	0.000	1	135.6360	0.000	1	132.6878	2.545	6	132.6878	2.545	6	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,5a]-3:C[5a]-3:	C[5a,6a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,5a]B[5a]C[5a])(C[5a]N[5a]H)	C[5a,6a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a]){1|B<4>,1|N<3>,3|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,5a]B[5a]C[5a])(C[5a]N[5a]H){1|H<1>,6|C<3>}	133.3990	0.000	1	133.3990	0.000	1	133.3990	0.000	1	132.6878	2.545	6	132.6878	2.545	6	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a,5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[5a,5a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[5a,5a]C[5a,5a]2)	C[6a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]N[5a]S[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[5a,5a]C[5a,5a]2){1|N<3>,2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|S<2>,3|H<1>,4|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]N[5a]S[5a]){1|S<2>,6|C<3>}	131.7730	0.244	4	131.7730	0.059	4	131.7730	0.059	4	132.6878	2.545	6	132.6878	2.545	6	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[6a,6a]-3:O[6a]-2:	C[5a,6a]-3:N[5a,6,6]-3:N[6]-2:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a,6])(C[6a,6a]C[6a,6a]O[6a])(C[5a,6]N[5a,6,6]N[6])	C[6a,6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a,6a]O[6a])(O[6a]C[6a,6a])	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6,6]C[5a,6]B[3x6])(N[6]C[5a,6])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a,6])(C[6a,6a]C[6a,6a]O[6a])(C[5a,6]N[5a,6,6]N[6]){1|B<4>,1|N<2>,2|O<2>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a,6a]O[6a])(O[6a]C[6a,6a]){1|N<2>,1|N<3>,1|O<2>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6,6]C[5a,6]B[3x6])(N[6]C[5a,6]){1|N<2>,2|N<3>,2|O<2>,3|C<3>}	132.0665	0.295	4	132.0665	0.087	4	132.0665	0.087	4	132.0665	0.087	4	133.3975	4.468	19	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6]	3:3:3:	3:3:2:	3:3:4:	C[6a,6a]-3:C[5a,6]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])	C[6a,6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a]){2|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH){1|C<3>,1|C<4>,2|N<2>,4|H<1>}	131.7570	0.000	1	131.7570	0.000	1	131.7570	0.000	1	131.7570	0.000	1	133.3975	4.468	19	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6]-3:N[6]-2:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6]N[5a,6]N[6])	C[6a,6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a]B[6])(N[6]C[5a,6])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6]N[5a,6]N[6]){1|B<4>,1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a]B[6])(N[6]C[5a,6]){1|N<3>,2|F<1>,5|C<3>}	131.4580	0.000	1	131.4580	0.000	1	131.4580	0.000	1	131.9886	0.303	7	133.3975	4.468	19	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6,6]-3:N[6]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6,6]C[5a,6]B[3x6])(N[6]C[5a,6])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a]){1|B<4>,1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6,6]C[5a,6]B[3x6])(N[6]C[5a,6]){1|N<2>,1|O<2>,2|N<3>,4|C<3>}	132.0770	0.546	6	132.0770	0.298	6	132.0770	0.298	6	131.9886	0.303	7	133.3975	4.468	19	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2){1|C<4>,1|H<1>,7|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	136.3720	0.335	2	136.3720	0.112	2	136.3720	0.112	2	135.9577	2.641	6	133.3975	4.468	19	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])	C[6a,6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]O[5a]C[6])	C[5a,6a](C[5a,6]C[5a,6]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a]){1|C<4>,2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]O[5a]C[6]){1|O<2>,2|H<1>,6|C<3>}	138.2150	0.000	1	138.2150	0.000	1	138.2150	0.000	1	135.9577	2.641	6	133.3975	4.468	19	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6]-3:N[5a,6]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6]N[5a,6]C[6])	C[6a,6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6]N[5a,6]C[6]){1|B<4>,1|H<1>,7|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6]){1|N<3>,2|F<1>,7|C<3>}	134.0825	0.422	2	134.0825	0.178	2	134.0825	0.178	2	135.9577	2.641	6	133.3975	4.468	19	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])	C[6a,6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]O[5a]C[6])(C[6]C[6,6a]O)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a]){1|O<1>,2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]O[5a]C[6])(C[6]C[6,6a]O){1|O<1>,5|C<3>}	136.6220	0.000	1	136.6220	0.000	1	136.6220	0.000	1	135.9577	2.641	6	133.3975	4.468	19	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6]C[5a,6]C[6])	C[6a,6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]O[5a]C[6])(C[6]C[6]HO)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6]C[5a,6]C[6]){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]O[5a]C[6])(C[6]C[6]HO){1|C<4>,3|C<3>,4|H<1>}	134.8630	0.000	1	134.8630	0.000	1	134.8630	0.000	1	134.8630	0.000	1	133.3975	4.468	19	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])	C[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a]){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]){1|N<3>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	133.1183	0.700	12	133.1183	0.490	12	132.6060	2.111	14	132.7040	3.538	17	134.3796	6.731	131	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]N[6a])	C[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a,6a]2)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]N[6a]){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a,6a]2)(N[6a]C[6a]){1|H<1>,1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	129.5320	0.058	2	129.5320	0.003	2	132.6060	2.111	14	132.7040	3.538	17	134.3796	6.731	131	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]N[6a]O[5a])	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]N[6a]O[5a]){1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|O<2>,2|H<1>,2|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<2>}	137.5120	0.000	1	137.5120	0.000	1	137.5120	0.000	1	132.7040	3.538	17	134.3796	6.731	131	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a]){1|H<1>,1|N<2>,2|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	130.9860	0.095	2	130.9860	0.009	2	130.9860	0.009	2	132.7040	3.538	17	134.3796	6.731	131	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6,6a]C[6,6a,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6,6a]C[6,6a,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,8|C<3>}	C[6a,6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,8|C<3>}	137.5220	0.000	1	137.5220	0.000	1	137.5220	0.000	1	134.6295	6.757	114	134.3796	6.731	131	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a,6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a]){2|C<4>,2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a,6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	135.7870	0.000	1	135.7450	0.004	2	135.7450	0.004	2	134.6295	6.757	114	134.3796	6.731	131	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a,6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a]){2|C<4>,2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|Cl<1>,1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a,6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	135.7030	0.000	1	135.7450	0.004	2	135.7450	0.004	2	134.6295	6.757	114	134.3796	6.731	131	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|B<4>,1|H<1>,7|C<3>}	C[6a,6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a,6]C[6a]){1|B<4>,2|H<1>,6|C<3>}	137.3070	0.000	1	137.3070	0.000	1	137.3070	0.000	1	134.6295	6.757	114	134.3796	6.731	131	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[3x6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,8|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[3x6a]C[6a]){1|H<1>,9|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	136.7770	0.000	1	136.7770	0.000	1	136.7770	0.000	1	134.6295	6.757	114	134.3796	6.731	131	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,8|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]2){9|C<3>}	135.7860	0.000	1	135.7860	0.000	1	135.7860	0.000	1	134.6295	6.757	114	134.3796	6.731	131	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a,6a]C[5,6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a,6a]C[5,6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a]){2|H<1>,7|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	136.3835	0.146	2	136.3835	0.021	2	137.4888	0.817	6	134.6295	6.757	114	134.3796	6.731	131	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a]){2|H<1>,7|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	138.0415	0.365	4	138.0415	0.133	4	137.4888	0.817	6	134.6295	6.757	114	134.3796	6.731	131	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,8|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a,6a]C[5a,6a]2){1|H<1>,9|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	135.9390	0.597	3	135.9390	0.356	3	135.9390	0.356	3	134.6295	6.757	114	134.3796	6.731	131	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[3x6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]2)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a]){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]2)(C[6a]N[6a]O){1|C<4>,1|N<3>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	137.3605	0.441	2	137.3605	0.194	2	136.1887	4.217	3	134.6295	6.757	114	134.3796	6.731	131	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[3x6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[3x6a]C[6a])	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[3x6a]C[6a]){2|H<1>,6|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,1|O<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	133.8450	0.000	1	133.8450	0.000	1	136.1887	4.217	3	134.6295	6.757	114	134.3796	6.731	131	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2){1|C<4>,1|H<1>,7|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2){1|N<3>,2|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2){1|C<4>,1|H<1>,7|C<3>}	136.0505	0.500	2	136.0505	0.250	2	136.7700	0.435	6	134.6295	6.757	114	134.3796	6.731	131	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a])(C[6a,6a]C[6a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a])(C[6a,6a]C[6a,6a]2){1|H<1>,7|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2){1|O<2>,2|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a])(C[6a,6a]C[6a,6a]2){1|H<1>,7|C<3>}	137.1298	0.351	4	137.1298	0.123	4	136.7700	0.435	6	134.6295	6.757	114	134.3796	6.731	131	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2){1|C<4>,1|H<1>,7|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2){1|N<3>,2|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,7|C<3>}	130.4200	0.000	1	130.4200	0.000	1	133.1033	6.180	3	134.6295	6.757	114	134.3796	6.731	131	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2){1|C<4>,2|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2){1|N<3>,2|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H){1|C<4>,1|H<1>,5|C<3>}	133.5620	0.000	1	133.5620	0.000	1	133.1033	6.180	3	134.6295	6.757	114	134.3796	6.731	131	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2){1|C<4>,2|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2){1|N<3>,2|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	135.3280	0.000	1	135.3280	0.000	1	133.1033	6.180	3	134.6295	6.757	114	134.3796	6.731	131	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2){1|C<4>,1|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6]){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	137.0080	0.000	1	137.0080	0.000	1	137.0080	0.000	1	134.6295	6.757	114	134.3796	6.731	131	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|S<4>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a,6a]2){1|H<1>,1|N<3>,8|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	133.6120	0.000	1	133.6120	0.000	1	134.2765	0.883	2	134.6295	6.757	114	134.3796	6.731	131	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2){1|C<4>,2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2){1|N<3>,2|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	134.9410	0.000	1	134.9410	0.000	1	134.2765	0.883	2	134.6295	6.757	114	134.3796	6.731	131	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6,6a]C[6,6a,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,8|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,8|C<3>}	134.5150	0.000	1	134.5150	0.000	1	134.5150	0.000	1	134.6295	6.757	114	134.3796	6.731	131	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,7|C<3>}	132.9685	0.156	2	132.9685	0.024	2	131.3307	0.707	12	134.6295	6.757	114	134.3796	6.731	131	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|F<1>,1|H<1>,1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,7|C<3>}	130.6475	0.028	2	131.0031	0.146	10	131.3307	0.707	12	134.6295	6.757	114	134.3796	6.731	131	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|S<2>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,7|C<3>}	131.0920	0.377	8	131.0031	0.146	10	131.3307	0.707	12	134.6295	6.757	114	134.3796	6.731	131	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|N<3>,3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	133.9010	0.010	2	133.9010	0.000	2	132.0856	2.001	8	134.6295	6.757	114	134.3796	6.731	131	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a]){1|S<2>,2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|S<2>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	130.9435	0.606	2	130.9435	0.367	2	132.0856	2.001	8	134.6295	6.757	114	134.3796	6.731	131	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){2|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	132.6780	0.000	1	132.6780	0.000	1	132.0856	2.001	8	134.6295	6.757	114	134.3796	6.731	131	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|H<1>,7|C<3>}	132.6500	0.000	1	132.6500	0.000	1	132.0856	2.001	8	134.6295	6.757	114	134.3796	6.731	131	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	131.3980	0.000	1	131.3980	0.000	1	132.0856	2.001	8	134.6295	6.757	114	134.3796	6.731	131	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a]){2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|S<2>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,4|C<3>}	130.2700	0.000	1	130.2700	0.000	1	132.0856	2.001	8	134.6295	6.757	114	134.3796	6.731	131	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,8|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a]){2|H<1>,7|C<3>}	133.4260	0.000	1	133.4260	0.000	1	133.4260	0.000	1	134.6295	6.757	114	134.3796	6.731	131	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a,6a]C[6a,6a]2){2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2){1|S<2>,2|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	130.2440	0.000	1	130.2440	0.000	1	131.0825	1.406	2	134.6295	6.757	114	134.3796	6.731	131	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[5a,6a]C[5a,6a]2){1|C<4>,1|H<1>,1|O<1>,2|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	131.9210	0.000	1	131.9210	0.000	1	131.0825	1.406	2	134.6295	6.757	114	134.3796	6.731	131	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])	C[6a,6a](C[5a,6a]C[5a,6a]2)2(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a]){2|H<1>,7|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]2)2(C[6a,6a]C[6a]2){2|H<1>,2|N<3>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a]){3|H<1>,6|C<3>}	135.8290	0.246	2	135.8290	0.061	2	136.6924	5.633	12	134.6295	6.757	114	134.3796	6.731	131	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a])	C[6a,6a](C[5a,6a]C[5a,6a]2)2(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a]){1|H<1>,7|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]2)2(C[6a,6a]C[6a]2){2|H<1>,2|O<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a]){1|H<1>,7|C<3>}	138.3505	0.056	2	138.3505	0.003	2	136.6924	5.633	12	134.6295	6.757	114	134.3796	6.731	131	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a])	C[6a,6a](C[5a,6a]C[5a,6a]2)2(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a]){1|H<1>,7|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]2)2(C[6a,6a]C[6a]2){2|H<1>,2|O<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a]){2|H<1>,6|C<3>}	137.9992	0.167	6	137.9992	0.028	6	136.6924	5.633	12	134.6295	6.757	114	134.3796	6.731	131	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])	C[6a,6a](C[5a,6a]C[5a,6a]2)2(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a]){1|H<1>,7|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]2)2(C[6a,6a]C[6a]2){2|H<1>,2|S<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a]){2|H<1>,6|C<3>}	131.9775	0.250	2	131.9775	0.062	2	136.6924	5.633	12	134.6295	6.757	114	134.3796	6.731	131	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a,6]C[6a]){1|B<4>,2|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|B<4>,1|H<1>,7|C<3>}	135.8470	0.000	1	135.8470	0.000	1	135.8470	0.000	1	134.6295	6.757	114	134.3796	6.731	131	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a])(C[6,6a]C[6,6a]C[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a]){1|C<4>,2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a])(C[6,6a]C[6,6a]C[6]){1|H<1>,2|O<2>,6|C<3>}	139.1285	0.572	2	139.1285	0.327	2	139.1285	0.327	2	134.6295	6.757	114	134.3796	6.731	131	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a]){2|H<1>,7|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,8|C<3>}	135.6800	0.000	1	135.6800	0.000	1	135.6800	0.000	1	134.6295	6.757	114	134.3796	6.731	131	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a]){1|C<4>,3|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){2|H<1>,5|C<3>}	133.3020	0.000	1	133.3020	0.000	1	133.9791	2.412	12	134.6295	6.757	114	134.3796	6.731	131	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a]){1|S<4>,3|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	131.5570	0.000	1	132.9742	1.741	6	133.9791	2.412	12	134.6295	6.757	114	134.3796	6.731	131	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a]){1|S<4>,3|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	133.1620	0.000	1	132.9742	1.741	6	133.9791	2.412	12	134.6295	6.757	114	134.3796	6.731	131	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a]){2|C<4>,2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	132.0400	0.000	2	132.9742	1.741	6	133.9791	2.412	12	134.6295	6.757	114	134.3796	6.731	131	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a]){3|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	134.7670	0.000	1	132.9742	1.741	6	133.9791	2.412	12	134.6295	6.757	114	134.3796	6.731	131	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a]){3|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	134.2790	0.000	1	132.9742	1.741	6	133.9791	2.412	12	134.6295	6.757	114	134.3796	6.731	131	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a]){1|O<2>,2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H){1|H<1>,5|C<3>}	135.1630	0.000	1	135.1630	0.000	1	133.9791	2.412	12	134.6295	6.757	114	134.3796	6.731	131	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a]){2|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	134.1460	0.000	1	134.1460	0.000	1	133.9791	2.412	12	134.6295	6.757	114	134.3796	6.731	131	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a]){1|C<4>,2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	136.2040	0.000	1	135.7643	0.161	3	133.9791	2.412	12	134.6295	6.757	114	134.3796	6.731	131	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a]){1|C<4>,3|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	135.5445	0.179	2	135.7643	0.161	3	133.9791	2.412	12	134.6295	6.757	114	134.3796	6.731	131	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a]){3|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a]){2|H<1>,7|C<3>}	135.2555	0.405	2	135.2555	0.164	2	135.5735	5.129	11	134.6295	6.757	114	134.3796	6.731	131	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a]){1|C<2>,1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C){1|C<2>,1|H<1>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a]){1|C<2>,1|H<1>,6|C<3>}	137.6970	0.000	1	137.6970	0.000	1	135.5735	5.129	11	134.6295	6.757	114	134.3796	6.731	131	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a]){2|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a]){1|H<1>,7|C<3>}	136.7585	0.449	6	136.7585	0.201	6	135.5735	5.129	11	134.6295	6.757	114	134.3796	6.731	131	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a]){2|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|S<2>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a]){1|H<1>,7|C<3>}	131.2750	0.163	2	131.2750	0.026	2	135.5735	5.129	11	134.6295	6.757	114	134.3796	6.731	131	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5,6a]N[5a])	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5,6a]N[5a]){3|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	133.7510	0.000	1	133.7510	0.000	1	133.7081	2.793	8	134.6295	6.757	114	134.3796	6.731	131	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5,6a]O[5a])	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5,6a]O[5a]){2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	134.4230	0.000	1	134.4230	0.000	1	133.7081	2.793	8	134.6295	6.757	114	134.3796	6.731	131	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){3|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	133.0130	0.000	1	133.0130	0.000	1	133.7081	2.793	8	134.6295	6.757	114	134.3796	6.731	131	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a]){1|C<4>,3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	134.0450	0.000	1	134.3595	0.198	2	133.7081	2.793	8	134.6295	6.757	114	134.3796	6.731	131	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a]){4|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	134.6740	0.000	1	134.3595	0.198	2	133.7081	2.793	8	134.6295	6.757	114	134.3796	6.731	131	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a]){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]O){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	136.6080	0.000	1	136.6080	0.000	1	133.7081	2.793	8	134.6295	6.757	114	134.3796	6.731	131	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a]){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	131.5755	0.037	2	131.5755	0.001	2	133.7081	2.793	8	134.6295	6.757	114	134.3796	6.731	131	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a]){2|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	136.3850	0.000	1	136.3850	0.000	1	136.6930	0.190	2	134.6295	6.757	114	134.3796	6.731	131	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a]){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	137.0010	0.000	1	137.0010	0.000	1	136.6930	0.190	2	134.6295	6.757	114	134.3796	6.731	131	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2){2|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2){1|N<2>,3|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,5|C<3>}	139.0740	0.000	1	139.0740	0.000	1	139.0740	0.000	1	134.6295	6.757	114	134.3796	6.731	131	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2){2|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,1|S<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2){1|H<1>,1|S<2>,6|C<3>}	130.4778	0.553	4	130.4778	0.306	4	130.4778	0.306	4	134.6295	6.757	114	134.3796	6.731	131	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[6,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a]){2|H<1>,7|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2){1|N<3>,2|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	134.2090	0.000	1	134.2090	0.000	1	134.2090	0.000	1	134.6295	6.757	114	134.3796	6.731	131	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[6a,6a]-3:C[3x6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])	C[6a,6a](C[6a,6a]C[5a,6a]C[3x6a])(C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a]){1|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[3x6a])(C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]2){1|O<2>,9|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	134.5288	0.853	4	134.5288	0.728	4	134.5288	0.728	4	134.6295	6.757	114	134.3796	6.731	131	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[3x6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[3x6a]C[3x6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a]){1|C<4>,1|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[3x6a]C[3x6a]2){1|H<1>,1|N<3>,8|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	133.8040	0.000	1	133.8040	0.000	1	133.8040	0.000	1	134.6295	6.757	114	134.3796	6.731	131	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:2:	3:2:2:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-2:C-2:	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(N[5a]N[5a])(CC)	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[6a]N[5a])(C[5a]N[5a]C){1|N<2>,3|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]){1|C<2>,1|H<1>,2|N<2>,3|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(N[5a]N[5a])(CC){1|N<2>,2|C<3>}	136.2660	0.000	1	136.2660	0.000	1	136.2660	0.000	1	136.2660	0.000	1	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]N[6a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5a,6a]N[6a])(N[6a]C[5a,6a])	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]N[6a])(C[5a]C[5a]H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5a,6a]N[6a])(N[6a]C[5a,6a]){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]H)(H){1|N<2>,2|C<3>}	127.1580	0.057	2	127.1580	0.003	2	127.9101	0.862	12	129.0719	8.375	15	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]N[6a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5a,6a]N[6a])(N[6a]C[6a,6a])	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]N[6a])(C[5a]C[5a]H){1|C<4>,1|N<2>,1|S<2>,2|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5a,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,1|S<2>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]C)(H){1|N<2>,2|C<3>}	128.1170	0.229	6	128.1170	0.052	6	127.9101	0.862	12	129.0719	8.375	15	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]N[6a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5a,6a]N[6a])(N[6a]C[6a,6a])	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]N[6a])(C[5a]C[5a]H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5a,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,1|S<2>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]H)(H){1|N<2>,2|C<3>}	127.9758	1.613	4	127.9758	2.603	4	127.9101	0.862	12	129.0719	8.375	15	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a])	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H){1|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a]){1|I<1>,1|S<2>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]H)(H){1|N<2>,2|C<3>}	129.5770	0.000	1	129.5770	0.000	1	129.5770	0.000	1	129.0719	8.375	15	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:O[6a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]O[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(O[6a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]O[5a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]O[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(O[6a]C[6a]){1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]O[5a]H)(H){1|O<2>,2|C<3>}	135.0660	0.000	1	135.7900	1.048	2	135.7900	1.048	2	129.0719	8.375	15	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:O[6a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]O[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(O[6a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]O[5a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]O[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(O[6a]C[6a]){1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]O[5a]H)(H){1|O<2>,2|C<3>}	136.5140	0.000	1	135.7900	1.048	2	135.7900	1.048	2	129.0719	8.375	15	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a]){1|N<2>,5|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,2|N<2>,4|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,2|H<1>,4|C<3>}	138.1300	0.000	1	138.1300	0.000	1	138.1300	0.000	1	138.1300	0.000	1	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:2:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:O[6a]-2:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[6a,6a]C[6a,6a]O[6a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(O[6a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]H)(CCC)	C[5a,6a](C[6a,6a]C[6a,6a]O[6a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C){2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(O[6a]C[6a]){1|C<4>,1|H<1>,1|O<1>,1|S<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]H)(CCC){1|O<2>,2|C<3>}	130.9140	0.000	1	130.9140	0.000	1	130.9140	0.000	1	130.9140	0.000	1	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:2:	3:3:4:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]C)(CH3)	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C){1|C<4>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]C)(CH3){1|C<3>,2|N<2>}	131.7010	0.007	2	131.6530	0.007	3	131.6530	0.007	3	131.6530	0.007	3	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:2:	3:3:4:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]C)(CH3)	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C){1|C<4>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<3>,1|N<2>,1|O<1>,1|S<2>,2|C<4>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]C)(CH3){1|C<3>,2|N<2>}	131.5570	0.000	1	131.6530	0.007	3	131.6530	0.007	3	131.6530	0.007	3	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(N[5a]N[5a])(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]N[5a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<2>,2|C<3>,2|N<2>,3|H<1>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(N[5a]N[5a])(H){3|C<3>}	137.5930	0.000	1	137.8170	0.100	2	138.1370	0.357	3	138.1370	0.357	3	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(N[5a]N[5a])(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]N[5a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|N<2>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(N[5a]N[5a])(H){3|C<3>}	138.0410	0.000	1	137.8170	0.100	2	138.1370	0.357	3	138.1370	0.357	3	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(N[5a]N[5a])(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]N[5a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){2|C<3>,2|N<2>,3|H<1>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(N[5a]N[5a])(H){3|C<3>}	138.7770	0.000	1	138.7770	0.000	1	138.1370	0.357	3	138.1370	0.357	3	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:2:2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:O-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(OH)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]N[5a]O){1|N<2>,2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(OH){1|H<1>,3|C<3>}	136.3655	0.011	2	136.3655	0.000	2	136.3655	0.000	2	136.3655	0.000	2	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a,6a]-3:C[6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(C[5a]C[6a]O[5a])	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a,6a]C[6a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(C[5a]C[6a]O[5a]){1|H<1>,7|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H){3|O<2>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a,6a]C[6a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	137.4490	0.000	1	137.4490	0.000	1	137.4490	0.000	1	137.2278	13.913	4	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:O[5a]-2:C[6]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]O[5a]C[6])	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)	C[5a](C[5a,6a]C[5a,6a,6a]C[6a,6a])(O[5a]C[5a,6a])(C[6]C[6,6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]O[5a]C[6]){1|N<3>,1|O<2>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a,6a]C[6a,6a])(O[5a]C[5a,6a])(C[6]C[6,6a]2){8|C<3>}	140.9270	0.000	1	140.9270	0.000	1	140.9270	0.000	1	137.2278	13.913	4	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:S[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a,6a]C[6a,6a]2)(C[5a]S[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]O[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(S[5a]C[5a])(CCC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a,6a]C[6a,6a]2)(C[5a]S[5a]C){1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]O[6a]){1|S<2>,2|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(S[5a]C[5a])(CCC){1|N<3>,3|C<3>}	132.0800	0.000	1	132.0800	0.000	1	132.0800	0.000	1	137.2278	13.913	4	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[3x6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a](C[6a,6a]C[3x6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(N[5a]C[5a])(COO)	C[5a,6a](C[6a,6a]C[3x6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C){1|O<1>,2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,6|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(N[5a]C[5a])(COO){1|H<1>,3|C<3>}	138.4550	0.000	1	138.4550	0.000	1	138.4550	0.000	1	137.2278	13.913	4	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(CH3)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C){1|C<4>,1|N<2>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a]){1|C<4>,1|N<3>,2|N<2>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(CH3){1|C<4>,1|N<2>,2|C<3>}	139.9080	0.000	1	139.9080	0.000	1	137.8399	3.337	7	137.2587	5.562	8	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(CH3)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C){1|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(CH3){1|N<2>,3|C<3>}	137.2270	0.000	1	137.2270	0.000	1	137.8399	3.337	7	137.2587	5.562	8	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(CC[6a]HH)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C){1|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(CC[6a]HH){1|N<2>,3|C<3>}	137.5970	0.000	1	137.5970	0.000	1	137.8399	3.337	7	137.2587	5.562	8	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(CH3)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(CH3){1|N<3>,3|C<3>}	135.3990	0.000	1	136.5090	1.134	3	137.8399	3.337	7	137.2587	5.562	8	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(CH3)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C){1|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(CH3){1|N<2>,3|C<3>}	136.6060	0.000	1	136.5090	1.134	3	137.8399	3.337	7	137.2587	5.562	8	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(CH3)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C){1|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(CH3){1|N<2>,3|C<3>}	137.5220	0.000	1	136.5090	1.134	3	137.8399	3.337	7	137.2587	5.562	8	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(CH3)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C){1|C<4>,1|N<2>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]C[6a]){1|C<4>,1|N<3>,2|N<2>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(CH3){1|C<4>,1|N<2>,2|C<3>}	140.6200	0.000	1	140.6200	0.000	1	137.8399	3.337	7	137.2587	5.562	8	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:O[5a]-2:Si-4:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]O[5a]Si)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(O[5a]C[5a])(SiC3)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]O[5a]Si){1|Si<4>,2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|Si<4>,1|O<2>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(O[5a]C[5a])(SiC3){1|Si<4>,3|C<3>}	133.1910	0.000	1	133.1910	0.000	1	133.1910	0.000	1	137.2587	5.562	8	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a]O)	C[6a,6a](C[5a,6a]C[5a,6,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6,6a]C[6a,6a])(N[5a]C[5a,6]C[6a])(O)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a]O){1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6,6a]C[6a,6a])(N[5a]C[5a,6]C[6a])(O){6|C<3>}	132.0720	0.000	1	132.0720	0.000	1	132.0720	0.000	1	131.9086	7.324	103	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a,6a]C[6a,6a])(C[5a]C[5a,6a]C)(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a]H){1|C<2>,1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a,6a]C[6a,6a])(C[5a]C[5a,6a]C)(H){4|C<3>}	134.8390	0.000	1	135.4597	0.391	3	135.4597	0.391	3	131.9086	7.324	103	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a,6a]C[6a,6a])(C[5a]C[5a,6a]C)(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a,6a]C[6a,6a])(C[5a]C[5a,6a]C)(H){4|C<3>}	135.7700	0.451	2	135.4597	0.391	3	135.4597	0.391	3	131.9086	7.324	103	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)	C[5a](C[5a,6a]C[5a,6a,6a]C[6a,6a])(C[5a]C[5a,6a]Si)(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]H){1|Si<4>,1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H){2|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a,6a]C[6a,6a])(C[5a]C[5a,6a]Si)(H){4|C<3>}	134.5740	0.000	1	134.5740	0.000	1	134.5740	0.000	1	131.9086	7.324	103	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[3x6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:O-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(C[5a]C[5a,6a]O)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(C[5a]C[5a,6a]O){2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|O<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(O){1|H<1>,5|C<3>}	130.1700	0.000	1	130.1700	0.000	1	130.1700	0.000	1	131.9086	7.324	103	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[6a,6a]C[6a,6a]2)(C[5a]C[5a,6]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[6a,6a]C[6a,6a]2)(C[5a]C[5a,6]H){1|B<4>,1|C<4>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2){1|N<3>,4|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(H){1|B<4>,5|C<3>}	133.1096	0.351	5	133.1096	0.123	5	133.1096	0.123	5	131.9086	7.324	103	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]N[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]H){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]N[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	133.1330	0.000	1	133.1330	0.000	1	131.4345	5.770	2	131.9086	7.324	103	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]N[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]N[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	129.7360	0.000	1	129.7360	0.000	1	131.4345	5.770	2	131.9086	7.324	103	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]H){1|S<2>,2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H){1|S<2>,2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]H)(H){3|C<3>}	127.8650	0.091	2	127.8650	0.008	2	129.8805	8.221	6	131.9086	7.324	103	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C[6])(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<2>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C[6])(H){1|H<1>,1|O<2>,4|C<3>}	133.5720	0.314	2	133.5720	0.099	2	129.8805	8.221	6	131.9086	7.324	103	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|S<2>,3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]C)(H){3|C<3>}	128.2160	0.000	1	128.2160	0.000	1	129.8805	8.221	6	131.9086	7.324	103	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]H){2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]H)(H){3|C<3>}	128.1930	0.000	1	128.1930	0.000	1	129.8805	8.221	6	131.9086	7.324	103	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a,5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,5a]C[5a,5a]B[5a])(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a,5a]H){1|B<4>,1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,5a]C[5a,5a]B[5a])(H){1|N<3>,6|C<3>}	130.6920	0.000	1	130.6920	0.000	1	130.6920	0.000	1	131.9086	7.324	103	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a]H){2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]H)(H){4|C<3>}	130.1695	0.377	2	130.1695	0.142	2	130.1695	0.142	2	131.9086	7.324	103	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]2)(C[5a]N[5a]O)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]C)(O)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]2)(C[5a]N[5a]O){1|C<4>,1|O<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,7|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]C)(O){1|O<1>,3|C<3>}	127.8970	1.240	2	127.8970	1.538	2	127.8970	1.538	2	131.9086	7.324	103	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[5a]N[5a]O)	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]C[6a])(O)	C[5a,6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[5a]N[5a]O){1|H<1>,1|O<1>,5|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]C[6a])(O){1|O<1>,5|C<3>}	128.0815	0.016	2	128.0815	0.000	2	128.0815	0.000	2	131.9086	7.324	103	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[3x6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a](C[6a,6a]C[3x6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]N[5a]O)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]H)(O)	C[5a,6a](C[6a,6a]C[3x6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]N[5a]O){2|H<1>,2|O<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]H)(O){1|O<1>,3|C<3>}	127.7310	0.000	1	127.7310	0.000	1	127.7310	0.000	1	131.9086	7.324	103	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])2(C[6a,6a]C[6a,6a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]C)(H)	C[5a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H){2|C<2>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])2(C[6a,6a]C[6a,6a]C[6a]){1|N<3>,1|O<1>,1|S<2>,2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]C)(H){3|C<3>}	130.7545	0.480	2	130.7545	0.231	2	130.7545	0.231	2	131.9086	7.324	103	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]C[5a])(C[5a]N[5a]O)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])2(C[6a,6a]C[6a,6a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]C)(O)	C[5a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]C[5a])(C[5a]N[5a]O){1|C<4>,1|O<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])2(C[6a,6a]C[6a,6a]C[6a]){1|N<3>,1|O<1>,1|S<2>,2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]C)(O){1|O<1>,3|C<3>}	130.4900	0.470	2	130.4900	0.220	2	130.4900	0.220	2	131.9086	7.324	103	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[3x6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]2)(C[3x6a]C[3x6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]C)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H){1|C<4>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]2)(C[3x6a]C[3x6a]2){1|H<1>,1|S<2>,8|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]C)(H){3|C<3>}	129.5320	0.000	1	129.5320	0.000	1	129.2713	0.221	19	131.9086	7.324	103	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[3x6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[3x6a]C[3x6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]C)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H){1|C<4>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[3x6a]C[3x6a]2){1|S<2>,2|H<1>,7|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]C)(H){3|C<3>}	129.3199	0.471	16	129.3199	0.222	16	129.2713	0.221	19	131.9086	7.324	103	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[3x6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[3x6a]C[3x6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H){1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[3x6a]C[3x6a]2){1|S<2>,2|H<1>,7|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]H)(H){3|C<3>}	128.7520	0.116	2	128.7520	0.013	2	129.2713	0.221	19	131.9086	7.324	103	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H){1|B<4>,1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(H){1|B<4>,5|C<3>}	130.8960	0.000	1	130.8960	0.000	1	130.8960	0.000	1	131.9086	7.324	103	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5,6a]N[5a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5,6a]N[5a])(C[5a]C[5a]H){1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(H){3|C<3>}	131.7150	0.000	1	131.6580	0.006	2	133.2658	5.673	30	131.9086	7.324	103	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5,6a]N[5a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5,6a]N[5a])(C[5a]C[5a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(H){1|H<1>,3|C<3>}	131.6010	0.000	1	131.6580	0.006	2	133.2658	5.673	30	131.9086	7.324	103	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){3|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(H){1|H<1>,3|C<3>}	133.4510	0.000	1	133.4510	0.000	1	133.2658	5.673	30	131.9086	7.324	103	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){1|N<2>,3|C<3>,3|H<1>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(H){1|H<1>,3|C<3>}	135.3720	0.000	1	135.3720	0.000	1	133.2658	5.673	30	131.9086	7.324	103	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){1|Br<1>,1|N<2>,1|S<4>,2|C<3>,2|H<1>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(H){1|S<4>,3|C<3>}	131.5460	0.000	1	134.5495	1.055	12	133.2658	5.673	30	131.9086	7.324	103	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(H){1|H<1>,3|C<3>}	135.0156	0.218	7	134.5495	1.055	12	133.2658	5.673	30	131.9086	7.324	103	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){1|N<2>,1|S<4>,2|C<3>,3|H<1>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(H){1|S<4>,3|C<3>}	133.9980	0.000	1	134.5495	1.055	12	133.2658	5.673	30	131.9086	7.324	103	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){1|N<2>,2|C<3>,4|H<1>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(H){1|H<1>,3|C<3>}	135.0400	0.000	1	134.5495	1.055	12	133.2658	5.673	30	131.9086	7.324	103	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){1|N<2>,3|C<3>,3|H<1>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(H){1|H<1>,3|C<3>}	134.4505	0.456	2	134.5495	1.055	12	133.2658	5.673	30	131.9086	7.324	103	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]O[5a])(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H){2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]O[5a])(H){5|C<3>}	135.7600	0.000	1	135.7600	0.000	1	133.2658	5.673	30	131.9086	7.324	103	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]O[5a]C)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|Br<1>,1|O<2>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]O[5a]C)(H){3|C<3>}	135.0720	0.000	1	134.6782	0.110	5	133.2658	5.673	30	131.9086	7.324	103	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]O[5a]C)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H){2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|Br<1>,1|O<2>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]O[5a]C)(H){3|C<3>}	134.4270	0.000	1	134.6782	0.110	5	133.2658	5.673	30	131.9086	7.324	103	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]O[5a]C)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H){2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,3|C<3>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]O[5a]C)(H){3|C<3>}	134.6307	0.327	3	134.6782	0.110	5	133.2658	5.673	30	131.9086	7.324	103	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]O[5a]C[6])(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,3|C<3>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]O[5a]C[6])(H){1|H<1>,5|C<3>}	134.7100	0.000	1	134.7100	0.000	1	133.2658	5.673	30	131.9086	7.324	103	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]S[5a])(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H){2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|S<2>,3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]S[5a])(H){5|C<3>}	129.1320	0.000	1	129.1320	0.000	1	133.2658	5.673	30	131.9086	7.324	103	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]C)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H){2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|S<2>,3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]C)(H){3|C<3>}	129.0535	0.187	2	129.0535	0.035	2	133.2658	5.673	30	131.9086	7.324	103	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]Si)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H){1|Si<4>,1|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|S<2>,2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]Si)(H){3|C<3>}	128.4000	0.000	1	128.4000	0.000	1	133.2658	5.673	30	131.9086	7.324	103	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H){3|C<3>,3|H<1>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,1|S<2>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]H)(H){3|C<3>}	128.8010	0.000	1	128.8010	0.000	1	133.2658	5.673	30	131.9086	7.324	103	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){1|S<2>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]H)(H){3|C<3>}	130.4450	0.000	1	130.4450	0.000	1	133.2658	5.673	30	131.9086	7.324	103	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[6a]S[5a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[6a]S[5a])(C[5a]C[5a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<3>,1|S<2>,2|N<2>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]H)(H){1|N<2>,2|C<3>}	132.4960	0.000	1	132.4960	0.000	1	133.2658	5.673	30	131.9086	7.324	103	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]N[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]C)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]N[5a]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]C)(H){4|C<3>}	132.6780	0.000	1	132.6780	0.000	1	132.6780	0.000	1	131.9086	7.324	103	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[6a,6a]C[6,6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)	C[6a,6a](C[6,6a,6a]C[6,6a]N[6,6a])(C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]O[5a]H)(H)	C[5a,6a](C[6a,6a]C[6,6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H){1|N<3>,2|C<3>,3|H<1>}	C[6a,6a](C[6,6a,6a]C[6,6a]N[6,6a])(C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]O[5a]H)(H){3|C<3>}	134.9140	0.000	1	134.9140	0.000	1	134.9140	0.000	1	131.9086	7.324	103	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	130.8230	0.000	1	132.0027	1.550	3	132.0027	1.550	3	131.9086	7.324	103	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H){1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	131.8810	0.000	1	132.0027	1.550	3	132.0027	1.550	3	131.9086	7.324	103	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,1|N<2>,4|C<3>}	133.3040	0.000	1	132.0027	1.550	3	132.0027	1.550	3	131.9086	7.324	103	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C)(H){4|C<3>}	132.8700	0.000	1	132.8700	0.000	1	135.1527	1.396	12	131.9086	7.324	103	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){3|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	134.4740	0.000	1	133.9640	0.520	2	135.1527	1.396	12	131.9086	7.324	103	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){3|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(H){4|C<3>}	133.4540	0.000	1	133.9640	0.520	2	135.1527	1.396	12	131.9086	7.324	103	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]N[6a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]N[6a])(C[5a]C[5a]H){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|C<3>,4|H<1>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C)(H){1|C<2>,1|N<2>,2|C<3>}	136.1190	0.000	1	136.1190	0.000	1	135.1527	1.396	12	131.9086	7.324	103	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6,6a]O[5a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]O[5a]O)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6,6a]O[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]O[5a]O)(H){3|C<3>}	135.1470	0.000	1	135.1470	0.000	1	135.1527	1.396	12	131.9086	7.324	103	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	135.5780	0.000	1	135.5780	0.000	1	135.1527	1.396	12	131.9086	7.324	103	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]C)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]C)(H){3|C<3>}	135.6063	0.243	3	135.4060	0.200	4	135.1527	1.396	12	131.9086	7.324	103	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]C)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]C)(H){3|C<3>}	134.8050	0.000	1	135.4060	0.200	4	135.1527	1.396	12	131.9086	7.324	103	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|C<3>,4|H<1>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]H)(H){3|C<3>}	135.2160	0.000	1	135.2160	0.000	1	135.1527	1.396	12	131.9086	7.324	103	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	137.3500	0.000	1	137.3500	0.000	1	135.1527	1.396	12	131.9086	7.324	103	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a,5a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,5a]H)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,5a]C[5a,5a]N[5a,6a])(C[5a,6a]C[6a,6a]N[5a,6a])(H)	C[5a,6a](N[5a,6a]C[5a,5a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,5a]H){1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	C[5a](C[5a,5a]C[5a,5a]N[5a,6a])(C[5a,6a]C[6a,6a]N[5a,6a])(H){6|C<3>}	131.0590	0.000	1	131.0590	0.000	1	131.0590	0.000	1	131.9086	7.324	103	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]H)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]N[6a])(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]H){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]N[6a])(H){5|C<3>}	130.2413	0.181	4	130.2413	0.033	4	130.2413	0.033	4	131.9086	7.324	103	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a,6a]C[6a,6a]2)(C[5a]C[6a]N[5a])	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a,6a]C[6a,6a]2)(C[5a]C[6a]N[5a]){1|C<4>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	140.7010	0.000	1	140.0375	0.880	2	140.0375	0.880	2	135.2850	5.286	27	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a,6a]C[6a,6a]2)(C[5a]C[6a]N[5a])	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a,6a]C[6a,6a]2)(C[5a]C[6a]N[5a]){7|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,2|H<1>,5|C<3>}	139.3740	0.000	1	140.0375	0.880	2	140.0375	0.880	2	135.2850	5.286	27	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]S)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]O[5a]C)(SC)	C[5a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]S){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|O<2>,1|S<2>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]O[5a]C)(SC){3|C<3>}	136.2140	0.146	2	136.2140	0.021	2	136.2140	0.021	2	135.2850	5.286	27	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(CN)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<2>,1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(CN){1|O<2>,3|C<3>}	134.5080	0.000	1	134.5165	0.000	2	134.1953	0.310	3	135.2850	5.286	27	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(CN)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<2>,1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(CN){4|C<3>}	134.5250	0.000	1	134.5165	0.000	2	134.1953	0.310	3	135.2850	5.286	27	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]N)(CN)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|N<3>,2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<2>,1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]N)(CN){4|C<3>}	133.5530	0.000	1	133.5530	0.000	1	134.1953	0.310	3	135.2850	5.286	27	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]O[5a])(NS)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N){2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|O<2>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]O[5a])(NS){5|C<3>}	136.0290	0.000	1	136.0290	0.000	1	136.0290	0.000	1	135.2850	5.286	27	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:O-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(OC)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O){1|N<3>,2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(OC){1|N<3>,5|C<3>}	134.0370	0.000	1	134.0370	0.000	1	134.0370	0.000	1	135.2850	5.286	27	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]O[5a])(SC)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S){2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,1|S<2>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]O[5a])(SC){5|C<3>}	135.5510	0.337	3	135.5510	0.113	3	136.0142	0.384	6	135.2850	5.286	27	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]O[5a])(SC[6a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S){2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,1|S<2>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]O[5a])(SC[6a]){5|C<3>}	135.9590	0.000	1	135.9590	0.000	1	136.0142	0.384	6	135.2850	5.286	27	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]O[5a]C)(SC[6a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S){1|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,1|S<2>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]O[5a]C)(SC[6a]){3|C<3>}	136.7365	0.064	2	136.7365	0.004	2	136.0142	0.384	6	135.2850	5.286	27	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[6a]O[5a])	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(O[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[6a]O[5a]){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,6|C<3>}	134.2150	1.895	2	134.2150	3.591	2	134.2150	3.591	2	135.2850	5.286	27	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]Fe)(NC[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N){1|Fe<6>,1|N<2>,2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]Fe)(NC[5a]){1|N<2>,3|C<3>}	132.8935	0.056	2	132.8935	0.003	2	132.8935	0.003	2	135.2850	5.286	27	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C[6a])(CC)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<2>,3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C[6a])(CC){6|C<3>}	133.4930	0.000	1	133.4930	0.000	1	134.9440	1.592	3	135.2850	5.286	27	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]N)(CN)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<2>,1|N<2>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]N)(CN){3|C<3>}	135.6695	0.163	2	135.6695	0.027	2	134.9440	1.592	3	135.2850	5.286	27	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a]){1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|N<2>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,5|C<3>}	137.3860	0.000	1	137.3860	0.000	1	137.3860	0.000	1	135.2850	5.286	27	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a,6a]B[5a])(C[5a]N[5a]C)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(N[5a]B[5a]N)(CN)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a,6a]B[5a])(C[5a]N[5a]C){1|H<1>,1|N<2>,2|F<1>,4|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|B<4>,1|C<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(N[5a]B[5a]N)(CN){2|F<1>,3|C<3>}	128.6080	0.000	1	128.6080	0.000	1	128.6080	0.000	1	135.2850	5.286	27	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:O-2:	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(OC)	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(OC){1|H<1>,1|N<3>,4|C<3>}	135.6300	0.000	1	136.5255	1.604	2	136.5255	1.604	2	135.2850	5.286	27	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:O-2:	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(OC)	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C){1|O<1>,1|O<2>,6|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(OC){1|H<1>,1|N<3>,4|C<3>}	137.4210	0.000	1	136.5255	1.604	2	136.5255	1.604	2	135.2850	5.286	27	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[3x6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:O-2:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(C[5a]C[5a,6a]O)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(OP)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(C[5a]C[5a,6a]O){1|H<1>,1|O<1>,5|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|O<2>,6|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(OP){1|H<1>,5|C<3>}	133.3610	0.000	1	133.3610	0.000	1	133.3610	0.000	1	135.2850	5.286	27	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6,6a]C[6a,6a])(C[5a]N[5a,6]C[6a])(CC[6a]O)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C){1|B<4>,1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6,6a]C[6a,6a])(C[5a]N[5a,6]C[6a])(CC[6a]O){1|B<4>,5|C<3>}	135.6730	0.000	1	135.6730	0.000	1	135.6730	0.000	1	135.1571	4.924	91	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a,6a]C[6a,6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|O<1>,7|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a,6a]C[6a,6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	134.7930	0.000	1	134.7930	0.000	1	134.7930	0.000	1	135.1571	4.924	91	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]O[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|O<1>,1|O<2>,7|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]O[6a]){1|N<3>,2|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	136.8630	0.000	1	136.8630	0.000	1	136.8630	0.000	1	135.1571	4.924	91	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]N[6])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6]C[6a]){1|B<4>,1|H<1>,1|N<2>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|O<2>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]N[6])(C[6a]C[6a]2){1|B<4>,2|H<1>,6|C<3>}	131.2325	0.127	2	131.2325	0.016	2	131.2325	0.016	2	135.1571	4.924	91	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]N[5a,6a]C[6a])(COO)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C){2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]N[5a,6a]C[6a])(COO){1|H<1>,5|C<3>}	135.3390	0.000	1	135.3390	0.000	1	135.3390	0.000	1	135.1571	4.924	91	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[6a]){1|H<1>,1|N<3>,7|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	132.9110	0.000	2	132.9110	0.000	2	132.8044	1.523	5	135.1571	4.924	91	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[6a]){1|H<1>,1|O<2>,7|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	133.6050	0.000	1	133.6050	0.000	1	132.8044	1.523	5	135.1571	4.924	91	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[6a]){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	133.8650	0.000	1	133.8650	0.000	1	132.8044	1.523	5	135.1571	4.924	91	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[6a]){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	130.7300	0.000	1	130.7300	0.000	1	132.8044	1.523	5	135.1571	4.924	91	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]O[5a])(CC[6a]O)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]O[5a])(CC[6a]O){5|C<3>}	134.6940	0.000	1	134.6940	0.000	1	134.6940	0.000	1	135.1571	4.924	91	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,7|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,2|H<1>,7|C<3>}	131.4125	0.562	2	131.4125	0.316	2	131.4125	0.316	2	135.1571	4.924	91	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a,6]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a,6]C[6a]){1|B<4>,1|H<1>,1|N<2>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2){1|N<2>,1|N<3>,2|F<1>,2|H<1>,5|C<3>}	131.3890	0.000	1	130.6823	0.510	3	130.6823	0.510	3	135.1571	4.924	91	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a,6]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a,6]C[6a]){1|B<4>,1|H<1>,7|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2){1|N<3>,2|F<1>,2|H<1>,6|C<3>}	130.3290	0.520	2	130.6823	0.510	3	130.6823	0.510	3	135.1571	4.924	91	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a,6a]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6a]C[5a,6a]C[6a,6a])(COO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a,6a]C){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6a]C[5a,6a]C[6a,6a])(COO){6|C<3>}	133.9640	0.000	1	133.9640	0.000	1	133.9640	0.000	1	135.1571	4.924	91	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]H)(CHN)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a]C){3|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]H)(CHN){1|H<1>,3|C<3>}	132.9750	0.206	2	132.9750	0.043	2	133.2880	0.315	3	135.1571	4.924	91	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a]N)(CCH)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,1|N<3>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a]N)(CCH){3|C<3>}	133.9140	0.000	1	133.9140	0.000	1	133.2880	0.315	3	135.1571	4.924	91	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[3x6a]-3:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]2)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]2)(C[3x6a]C[3x6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]C[5a])(C[5a]S[5a]C)	C[5a,6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]2){1|C<4>,7|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]2)(C[3x6a]C[3x6a]2){1|S<2>,9|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]C[5a])(C[5a]S[5a]C){1|C<4>,1|S<2>,5|C<3>}	129.2720	0.000	1	129.2720	0.000	1	129.2720	0.000	1	135.1571	4.924	91	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C[6a]){2|H<1>,7|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2){2|C<4>,8|C<3>}	131.2800	0.000	1	131.2800	0.000	1	131.2800	0.000	1	135.1571	4.924	91	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(C[6a]C[6a,6a]C[6a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a]){2|H<1>,7|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(C[6a]C[6a,6a]C[6a]){2|H<1>,8|C<3>}	133.3520	0.000	1	133.3520	0.000	1	133.3520	0.000	1	135.1571	4.924	91	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5,6a]C[5a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(CCH)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5,6a]C[5a])(C[5a]C[5a]C){2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,7|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(CCH){1|H<1>,3|C<3>}	134.0680	0.000	1	134.0680	0.000	1	137.2300	3.094	9	135.1571	4.924	91	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(COO)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(COO){1|H<1>,3|C<3>}	137.0240	0.000	1	137.0240	0.000	1	137.2300	3.094	9	135.1571	4.924	91	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]O[5a])(CHO)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C){2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]O[5a])(CHO){5|C<3>}	137.1960	0.000	1	137.1960	0.000	1	137.2300	3.094	9	135.1571	4.924	91	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]O[5a])(COO)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C){2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]O[5a])(COO){5|C<3>}	135.3900	0.000	1	135.3900	0.000	1	137.2300	3.094	9	135.1571	4.924	91	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(CC[6a]O)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C){3|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(CC[6a]O){1|H<1>,1|N<3>,4|C<3>}	137.0900	0.397	2	137.0900	0.158	2	137.2300	3.094	9	135.1571	4.924	91	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(CCO)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C){1|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(CCO){1|H<1>,1|N<2>,2|C<3>}	138.6785	0.206	2	138.6785	0.042	2	137.2300	3.094	9	135.1571	4.924	91	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(COO)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C){1|N<2>,2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(COO){1|H<1>,1|N<2>,4|C<3>}	139.8550	0.000	1	139.8550	0.000	1	137.2300	3.094	9	135.1571	4.924	91	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a]){1|N<3>,2|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	134.5900	0.000	1	134.5900	0.000	1	134.6354	1.747	12	135.1571	4.924	91	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	134.8840	0.000	1	134.8840	0.000	1	134.6354	1.747	12	135.1571	4.924	91	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a]){1|N<3>,2|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|Br<1>,1|H<1>,1|N<3>,7|C<3>}	133.4070	0.000	1	133.9900	2.631	3	134.6354	1.747	12	135.1571	4.924	91	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a]){1|N<3>,2|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<3>,2|H<1>,7|C<3>}	135.8230	0.000	1	133.9900	2.631	3	134.6354	1.747	12	135.1571	4.924	91	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a]){2|H<1>,7|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	132.7400	0.000	1	133.9900	2.631	3	134.6354	1.747	12	135.1571	4.924	91	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a]){3|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	132.8770	0.000	1	132.8770	0.000	1	134.6354	1.747	12	135.1571	4.924	91	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]O[5a]N)(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a]){1|N<3>,2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]O[5a]N)(C[6a]C[6a]2){1|Br<1>,1|H<1>,5|C<3>}	134.5910	0.679	2	134.5910	0.461	2	134.6354	1.747	12	135.1571	4.924	91	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]N)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<2>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]N){1|H<1>,1|N<2>,1|O<2>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	137.1730	0.000	1	137.1730	0.000	1	134.6354	1.747	12	135.1571	4.924	91	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]O[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a]){1|C<4>,2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]O[5a]C)(C[6a]C[6a]2){1|H<1>,1|O<2>,5|C<3>}	135.6520	0.000	1	135.5985	0.006	2	134.6354	1.747	12	135.1571	4.924	91	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]O[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a]){2|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]O[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	135.5450	0.000	1	135.5985	0.006	2	134.6354	1.747	12	135.1571	4.924	91	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]O[5a]N)(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a]){1|N<3>,2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,2|O<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]O[5a]N)(C[6a]C[6a]2){1|Br<1>,1|H<1>,5|C<3>}	133.7520	0.000	1	133.7520	0.000	1	134.6354	1.747	12	135.1571	4.924	91	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]O[5a])(NCC)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N){2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]O[5a])(NCC){5|C<3>}	136.5080	0.000	1	136.5080	0.000	1	135.7045	1.291	2	135.1571	4.924	91	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]O[5a]C)(NHH)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N){2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]O[5a]C)(NHH){3|C<3>}	134.9010	0.000	1	134.9010	0.000	1	135.7045	1.291	2	135.1571	4.924	91	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]O[5a])(SCO)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S){2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,1|S<3>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]O[5a])(SCO){5|C<3>}	136.6745	0.251	4	136.6745	0.063	4	136.6038	0.082	12	135.1571	4.924	91	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]O[5a])(SC[6a]O)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S){2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,1|S<3>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]O[5a])(SC[6a]O){5|C<3>}	136.4565	0.404	4	136.4565	0.164	4	136.6038	0.082	12	135.1571	4.924	91	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]O[5a]C)(SCO)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S){1|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,1|S<3>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]O[5a]C)(SCO){3|C<3>}	136.4470	0.000	1	136.4470	0.000	1	136.6038	0.082	12	135.1571	4.924	91	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]O[5a]C)(SC[6a]O)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S){1|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,1|S<3>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]O[5a]C)(SC[6a]O){3|C<3>}	136.7583	0.106	3	136.7583	0.011	3	136.6038	0.082	12	135.1571	4.924	91	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[6a,6a]N[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(N[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CHO)	C[5a,6a](C[6a,6a]N[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){3|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(N[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CHO){1|H<1>,1|N<3>,2|C<3>}	132.7000	0.000	1	132.7000	0.000	1	132.7000	0.000	1	135.1571	4.924	91	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6]C[6a])(C[5a]C[5a,6]C[6a])	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6]C[6a])(C[5a]C[5a,6]C[6a]){1|C<4>,2|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	135.0540	0.000	1	135.0540	0.000	1	135.0540	0.000	1	135.1571	4.924	91	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a]){2|H<1>,7|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	134.5810	0.000	1	134.3305	0.126	2	134.5580	0.136	4	135.1571	4.924	91	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a]){2|H<1>,7|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	134.0800	0.000	1	134.3305	0.126	2	134.5580	0.136	4	135.1571	4.924	91	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	134.5900	0.000	1	134.5900	0.000	1	134.5580	0.136	4	135.1571	4.924	91	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]C[6a])	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]C[6a]){1|H<1>,7|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,3|H<1>,6|C<3>}	134.9810	0.000	1	134.9810	0.000	1	134.5580	0.136	4	135.1571	4.924	91	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C)(COO)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|F<1>,2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C)(COO){4|C<3>}	133.6070	0.000	1	134.4745	1.412	4	136.5984	2.566	18	135.1571	4.924	91	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C)(COO)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C)(COO){4|C<3>}	133.3080	0.000	1	134.4745	1.412	4	136.5984	2.566	18	135.1571	4.924	91	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C)(COO)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C)(COO){4|C<3>}	135.6580	0.000	1	134.4745	1.412	4	136.5984	2.566	18	135.1571	4.924	91	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C)(COO)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){3|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C)(COO){1|H<1>,3|C<3>}	135.3250	0.000	1	134.4745	1.412	4	136.5984	2.566	18	135.1571	4.924	91	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(COO)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(COO){4|C<3>}	134.3000	0.000	1	135.8973	2.225	3	136.5984	2.566	18	135.1571	4.924	91	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(COO)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){3|C<3>,4|H<1>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(COO){1|H<1>,3|C<3>}	137.2540	0.000	1	135.8973	2.225	3	136.5984	2.566	18	135.1571	4.924	91	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(COO)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){3|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(COO){4|C<3>}	136.1380	0.000	1	135.8973	2.225	3	136.5984	2.566	18	135.1571	4.924	91	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(COO)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){1|N<2>,3|C<3>,3|H<1>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(COO){4|C<3>}	137.4130	0.000	1	137.4130	0.000	1	136.5984	2.566	18	135.1571	4.924	91	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]N[6a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C)(COO)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]N[6a])(C[5a]C[5a]C){1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C)(COO){1|N<2>,3|C<3>}	137.5560	0.000	1	137.5560	0.000	1	136.5984	2.566	18	135.1571	4.924	91	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]C)(COO)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,1|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]C)(COO){3|C<3>}	136.8910	0.000	1	137.0555	0.054	2	136.5984	2.566	18	135.1571	4.924	91	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]C)(COO)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|H<1>,2|C<4>,3|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|I<1>,1|N<2>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]C)(COO){3|C<3>}	137.2200	0.000	1	137.0555	0.054	2	136.5984	2.566	18	135.1571	4.924	91	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]H)(CC[6a]O)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]H)(CC[6a]O){3|C<3>}	138.0060	0.000	1	138.0060	0.000	1	136.5984	2.566	18	135.1571	4.924	91	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]H)(COO)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]H)(COO){3|C<3>}	137.7715	0.291	2	137.7715	0.084	2	136.5984	2.566	18	135.1571	4.924	91	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]C)(COO)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]C)(COO){3|C<3>}	139.2020	0.000	1	139.2020	0.000	1	136.5984	2.566	18	135.1571	4.924	91	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]H)(CC[6a]O)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]H)(CC[6a]O){3|C<3>}	137.1970	0.000	1	137.1970	0.000	1	136.5984	2.566	18	135.1571	4.924	91	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]H)(COO)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]H)(COO){3|C<3>}	137.7670	0.000	1	137.7670	0.000	1	136.5984	2.566	18	135.1571	4.924	91	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]P)(CC[6a]O)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|H<1>,1|N<3>,1|O<1>,1|P<4>,2|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|F<1>,1|N<2>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]P)(CC[6a]O){3|C<3>}	136.3870	0.000	1	136.3870	0.000	1	136.5984	2.566	18	135.1571	4.924	91	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a]){3|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	134.0520	0.000	1	134.0520	0.000	1	135.0527	0.989	3	135.1571	4.924	91	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]N)(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<3>,6|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]N)(C[6a]C[6a]2){2|H<1>,5|C<3>}	135.5530	0.690	2	135.5530	0.476	2	135.0527	0.989	3	135.1571	4.924	91	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6,6a]C[6,6a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a,6a](C[5a,6a]N[5a,6,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6,6a]C[6a,6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]2)	C[5a,6a](N[5a,6,6a]C[6,6a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,8|C<3>}	C[6a,6a](C[5a,6a]N[5a,6,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5a](C[5a,6a]N[5a,6,6a]C[6a,6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]2){1|H<1>,9|C<3>}	135.6010	0.000	1	135.2613	0.094	3	135.2613	0.094	3	135.1571	4.924	91	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6,6a]C[6,6a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a,6a](C[5a,6a]N[5a,6,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6,6a]C[6a,6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]2)	C[5a,6a](N[5a,6,6a]C[6,6a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,8|C<3>}	C[6a,6a](C[5a,6a]N[5a,6,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5a](C[5a,6a]N[5a,6,6a]C[6a,6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	135.0915	0.124	2	135.2613	0.094	3	135.2613	0.094	3	135.1571	4.924	91	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6,6a]-3:C[6a,6a]-3:C[5a]-3:	C[6,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6,6a]C[6,6a,6a]C[5a,6])(C[6a,6a]C[6,6a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[5a,6a]N[5a,6,6a]C[5a])(C[6a]C[6a]O)	C[5a](C[5a,6a]N[5a,6,6a]C[6a,6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]2)	C[5a,6a](N[5a,6,6a]C[6,6a,6a]C[5a,6])(C[6a,6a]C[6,6a,6a]C[6a])(C[5a]C[5a]C[6a]){1|O<2>,8|C<3>}	C[6a,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[5a,6a]N[5a,6,6a]C[5a])(C[6a]C[6a]O){1|H<1>,7|C<3>}	C[5a](C[5a,6a]N[5a,6,6a]C[6a,6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	137.8950	0.438	2	137.8950	0.192	2	137.8950	0.192	2	135.1571	4.924	91	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a,6a]C[6a,6a])(C[5a]C[5a,6a]C)(CCHH)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a,6a]C[6a,6a])(C[5a]C[5a,6a]C)(CCHH){4|C<3>}	135.4050	0.000	1	135.4050	0.000	1	135.4050	0.000	1	136.4606	4.347	39	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(CCCH)	C[5a,6a](C[5a,6a]C[5,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6]C){1|B<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(CCCH){1|B<4>,1|H<1>,4|C<3>}	133.8150	0.000	1	133.8150	0.000	1	134.0925	0.154	2	136.4606	4.347	39	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(CCCH)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6]C){1|B<4>,1|H<1>,1|N<3>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(CCCH){1|B<4>,1|H<1>,4|C<3>}	134.3700	0.000	1	134.3700	0.000	1	134.0925	0.154	2	136.4606	4.347	39	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C){1|O<2>,2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,5|C<3>}	134.8785	0.863	2	134.8785	0.745	2	134.8785	0.745	2	136.4606	4.347	39	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a])(CCCH)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C){1|N<3>,2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a])(CCCH){1|H<1>,1|N<3>,4|C<3>}	136.1147	0.449	8	136.1147	0.202	8	137.1160	7.782	11	136.4606	4.347	39	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(CCCH)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C){1|Ni<4>,1|H<1>,1|N<3>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(CCCH){1|Ni<4>,3|C<3>}	142.5845	0.078	2	142.5845	0.006	2	137.1160	7.782	11	136.4606	4.347	39	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(CCCH)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C){1|N<3>,3|C<3>,3|H<1>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(CCCH){1|H<1>,3|C<3>}	134.1890	0.000	1	134.1890	0.000	1	137.1160	7.782	11	136.4606	4.347	39	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(CH3)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C){1|B<4>,2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(CH3){1|B<4>,5|C<3>}	133.8797	0.230	3	133.8797	0.053	3	133.8797	0.053	3	136.4606	4.347	39	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5,6a]N[5a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(CCCH)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5,6a]N[5a])(C[5a]C[5a]C){1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(CCCH){3|C<3>}	137.0500	0.000	1	137.0400	0.000	2	136.3852	0.387	5	136.4606	4.347	39	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5,6a]N[5a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(CCCH)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5,6a]N[5a])(C[5a]C[5a]C){1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(CCCH){1|H<1>,3|C<3>}	137.0300	0.000	1	137.0400	0.000	2	136.3852	0.387	5	136.4606	4.347	39	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|O<2>,3|C<3>,3|H<1>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]2){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(CCHH){1|H<1>,3|C<3>}	136.2110	0.000	1	136.2110	0.000	1	136.3852	0.387	5	136.4606	4.347	39	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]O[5a]C)(CCHH)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C){1|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]O[5a]C)(CCHH){3|C<3>}	135.7330	0.000	1	135.8175	0.014	2	136.3852	0.387	5	136.4606	4.347	39	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]O[5a]C)(CCHH)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C){1|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]O[5a]C)(CCHH){3|C<3>}	135.9020	0.000	1	135.8175	0.014	2	136.3852	0.387	5	136.4606	4.347	39	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(SCOO)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|S<4>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(SCOO){1|H<1>,3|C<3>}	137.9930	0.000	1	137.9930	0.000	1	138.2906	0.104	9	136.4606	4.347	39	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]O[5a]C)(SC[6a]OO)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S){1|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,1|S<4>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]O[5a]C)(SC[6a]OO){3|C<3>}	138.3278	0.323	8	138.3278	0.104	8	138.2906	0.104	9	136.4606	4.347	39	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,4|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	133.4870	0.000	1	133.4870	0.000	1	133.4870	0.000	1	136.4606	4.347	39	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[6a]N[5a])(CCHH){5|C<3>}	135.7980	0.000	1	135.7980	0.000	1	135.7348	0.074	5	136.4606	4.347	39	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]H)(CCCH)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]H)(CCCH){3|C<3>}	136.0110	0.000	1	136.0110	0.000	1	135.7348	0.074	5	136.4606	4.347	39	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]H)(CCHH){3|C<3>}	135.4970	0.287	2	135.4970	0.082	2	135.7348	0.074	5	136.4606	4.347	39	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]H)(CC[6a]HO)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]H)(CC[6a]HO){3|C<3>}	135.8710	0.000	1	135.8710	0.000	1	135.7348	0.074	5	136.4606	4.347	39	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:4:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[5])	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5]C[5,6a]C[5]H)(C[5a]C[6a]O[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[5]){3|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5]C[5,6a]C[5]H)(C[5a]C[6a]O[5a]){1|N<3>,1|O<1>,7|C<3>}	136.1080	0.000	1	136.1080	0.000	1	136.1080	0.000	1	136.1080	0.000	1	134.0037	10.573	299	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:2:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:S[5]-2:	C[5a,6a](C[5,5a]C[5,5a]S[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]S[5])(S[5]C[5])	C[5a,6a](C[5,5a]C[5,5a]S[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){1|C<3>,1|C<4>,1|H<1>,2|S<2>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[5a,6a]C[5a,6a]S[5a])(H){2|S<2>,4|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]S[5])(S[5]C[5]){2|C<3>,3|H<1>}	128.8780	0.000	1	128.8780	0.000	1	128.8780	0.000	1	130.2450	1.406	3	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:2:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:O[5]-2:	C[5a,6a](C[5,5a]C[5,5a]O[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]C[5])(O[5]C[5,5])	C[5a,6a](C[5,5a]C[5,5a]O[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]C[5])(O[5]C[5,5]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	130.8580	0.000	1	130.8580	0.000	1	130.8580	0.000	1	130.2450	1.406	3	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:2:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:S[5]-2:	C[5a,6a](C[5,5a]C[5,5a]S[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]S[5])(S[5]C[5])	C[5a,6a](C[5,5a]C[5,5a]S[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|S<2>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]S[5])(S[5]C[5]){1|H<1>,1|S<1>,2|C<3>}	130.9990	0.000	1	130.9990	0.000	1	130.9990	0.000	1	130.2450	1.406	3	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[5,6a]-3:C[5,5a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[5])(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]S[5])	C[5a,6a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H){1|H<1>,1|S<4>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[5])(H){7|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]S[5]){2|H<1>,2|O<1>,5|C<3>}	132.8660	0.000	1	132.8660	0.000	1	132.8660	0.000	1	134.3399	5.080	70	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]F)(F)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a])	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F){1|B<3>,2|F<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]F)(F){1|F<1>,4|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a]){1|B<3>,1|F<1>,6|C<3>}	134.1340	0.000	1	134.1340	0.000	1	134.1340	0.000	1	134.3399	5.080	70	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:N[5,5a,6]-3:C[5a,6a]-3:	C[5a,6a](C[5,5a]N[5,5a,6]C[5,5a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]O)(H)	C[5,5a](C[5,5a]N[5,5a,6]C[5a,6a])(N[5,5a,6]P[5,3x6]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5,5a]N[5,5a,6]C[5,5a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,1|P<6>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,3|C<3>}	C[5,5a](C[5,5a]N[5,5a,6]C[5a,6a])(N[5,5a,6]P[5,3x6]C[5a,6])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|N<2>,2|N<3>,2|O<2>,5|C<3>}	133.7540	0.262	2	133.7540	0.068	2	133.7540	0.068	2	134.3399	5.080	70	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:B[5]-3:	C[5a,6a](C[5,5a]C[5,5a]B[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(B[5]C[5,6a]C[6a])	C[5a,6a](C[5,5a]C[5,5a]B[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(B[5]C[5,6a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	135.2670	0.000	1	135.2670	0.000	1	132.3246	9.242	5	134.3399	5.080	70	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:B[5]-3:	C[5a,6a](C[5,5a]C[5,5a]B[5])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]O[5a])(B[5]C[5,6a]C[6a])	C[5a,6a](C[5,5a]C[5,5a]B[5])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|O<2>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]O[5a])(B[5]C[5,6a]C[6a]){1|H<1>,6|C<3>}	136.0000	0.000	1	136.0000	0.000	1	132.3246	9.242	5	134.3399	5.080	70	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:B[5]-3:	C[5a,6a](C[5,5a]C[5,5a]B[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]S[5a])(B[5]C[5,5a]C[6a])	C[5a,6a](C[5,5a]C[5,5a]B[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|S<2>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]S[5a])(B[5]C[5,5a]C[6a]){1|H<1>,1|S<2>,5|C<3>}	130.1205	0.450	2	130.1205	0.203	2	132.3246	9.242	5	134.3399	5.080	70	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:B[5]-3:	C[5a,6a](C[5,5a]C[5,5a]B[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]S[5a])(B[5]C[5,6a]C[6a])	C[5a,6a](C[5,5a]C[5,5a]B[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|S<2>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]S[5a])(B[5]C[5,6a]C[6a]){1|H<1>,6|C<3>}	130.1150	0.000	1	130.1150	0.000	1	132.3246	9.242	5	134.3399	5.080	70	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5,6]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5,6]C[5,6]C[6])	C[5a,6a](C[5,5a]C[5,5a]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5,6]C[5,6]C[6]){1|N<2>,2|C<3>,3|H<1>,4|C<4>}	136.2020	0.000	1	136.2020	0.000	1	136.2020	0.000	1	134.3399	5.080	70	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|C<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){5|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C){1|C<2>,1|H<1>,4|C<3>}	134.4950	0.000	1	133.9045	0.697	2	134.4156	2.699	36	134.3399	5.080	70	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|Br<1>,4|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C){1|C<4>,1|H<1>,4|C<3>}	133.3140	0.000	1	133.9045	0.697	2	134.4156	2.699	36	134.3399	5.080	70	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[5a])	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[5a]){1|H<1>,1|S<2>,6|C<3>}	133.7090	0.000	1	133.7090	0.000	1	134.4156	2.699	36	134.3399	5.080	70	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a])	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<2>,4|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a]){1|H<1>,7|C<3>}	134.0830	0.000	1	134.1028	1.073	4	134.4156	2.699	36	134.3399	5.080	70	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a])	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a]){1|H<1>,7|C<3>}	133.3450	0.000	1	134.1028	1.073	4	134.4156	2.699	36	134.3399	5.080	70	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a])	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a]){1|H<1>,7|C<3>}	134.4915	1.531	2	134.1028	1.073	4	134.4156	2.699	36	134.3399	5.080	70	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]S)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,2|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]S){1|H<1>,1|S<2>,4|C<3>}	133.3150	0.000	1	133.3150	0.000	1	134.4156	2.699	36	134.3399	5.080	70	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]Si)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|Si<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]Si){1|Si<4>,1|H<1>,4|C<3>}	133.5000	0.000	1	133.5000	0.000	1	134.4156	2.699	36	134.3399	5.080	70	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]O[5])(C[5]C[6a]C[5])	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]O[5])(C[5]C[6a]C[5]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	134.3510	0.000	1	134.3510	0.000	1	134.4156	2.699	36	134.3399	5.080	70	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]N)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]Si)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|Si<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]N)(H){1|H<1>,4|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]Si){1|Si<4>,1|H<1>,4|C<3>}	132.7110	0.000	1	132.7110	0.000	1	134.4156	2.699	36	134.3399	5.080	70	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])(C[5]C[5,5]O)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])(C[5]C[5,5]O){2|H<1>,3|C<3>,3|C<4>}	136.2230	0.000	1	136.2230	0.000	1	134.4156	2.699	36	134.3399	5.080	70	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])(C[5]C[6a]C[5])	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])(C[5]C[6a]C[5]){1|C<4>,2|H<1>,6|C<3>}	136.8410	0.000	1	136.8410	0.000	1	134.4156	2.699	36	134.3399	5.080	70	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]N[5a])(C[5]C[5,5a]C[6a])	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]N[5a])(C[5]C[5,5a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	136.0810	0.000	1	136.0810	0.000	1	134.4156	2.699	36	134.3399	5.080	70	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]N[5a])(C[5]C[5,6]O)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]N[5a])(C[5]C[5,6]O){2|C<3>,3|C<4>,3|H<1>}	135.3640	0.000	1	135.3640	0.000	1	134.4156	2.699	36	134.3399	5.080	70	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]H){1|C<4>,1|H<1>,4|C<3>}	134.8600	0.000	1	134.8600	0.000	1	134.4156	2.699	36	134.3399	5.080	70	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]O)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]O){1|C<4>,1|H<1>,4|C<3>}	135.6880	0.130	2	135.6880	0.017	2	134.4156	2.699	36	134.3399	5.080	70	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]C)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]C){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	134.4190	0.000	1	134.7555	0.226	2	134.4156	2.699	36	134.3399	5.080	70	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]C)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]C){1|S<4>,2|H<1>,4|C<3>}	135.0920	0.000	1	134.7555	0.226	2	134.4156	2.699	36	134.3399	5.080	70	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]N)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]N){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	136.6680	0.000	1	136.6680	0.000	1	134.4156	2.699	36	134.3399	5.080	70	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]O)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|S<4>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]O){1|S<4>,2|C<3>,5|H<1>}	134.5265	0.026	2	135.2108	0.234	8	134.4156	2.699	36	134.3399	5.080	70	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]O)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	135.8420	0.000	1	135.2108	0.234	8	134.4156	2.699	36	134.3399	5.080	70	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]O)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	135.2175	0.276	2	135.2108	0.234	8	134.4156	2.699	36	134.3399	5.080	70	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]O)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	135.4950	0.204	2	135.2108	0.234	8	134.4156	2.699	36	134.3399	5.080	70	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]O)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]O){1|O<1>,2|H<1>,3|C<3>}	135.3660	0.000	1	135.2108	0.234	8	134.4156	2.699	36	134.3399	5.080	70	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]C[5])	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]C[5]){1|C<4>,1|S<4>,2|H<1>,5|C<3>}	135.9770	0.000	1	136.0990	0.030	2	134.4156	2.699	36	134.3399	5.080	70	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]C[5])	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]C[5]){1|C<4>,2|H<1>,6|C<3>}	136.2210	0.000	1	136.0990	0.030	2	134.4156	2.699	36	134.3399	5.080	70	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]C)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]C[5])(C[5]N[5]O)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]C)(H){1|H<1>,1|S<2>,3|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,3|C<3>}	130.8140	0.000	1	130.8140	0.000	1	134.4156	2.699	36	134.3399	5.080	70	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]C[6a])	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]C[6a]){1|H<1>,6|C<3>}	131.3887	0.339	3	131.3887	0.115	3	134.4156	2.699	36	134.3399	5.080	70	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]C[5])(C[5]C[5]C)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]C[5])(C[5]C[5]C){1|H<1>,4|C<3>}	131.3670	0.000	1	131.3670	0.000	1	134.4156	2.699	36	134.3399	5.080	70	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:N[5]-3:	C[5a,6a](C[5,5a]C[5,5a]N[5])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]O[5a]C[5])(N[5]C[5,5]S)	C[5a,6a](C[5,5a]C[5,5a]N[5])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]O[5a]C[5])(N[5]C[5,5]S){2|H<1>,5|C<3>}	138.5550	0.000	1	138.5550	0.000	1	135.4855	18.844	2	134.3399	5.080	70	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:N[5]-3:	C[5a,6a](C[5,5a]C[5,5a]N[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]C[5])(N[5]C[5]C)	C[5a,6a](C[5,5a]C[5,5a]N[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]C[5])(N[5]C[5]C){1|H<1>,1|O<1>,3|C<3>}	132.4160	0.000	1	132.4160	0.000	1	135.4855	18.844	2	134.3399	5.080	70	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,6]-3:C[5,5a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[6,6a]C[5,6])(C[5,5a]N[5a]C[5])	C[5a,6a](C[5,5a]C[5,5a]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[6,6a]C[5,6])(C[5,5a]N[5a]C[5]){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	135.7110	0.000	1	135.7110	0.000	1	135.7110	0.000	1	134.3399	5.080	70	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,6a]-3:C[5,5a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a,6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])	C[5a,6a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5]){2|H<1>,6|C<3>}	132.7680	0.000	1	132.7680	0.000	1	132.0768	3.140	8	134.3399	5.080	70	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,6a]-3:C[5,5a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]C[5])	C[5a,6a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]C[5]){1|C<4>,3|H<1>,4|C<3>}	135.6660	0.000	1	135.6660	0.000	1	132.0768	3.140	8	134.3399	5.080	70	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,6a]-3:C[5,5a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]O)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5,5]N[5a])	C[5a,6a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,1|S<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,3|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5,5]N[5a]){1|S<4>,2|H<1>,6|C<3>}	133.4990	0.000	1	133.4990	0.000	1	132.0768	3.140	8	134.3399	5.080	70	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,6a]-3:C[5,5a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]S[5a]C[5])	C[5a,6a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]S[5a]C[5]){2|H<1>,5|C<3>}	130.9362	0.154	5	130.9362	0.024	5	132.0768	3.140	8	134.3399	5.080	70	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:N[5]-3:	C[5a,6a](C[5,5a]N[5,5a]N[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(N[5,5a]N[5a]C[5])(N[5]C[5]C)	C[5a,6a](C[5,5a]N[5,5a]N[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(N[5,5a]N[5a]C[5])(N[5]C[5]C){2|C<3>,5|H<1>}	136.2210	0.679	2	136.2210	0.461	2	136.2210	0.461	2	134.3399	5.080	70	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5,5a,6a]-3:C[5a,6a]-3:C[5]-3:	C[5a,6a](C[5,5a]N[5,5a,6a]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](N[5,5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6]C[6a])	C[5a,6a](C[5,5a]N[5,5a,6a]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,5a](N[5,5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6]C[6a]){1|H<1>,8|C<3>}	132.5310	0.000	1	132.5310	0.000	1	132.8515	0.205	2	134.3399	5.080	70	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5,5a,6a]-3:C[5a,6a]-3:C[5]-3:	C[5a,6a](C[5,5a]N[5,5a,6a]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](N[5,5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[5]C[6a]O[5])	C[5a,6a](C[5,5a]N[5,5a,6a]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,5a](N[5,5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[5]C[6a]O[5]){1|H<1>,6|C<3>}	133.1720	0.000	1	133.1720	0.000	1	132.8515	0.205	2	134.3399	5.080	70	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]N[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O)	C[5a,6a](C[5,5a]C[5,5a]C[5])(N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,5a](C[5a,6a]N[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O){1|C<2>,2|C<3>,5|H<1>}	135.8800	0.000	1	135.8800	0.000	1	136.3175	0.383	2	134.3399	5.080	70	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]N[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]O[5]O)	C[5a,6a](C[5,5a]C[5,5a]C[5])(N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,5a](C[5a,6a]N[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]O[5]O){2|C<3>,2|C<4>,2|H<1>}	136.7550	0.000	1	136.7550	0.000	1	136.3175	0.383	2	134.3399	5.080	70	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:N[5]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5,5a]C[5,5a]N[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5,5a])(C[6a]C[5a,6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5,5a]C[5a,6a]N[5])(N[5]C[6a]P[5])	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5,5a]C[5,5a]N[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|P<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5,5a])(C[6a]C[5a,6a]H)(H){1|N<3>,4|C<3>}	C[5,5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5,5a]C[5a,6a]N[5])(N[5]C[6a]P[5]){1|H<1>,6|C<3>}	140.4115	0.549	2	140.4115	0.302	2	140.4115	0.302	2	134.3399	5.080	70	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[5,5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5,5a]C[5,5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5,5a]C[5a,6a]C[5,5a])(C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]P[5])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5,5a]C[5,5a]2)(C[6a]C[6a]H){1|C<4>,1|P<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5,5a])(C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]P[5]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	135.7690	0.669	2	135.7690	0.447	2	135.7690	0.447	2	134.3399	5.080	70	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5,5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5,5a]C[5,5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]Cl)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5,5]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5,5a]C[5,5a]2)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5,5]N[5a]){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	134.5550	0.000	2	134.5550	0.000	2	135.3533	1.912	3	134.3399	5.080	70	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5,5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5,5a]C[5,5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5a])(C[5,5a]N[5a]C[5])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5,5a]C[5,5a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5a])(C[5,5a]N[5a]C[5]){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	136.9500	0.000	1	136.9500	0.000	1	135.3533	1.912	3	134.3399	5.080	70	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5,5a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5,5a,6a]C[5,6a]N[5,5a])(C[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5,5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5,5a,6a]C[6a])(C[5,5a]N[5,5a]C[5,6])(C[5]C[5,6]HH)	C[5a,6a](C[5,5a,6a]C[5,6a]N[5,5a])(C[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	C[6a](C[5a,6a]C[5,5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,5a](C[5a,6a]C[5,5a,6a]C[6a])(C[5,5a]N[5,5a]C[5,6])(C[5]C[5,6]HH){2|C<3>,2|H<1>,4|C<4>}	144.3100	0.000	2	144.3100	0.000	2	144.3100	0.000	2	133.9163	7.445	98	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:Si[5]-4:	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]S[5a])(Si[5]C[5,6a]CC)	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){1|H<1>,1|S<2>,2|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[5a,6a]C[5a,6a]S[5a])(H){1|Si<4>,1|S<2>,4|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]S[5a])(Si[5]C[5,6a]CC){1|H<1>,4|C<3>}	129.4010	0.000	1	129.4010	0.000	1	129.4010	0.000	1	133.9163	7.445	98	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:B[5]-4:	C[5a,6a](C[5,5a]C[5,5a]B[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]S[5a])(B[5]N[5,6]CC)	C[5a,6a](C[5,5a]C[5,5a]B[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]S[5a])(B[5]N[5,6]CC){1|H<1>,4|C<3>}	129.0770	0.000	1	129.0770	0.000	1	129.0770	0.000	1	133.9163	7.445	98	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]Cl)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	134.4330	0.503	2	134.4330	0.253	2	134.9151	1.623	48	133.9163	7.445	98	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]Cl)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]N[5])(C[5]C[6a]C[5]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]N[5])(C[5]C[6a]C[5]H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	135.2870	0.000	1	135.2870	0.000	1	134.9151	1.623	48	133.9163	7.445	98	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]F)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH){2|C<3>,2|C<4>,2|H<1>}	133.4320	0.000	1	133.4320	0.000	1	134.9151	1.623	48	133.9163	7.445	98	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])(C[5]C[5,5]HH)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])(C[5]C[5,5]HH){1|C<4>,1|O<2>,1|S<4>,2|H<1>,3|C<3>}	133.6150	0.000	1	134.4390	1.358	2	134.9151	1.623	48	133.9163	7.445	98	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])(C[5]C[5,5]HH)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])(C[5]C[5,5]HH){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	135.2630	0.000	1	134.4390	1.358	2	134.9151	1.623	48	133.9163	7.445	98	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])(C[5]C[5]CH)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])(C[5]C[5]CH){1|C<4>,2|H<1>,2|S<2>,3|C<3>}	136.0360	0.000	2	136.0360	0.000	2	134.9151	1.623	48	133.9163	7.445	98	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])(C[5]C[5]HH)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	135.8250	0.000	1	135.8250	0.000	1	134.9151	1.623	48	133.9163	7.445	98	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]N[5a])(C[5]C[5,6]HH)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]N[5a])(C[5]C[5,6]HH){2|C<3>,3|C<4>,3|H<1>}	135.6176	0.203	10	135.2268	0.823	13	134.9151	1.623	48	133.9163	7.445	98	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]N[5a])(C[5]C[5,6]HH)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]N[5a])(C[5]C[5,6]HH){2|C<4>,3|C<3>,3|H<1>}	135.3110	0.000	1	135.2268	0.823	13	134.9151	1.623	48	133.9163	7.445	98	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]N[5a])(C[5]C[5,6]HH)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Si<4>,1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]N[5a])(C[5]C[5,6]HH){1|Si<4>,2|C<3>,2|H<1>,3|C<4>}	133.2310	0.000	2	135.2268	0.823	13	134.9151	1.623	48	133.9163	7.445	98	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]N[5a])(C[5]C[5,6]HS)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|S<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]N[5a])(C[5]C[5,6]HS){1|C<4>,1|N<3>,1|S<4>,2|C<3>,3|H<1>}	135.1780	0.000	1	135.1780	0.000	1	134.9151	1.623	48	133.9163	7.445	98	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]CC)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|H<1>,4|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]CC){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	133.7940	0.000	1	134.1573	5.402	4	134.9151	1.623	48	133.9163	7.445	98	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]CC)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|H<1>,5|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]CC){2|C<4>,3|C<3>,3|H<1>}	135.6480	0.000	1	134.1573	5.402	4	134.9151	1.623	48	133.9163	7.445	98	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]CC)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]CC){1|C<4>,3|H<1>,4|C<3>}	133.5935	3.635	2	134.1573	5.402	4	134.9151	1.623	48	133.9163	7.445	98	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]C[6]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]C[6]H){3|H<1>,7|C<3>}	135.8380	0.000	1	135.8380	0.000	1	134.9151	1.623	48	133.9163	7.445	98	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	134.2660	0.000	1	134.4376	1.983	10	134.9151	1.623	48	133.9163	7.445	98	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH){1|S<4>,3|C<3>,4|H<1>}	134.2550	0.000	1	134.4376	1.983	10	134.9151	1.623	48	133.9163	7.445	98	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH){1|S<4>,3|H<1>,4|C<3>}	134.0140	0.000	1	134.4376	1.983	10	134.9151	1.623	48	133.9163	7.445	98	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH){3|C<3>,5|H<1>}	130.7180	0.000	1	134.4376	1.983	10	134.9151	1.623	48	133.9163	7.445	98	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH){4|C<3>,4|H<1>}	135.2910	0.000	1	134.4376	1.983	10	134.9151	1.623	48	133.9163	7.445	98	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	135.2417	0.299	4	134.4376	1.983	10	134.9151	1.623	48	133.9163	7.445	98	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH){1|C<4>,1|H<1>,2|C<3>,2|O<1>}	134.8650	0.000	1	134.4376	1.983	10	134.9151	1.623	48	133.9163	7.445	98	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5a]C[5]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5a]C[5]H){1|N<3>,3|H<1>,6|C<3>}	134.9660	0.000	1	134.9660	0.000	1	134.9151	1.623	48	133.9163	7.445	98	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]C[5]C)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]C[5]C){1|C<4>,3|H<1>,6|C<3>}	136.1795	0.271	2	136.1795	0.073	2	134.9151	1.623	48	133.9163	7.445	98	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]C[5]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]C[5]H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	134.6500	0.000	1	135.4610	0.503	3	134.9151	1.623	48	133.9163	7.445	98	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]C[5]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]C[5]H){1|C<4>,3|H<1>,6|C<3>}	135.9660	0.000	1	135.4610	0.503	3	134.9151	1.623	48	133.9163	7.445	98	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]C[5]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]C[5]H){4|H<1>,6|C<3>}	135.7670	0.000	1	135.4610	0.503	3	134.9151	1.623	48	133.9163	7.445	98	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]N[5]HH)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|S<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]N[5]HH){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	134.8630	0.000	1	134.8630	0.000	1	134.9151	1.623	48	133.9163	7.445	98	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]N[5a]C[5]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]N[5a]C[5]H){3|H<1>,7|C<3>}	135.8770	0.000	1	135.8770	0.000	1	134.9151	1.623	48	133.9163	7.445	98	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]S[5])(C[5]C[6a]C[5]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]S[5])(C[5]C[6a]C[5]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	135.5350	0.000	1	135.5350	0.000	1	134.9151	1.623	48	133.9163	7.445	98	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]C[6a]2)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]C[6a]2){1|H<1>,8|C<3>}	131.6100	0.000	1	131.6100	0.000	1	134.9151	1.623	48	133.9163	7.445	98	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:Ge[5]-4:	C[5a,6a](C[5,5a]C[5,5a]Ge[5])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[4,5,5]O[5a])(Ge[5]C[4,5,5]C[6a]2)	C[5a,6a](C[5,5a]C[5,5a]Ge[5])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|Ge<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[4,5,5]O[5a])(Ge[5]C[4,5,5]C[6a]2){1|H<1>,1|O<2>,2|C<4>,7|C<3>}	135.7380	0.000	1	135.7380	0.000	1	136.2725	0.571	2	133.9163	7.445	98	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:Ge[5]-4:	C[5a,6a](C[5,5a]C[5,5a]Ge[5])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]O[5a])(Ge[5]C[5,5a]C[6a]2)	C[5a,6a](C[5,5a]C[5,5a]Ge[5])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|Ge<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]O[5a])(Ge[5]C[5,5a]C[6a]2){1|H<1>,1|O<2>,7|C<3>}	136.8070	0.000	1	136.8070	0.000	1	136.2725	0.571	2	133.9163	7.445	98	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:P[5]-4:	C[5a,6a](C[5,5a]C[5,5a]P[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]N[5a])(P[5]C[5,5a]C[6a]O)	C[5a,6a](C[5,5a]C[5,5a]P[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<4>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]N[5a])(P[5]C[5,5a]C[6a]O){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	134.4475	0.432	2	134.4475	0.187	2	132.6672	6.560	23	133.9163	7.445	98	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:P[5]-4:	C[5a,6a](C[5,5a]C[5,5a]P[5])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]O[5a])(P[5]C[5,5a]C[6a]O)	C[5a,6a](C[5,5a]C[5,5a]P[5])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|P<4>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]O[5a])(P[5]C[5,5a]C[6a]O){1|H<1>,1|O<2>,5|C<3>}	136.1890	0.542	2	136.1890	0.293	2	132.6672	6.560	23	133.9163	7.445	98	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:P[5]-4:	C[5a,6a](C[5,5a]C[5,5a]P[5])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]O[5a])(P[5]C[5,5a]C[6a]S)	C[5a,6a](C[5,5a]C[5,5a]P[5])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|S<1>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|P<4>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]O[5a])(P[5]C[5,5a]C[6a]S){1|H<1>,1|O<2>,5|C<3>}	136.6248	0.260	4	136.6248	0.067	4	132.6672	6.560	23	133.9163	7.445	98	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:P[5]-4:	C[5a,6a](C[5,5a]C[5,5a]P[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]S[5a])(P[5]C[5,5a]C[5a]O)	C[5a,6a](C[5,5a]C[5,5a]P[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,1|S<2>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]S[5a])(P[5]C[5,5a]C[5a]O){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	131.2873	0.402	4	131.2873	0.162	4	132.6672	6.560	23	133.9163	7.445	98	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:P[5]-4:	C[5a,6a](C[5,5a]C[5,5a]P[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]S[5a])(P[5]C[5,5a]C[6a]C)	C[5a,6a](C[5,5a]C[5,5a]P[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,1|S<2>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]S[5a])(P[5]C[5,5a]C[6a]C){1|H<1>,1|S<2>,5|C<3>}	130.9930	0.413	6	130.9930	0.170	6	132.6672	6.560	23	133.9163	7.445	98	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:P[5]-4:	C[5a,6a](C[5,5a]C[5,5a]P[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]S[5a])(P[5]C[5,6a]C[6a]C)	C[5a,6a](C[5,5a]C[5,5a]P[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,1|S<2>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]S[5a])(P[5]C[5,6a]C[6a]C){1|H<1>,6|C<3>}	130.7140	0.000	1	130.7140	0.000	1	132.6672	6.560	23	133.9163	7.445	98	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:P[5]-4:	C[5a,6a](C[5,5a]C[5,5a]P[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]S[5a])(P[5]C[5,6a]C[6a]O)	C[5a,6a](C[5,5a]C[5,5a]P[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,1|S<2>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]S[5a])(P[5]C[5,6a]C[6a]O){1|H<1>,6|C<3>}	130.0290	0.000	1	130.4773	0.181	3	132.6672	6.560	23	133.9163	7.445	98	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:P[5]-4:	C[5a,6a](C[5,5a]C[5,5a]P[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]S[5a])(P[5]C[5,6a]C[6a]O)	C[5a,6a](C[5,5a]C[5,5a]P[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|P<4>,1|S<2>,3|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]S[5a])(P[5]C[5,6a]C[6a]O){1|H<1>,6|C<3>}	130.7015	0.247	2	130.4773	0.181	3	132.6672	6.560	23	133.9163	7.445	98	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:P[5]-4:	C[5a,6a](C[5,5a]C[5,5a]P[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]C[5])(P[5]C[6a]C[5]O)	C[5a,6a](C[5,5a]C[5,5a]P[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,1|S<2>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]C[5])(P[5]C[6a]C[5]O){1|H<1>,6|C<3>}	130.3200	0.000	1	130.3200	0.000	1	132.6672	6.560	23	133.9163	7.445	98	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:S[5]-4:	C[5a,6a](C[5,5a]C[5,5a]S[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]S[5a])(S[5]C[5,6a]OO)	C[5a,6a](C[5,5a]C[5,5a]S[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,1|S<4>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]S[5a])(S[5]C[5,6a]OO){1|H<1>,4|C<3>}	130.7770	0.239	2	130.7770	0.057	2	130.7770	0.057	2	133.9163	7.445	98	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:Si[5]-4:	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]C)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(Si[5]C[5,6a]C[6a]C)	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,3|C<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]C)(H){1|Si<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(Si[5]C[5,6a]C[6a]C){1|C<4>,1|H<1>,6|C<3>}	134.0960	0.000	1	134.0960	0.000	1	132.7158	4.020	17	133.9163	7.445	98	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:Si[5]-4:	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]Cl)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(Si[5]C[5,6a]CC)	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]Cl)(H){1|Si<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(Si[5]C[5,6a]CC){1|C<4>,1|H<1>,4|C<3>}	133.3920	0.000	1	133.3920	0.000	1	132.7158	4.020	17	133.9163	7.445	98	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:Si[5]-4:	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(Si[5]C[5,6a]CC)	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(Si[5]C[5,6a]CC){1|H<1>,1|S<4>,4|C<3>}	132.5100	0.000	1	133.7615	0.448	6	132.7158	4.020	17	133.9163	7.445	98	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:Si[5]-4:	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(Si[5]C[5,6a]CC)	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(Si[5]C[5,6a]CC){1|H<1>,5|C<3>}	134.1970	0.000	2	133.7615	0.448	6	132.7158	4.020	17	133.9163	7.445	98	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:Si[5]-4:	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(Si[5]C[5,6a]CC)	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(Si[5]C[5,6a]CC){1|C<4>,1|H<1>,4|C<3>}	133.8883	0.352	3	133.7615	0.448	6	132.7158	4.020	17	133.9163	7.445	98	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:Si[5]-4:	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(Si[5]C[5,6a]C[6a]C)	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(Si[5]C[5,6a]C[6a]C){1|C<4>,1|H<1>,6|C<3>}	133.8805	0.100	2	133.8805	0.010	2	132.7158	4.020	17	133.9163	7.445	98	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:Si[5]-4:	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(Si[5]C[5]CC)	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|H<1>,5|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(Si[5]C[5]CC){1|Si<4>,1|C<4>,3|C<3>,3|H<1>}	134.1030	0.000	1	134.1030	0.000	1	132.7158	4.020	17	133.9163	7.445	98	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:Si[5]-4:	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[4,5,5]O[5a])(Si[5]C[4,5,5]C[6a]2)	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[4,5,5]O[5a])(Si[5]C[4,5,5]C[6a]2){1|H<1>,1|O<2>,2|C<4>,7|C<3>}	135.0610	0.000	1	135.0610	0.000	1	132.7158	4.020	17	133.9163	7.445	98	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:Si[5]-4:	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]S[5a])(Si[5]C[5,5a]CC)	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]S[5a])(Si[5]C[5,5a]CC){1|H<1>,1|S<2>,3|C<3>}	129.7895	0.542	2	129.7895	0.294	2	132.7158	4.020	17	133.9163	7.445	98	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:Si[5]-4:	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]S[5a])(Si[5]C[5,6a]CC)	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]S[5a])(Si[5]C[5,6a]CC){1|H<1>,4|C<3>}	129.6130	0.000	1	129.6130	0.000	1	132.7158	4.020	17	133.9163	7.445	98	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:Si[5]-4:	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]C[5])(Si[5]C[5]CC)	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]C[5])(Si[5]C[5]CC){1|H<1>,4|C<3>}	129.9970	1.083	2	129.9970	1.174	2	132.7158	4.020	17	133.9163	7.445	98	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5,6a]-3:O-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]N[6a]S[5a])(C[6a]N[5,6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(N[5,6a]C[5,6a]C[5])(O)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]C[5])(C[5]C[5]HH)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]N[6a]S[5a])(C[6a]N[5,6a]O){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(N[5,6a]C[5,6a]C[5])(O){1|C<3>,1|N<2>,1|S<2>,2|H<1>,3|C<4>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]C[5])(C[5]C[5]HH){1|N<2>,1|N<3>,1|O<1>,4|H<1>}	129.8000	0.000	1	129.8000	0.000	1	129.8000	0.000	1	133.9163	7.445	98	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(N[6a]C[6a]2)(O)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]C[5])(C[5]C[5]HH)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(N[6a]C[6a]2)(O){1|C<4>,1|N<2>,1|N<3>,1|S<2>,3|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]C[5])(C[5]C[5]HH){1|N<2>,1|N<3>,1|O<1>,4|H<1>}	129.3690	0.000	1	129.3690	0.000	1	129.3690	0.000	1	133.9163	7.445	98	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:4:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5]-4:C[5,5a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[5,5a]N[5a]N[5])	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[5,5a]N[5a]N[5]){1|O<2>,1|S<4>,2|C<3>,2|C<4>,4|H<1>}	135.0800	0.000	1	135.0800	0.000	1	134.6241	2.632	8	134.7832	2.531	9	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:4:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5]-4:C[5,5a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5]C[5,5]C[5]O)(C[5,5a]N[5a]C[5])	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<4>,2|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5]C[5,5]C[5]O)(C[5,5a]N[5a]C[5]){1|S<4>,2|C<4>,3|C<3>,5|H<1>}	134.4530	0.809	2	134.4530	0.654	2	134.6241	2.632	8	134.7832	2.531	9	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:4:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5]-4:C[5,5a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5]C[5,5]O[5]H)(C[5,5a]N[5a]C[5])	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<4>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5]C[5,5]O[5]H)(C[5,5a]N[5a]C[5]){1|S<4>,2|C<4>,3|C<3>,3|H<1>}	134.4550	0.000	1	134.4550	0.000	1	134.6241	2.632	8	134.7832	2.531	9	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:4:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5]-4:C[5,5a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5,5a]N[5a]C[5])	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5,5a]N[5a]C[5]){1|N<3>,1|O<1>,4|H<1>,6|C<3>}	135.1270	0.000	1	135.1270	0.000	1	134.6241	2.632	8	134.7832	2.531	9	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:4:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5]-4:C[5,5a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]N)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[5,5a]N[5a]C[5])	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[5,5a]N[5a]C[5]){1|C<4>,1|I<1>,2|H<1>,6|C<3>}	136.1355	0.784	2	136.1355	0.615	2	134.6241	2.632	8	134.7832	2.531	9	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:4:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5]-4:C[5,5a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5,5a]S[5a]C[5])	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5,5a]S[5a]C[5]){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	131.1540	0.000	1	131.1540	0.000	1	134.6241	2.632	8	134.7832	2.531	9	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:4:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,6]-4:C[5,5a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,5a]N[5a]C[5])	C[5a,6a](C[5,5a]C[5,5a]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,5a]N[5a]C[5]){1|C<2>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	136.0560	0.000	1	136.0560	0.000	1	136.0560	0.000	1	134.7832	2.531	9	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	4:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5,6,6]-4:C[5a,6a]-3:C[5,5a]-3:	C[5a,6a](C[5,5a]C[5,5,6,6]C[5,5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])	C[5a,6a](C[5,5a]C[5,5,6,6]C[5,5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,5a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5]){1|C<4>,1|S<4>,4|H<1>,7|C<3>}	134.5665	0.549	2	134.5665	0.302	2	134.5665	0.302	2	133.4167	3.177	7	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	4:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5a,6a]-3:C[5,5a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5,5]C[5,5]C[6a]O[5])(C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,5a](C[5,5]C[5,5]C[6a]O[5])(C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5]){1|S<4>,2|C<4>,4|C<3>,4|H<1>}	134.0040	0.000	1	134.0040	0.000	1	132.9568	3.765	5	133.4167	3.177	7	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	4:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5a,6a]-3:C[5,5a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5,5]C[5,5a]C[3x5]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,5a](C[5,5]C[5,5a]C[3x5]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a]){1|O<2>,1|S<4>,2|C<4>,2|H<1>,6|C<3>}	134.8970	0.000	1	134.8970	0.000	1	132.9568	3.765	5	133.4167	3.177	7	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	4:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5a,6a]-3:C[5,5a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5,5]C[5,5a]C[3x5]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,5a](C[5,5]C[5,5a]C[3x5]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5]){1|S<4>,2|C<4>,3|H<1>,6|C<3>}	133.9120	0.000	1	133.9120	0.000	1	132.9568	3.765	5	133.4167	3.177	7	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	4:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5a,6a]-3:C[5,5a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a](C[5,5]C[5,5a]C[5,6a]2)(C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]S[5a])	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,5a](C[5,5]C[5,5a]C[5,6a]2)(C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]S[5a]){1|H<1>,8|C<3>}	130.9855	1.231	2	130.9855	1.516	2	132.9568	3.765	5	133.4167	3.177	7	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:2:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(OC)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]O)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]O){1|O<2>,5|C<3>}	136.5680	0.000	1	136.5680	0.000	1	136.5680	0.000	1	136.5680	0.000	1	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5,5]-4:	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5,5a]C[5,5a]C[5,5])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]O[5a])(C[5,5]C[5,6a]2C[5])	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5,5a]C[5,5a]C[5,5])(C[6a]C[6a]2){1|H<1>,8|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]O[5a])(C[5,5]C[5,6a]2C[5]){1|N<3>,1|O<1>,7|C<3>}	136.7165	0.313	2	136.7165	0.098	2	136.7165	0.098	2	136.7165	0.098	2	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:4:	3:3:4:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(CC3)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]N[5a])(C[5]C[5,6]HH)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(CC3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]N[5a])(C[5]C[5,6]HH){2|C<3>,2|H<1>,4|C<4>}	135.5140	0.000	1	135.5140	0.000	1	135.5140	0.000	1	135.5140	0.000	1	134.0880	6.295	191	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:2:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a]-3:C[5a,5a]-3:N[5a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(N[6a]C[6a])(Cl)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(N[5a]C[5a]C)	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(N[6a]C[6a])(Cl){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(N[5a]C[5a]C){1|Cl<1>,2|N<2>,3|H<1>}	142.2390	0.000	1	142.2390	0.000	1	142.2390	0.000	1	142.2390	0.000	1	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:2:4:	3:3:2:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a,6a]S[5a])(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(N[6a]C[6a,6a])(CH3)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a,6a]S[5a])(C[6a]N[6a]C){4|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(N[6a]C[6a,6a])(CH3){2|S<2>,3|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	131.1880	0.000	1	131.1880	0.000	1	131.1880	0.000	1	131.1880	0.000	1	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5,6a]C[5,5a]C[5,6a])(H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]2)(S[5a]C[5a])	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5,6a]C[5,5a]C[5,6a])(H){2|S<2>,5|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]2)(S[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	132.3170	0.000	1	132.3170	0.000	1	132.9350	0.286	3	131.9116	3.371	148	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5,6a]C[5,6a]C[5])(H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]2)(S[5a]C[5a])	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5,6a]C[5,6a]C[5])(H){1|S<2>,6|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]2)(S[5a]C[5a]){3|C<3>,3|H<1>}	133.2440	0.000	2	133.2440	0.000	2	132.9350	0.286	3	131.9116	3.371	148	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[5a])(H)	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[5a])(H){1|H<1>,3|C<3>,3|S<2>}	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	130.8178	0.447	6	130.8178	0.200	6	131.0283	0.304	8	131.9116	3.371	148	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]S[5a])(H){2|S<2>,4|C<3>}	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	131.6595	0.265	2	131.6595	0.070	2	131.0283	0.304	8	131.9116	3.371	148	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[5a])(H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]2)(S[5a]C[5a])	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[5a])(H){1|O<1>,1|S<2>,5|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]2)(S[5a]C[5a]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	132.6610	0.000	1	132.6610	0.000	1	131.1559	3.744	7	131.9116	3.371	148	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]N[5a])(H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(S[5a]C[5a])	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]N[5a])(H){1|C<4>,1|N<3>,1|S<2>,4|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	134.9550	0.000	1	134.9550	0.000	1	131.1559	3.744	7	131.9116	3.371	148	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]S[5a])(H){2|S<2>,4|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){2|C<3>,3|H<1>}	130.0380	0.153	4	130.0950	0.034	5	131.1559	3.744	7	131.9116	3.371	148	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]S[5a])(H){2|S<2>,4|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){2|H<1>,3|C<3>}	130.3230	0.000	1	130.0950	0.034	5	131.1559	3.744	7	131.9116	3.371	148	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,2|S<2>,4|C<3>}	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	131.2189	1.112	16	131.2189	1.236	16	131.2189	1.236	16	131.9116	3.371	148	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,5a](C[5a,5a]N[5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,5a](C[5a,5a]N[5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){1|C<4>,1|H<1>,4|C<3>}	135.4510	0.000	1	135.4510	0.000	1	135.4510	0.000	1	131.9116	3.371	148	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,6a](C[5a,5a]C[5a,5a]O[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]Cl)(H)	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])	C[5a,6a](C[5a,5a]C[5a,5a]O[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a]){2|H<1>,4|C<3>}	137.0440	0.000	1	137.0440	0.000	1	133.8717	4.725	7	131.9116	3.371	148	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,6a](C[5a,5a]C[5a,5a]O[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])	C[5a,6a](C[5a,5a]C[5a,5a]O[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a]){2|H<1>,4|C<3>}	136.9390	0.000	1	136.9390	0.000	1	133.8717	4.725	7	131.9116	3.371	148	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,6a](C[5a,5a]C[5a,5a]O[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,5a])	C[5a,6a](C[5a,5a]C[5a,5a]O[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,5a]){1|H<1>,1|S<2>,3|C<3>}	133.0890	0.000	1	133.0890	0.000	1	133.8717	4.725	7	131.9116	3.371	148	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,6a](C[5a,5a]C[5a,5a]O[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])	C[5a,6a](C[5a,5a]C[5a,5a]O[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a]){1|H<1>,4|C<3>}	132.2683	0.259	3	132.5075	0.273	4	133.8717	4.725	7	131.9116	3.371	148	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,6a](C[5a,5a]C[5a,5a]O[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])	C[5a,6a](C[5a,5a]C[5a,5a]O[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|O<2>,1|S<2>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a]){1|H<1>,4|C<3>}	133.2250	0.000	1	132.5075	0.273	4	133.8717	4.725	7	131.9116	3.371	148	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,5a])	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,5a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	135.5048	0.284	6	135.4570	0.093	9	131.8783	3.317	98	131.9116	3.371	148	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,5a])	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,5a]){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	135.0240	0.000	1	135.4570	0.093	9	131.8783	3.317	98	131.9116	3.371	148	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,5a])	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,5a]){1|H<1>,1|N<3>,4|C<3>}	135.5300	0.358	2	135.4570	0.093	9	131.8783	3.317	98	131.9116	3.371	148	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]Cl)(H)	C[5a,5a](C[5a,5a]C[5a,6a]O[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5a,5a](C[5a,5a]C[5a,6a]O[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	136.8850	0.000	1	136.8850	0.000	1	131.8783	3.317	98	131.9116	3.371	148	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,5a](C[5a,5a]C[5a,6a]O[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,1|S<2>,2|C<3>}	C[5a,5a](C[5a,5a]C[5a,6a]O[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	137.9920	0.000	1	137.3217	0.482	3	131.8783	3.317	98	131.9116	3.371	148	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,5a](C[5a,5a]C[5a,6a]O[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5a,5a](C[5a,5a]C[5a,6a]O[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	137.3670	0.000	1	137.3217	0.482	3	131.8783	3.317	98	131.9116	3.371	148	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,5a](C[5a,5a]C[5a,6a]O[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|O<2>,1|S<2>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a,6a]O[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	136.6060	0.000	1	137.3217	0.482	3	131.8783	3.317	98	131.9116	3.371	148	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,5a])	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,5a]){1|H<1>,1|S<2>,3|C<3>}	131.8490	0.000	1	131.3150	0.315	5	131.8783	3.317	98	131.9116	3.371	148	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,5a])	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,5a]){1|H<1>,1|N<3>,3|C<3>}	130.3740	0.000	1	131.3150	0.315	5	131.8783	3.317	98	131.9116	3.371	148	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,5a])	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,5a]){1|H<1>,1|S<2>,3|C<3>}	131.4507	0.130	3	131.3150	0.315	5	131.8783	3.317	98	131.9116	3.371	148	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|S<2>}	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	129.7910	0.000	1	131.3370	0.619	74	131.8783	3.317	98	131.9116	3.371	148	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|S<2>}	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	131.5300	0.000	2	131.3370	0.619	74	131.8783	3.317	98	131.9116	3.371	148	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|S<2>}	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	131.7832	0.663	21	131.3370	0.619	74	131.8783	3.317	98	131.9116	3.371	148	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|S<2>}	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	130.9474	0.760	27	131.3370	0.619	74	131.8783	3.317	98	131.9116	3.371	148	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|S<2>}	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	131.1526	0.461	7	131.3370	0.619	74	131.8783	3.317	98	131.9116	3.371	148	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|S<4>,2|C<3>,2|S<2>}	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	130.5370	0.000	1	131.3370	0.619	74	131.8783	3.317	98	131.9116	3.371	148	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|Si<4>,2|C<3>,2|S<2>}	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	131.3590	0.006	3	131.3370	0.619	74	131.8783	3.317	98	131.9116	3.371	148	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){2|S<2>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	131.6980	0.793	12	131.3370	0.619	74	131.8783	3.317	98	131.9116	3.371	148	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]O)(H)	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,2|S<2>}	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	129.6700	0.321	3	130.0997	0.425	6	131.8783	3.317	98	131.9116	3.371	148	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]O)(H)	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,2|S<2>}	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	130.5293	0.636	3	130.0997	0.425	6	131.8783	3.317	98	131.9116	3.371	148	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:N[5a]-2:	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]S[5a]2)(N[5a]C[5a])	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]S[5a]2)(N[5a]C[5a]){1|H<1>,3|C<3>}	130.3795	0.159	2	130.3795	0.025	2	130.3795	0.025	2	131.9116	3.371	148	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:O[5a]-2:	C[5a,6a](C[5a,5a]C[5a,5a]O[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(O[5a]C[5a])	C[5a,6a](C[5a,5a]C[5a,5a]O[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	134.3100	0.000	1	134.3100	0.000	1	134.3100	0.000	1	131.9116	3.371	148	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|S<2>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){2|H<1>,3|C<3>}	131.1550	0.000	1	131.1550	0.000	1	131.1550	0.000	1	131.9116	3.371	148	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,5a,6]-3:N[5a]-2:	C[5a,6a](C[5a,5a]N[5a,5a,6]N[5a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a,6]C[5a,6]2)(N[5a]C[5a])	C[5a,6a](C[5a,5a]N[5a,5a,6]N[5a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a,6]C[5a,6]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	133.0200	0.000	1	132.9635	0.006	2	132.9635	0.006	2	131.9116	3.371	148	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,5a,6]-3:N[5a]-2:	C[5a,6a](C[5a,5a]N[5a,5a,6]N[5a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a,6]C[5a,6]2)(N[5a]C[5a])	C[5a,6a](C[5a,5a]N[5a,5a,6]N[5a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a,6]C[5a,6]2)(N[5a]C[5a]){1|H<1>,5|C<3>}	132.9070	0.000	1	132.9635	0.006	2	132.9635	0.006	2	131.9116	3.371	148	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,5a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,5a]N[5a,5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]O)(H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a,6a]C[5a,6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,5a]N[5a,5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]O)(H){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a,6a]C[5a,6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	132.3340	0.000	1	132.3340	0.000	1	132.3340	0.000	1	131.9116	3.371	148	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a,6a]-3:C[5a,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]C[5a,5a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,5a])(C[6a]C[6a]H)(H)	C[5a,5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,5a]C[5a,6a]C[5,5a])(S[5a]C[5,5a])	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]C[5a,5a]S[5a])(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,5a]C[5a,6a]C[5,5a])(S[5a]C[5,5a]){1|H<1>,5|C<3>}	137.1800	0.000	1	137.1800	0.000	1	137.1800	0.000	1	131.9116	3.371	148	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[5a,5a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]C[5,5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])	C[5a,6a](C[5a,5a]C[5a,5a]C[5,5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a]){1|Zn<5>,1|H<1>,6|C<3>}	131.3820	0.308	2	131.3820	0.095	2	132.0040	0.548	4	134.1005	6.672	93	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[5a,5a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]C[5,5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])	C[5a,6a](C[5a,5a]C[5a,5a]C[5,5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a]){1|C<2>,1|H<1>,5|C<3>}	132.6260	0.000	2	132.6260	0.000	2	132.0040	0.548	4	134.1005	6.672	93	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:B[5a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]B[5a])(C[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,5a](C[5a,5a]C[5a,6a]B[5a])(C[5a,6a]C[5a,6a]C[6a])(B[5a]C[5a,6a]C[6a])	C[5a,6a](C[5a,5a]C[5a,5a]B[5a])(C[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|B<3>,2|C<3>}	C[5a,5a](C[5a,5a]C[5a,6a]B[5a])(C[5a,6a]C[5a,6a]C[6a])(B[5a]C[5a,6a]C[6a]){1|H<1>,7|C<3>}	127.3490	0.000	1	127.3490	0.000	1	127.3490	0.000	1	134.1005	6.672	93	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,5a]C[6a])	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,5a]C[6a]){1|N<3>,2|H<1>,5|C<3>}	137.0230	0.430	2	137.0230	0.185	2	134.7182	7.196	21	134.1005	6.672	93	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C){1|H<1>,1|S<4>,4|C<3>}	135.2440	0.000	1	136.7253	2.385	3	134.7182	7.196	21	134.1005	6.672	93	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C){1|C<4>,1|H<1>,4|C<3>}	137.4660	1.216	2	136.7253	2.385	3	134.7182	7.196	21	134.1005	6.672	93	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H){2|H<1>,4|C<3>}	136.9070	0.956	3	136.9070	0.913	3	134.7182	7.196	21	134.1005	6.672	93	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S){1|C<4>,1|H<1>,4|C<3>}	137.8520	0.000	1	137.8520	0.000	1	134.7182	7.196	21	134.1005	6.672	93	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,5a](C[5a,5a]C[5a,6a]O[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|Br<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,5a](C[5a,5a]C[5a,6a]O[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H){1|H<1>,4|C<3>}	137.6530	0.000	1	137.6465	0.000	2	134.7182	7.196	21	134.1005	6.672	93	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,5a](C[5a,5a]C[5a,6a]O[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,5a](C[5a,5a]C[5a,6a]O[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H){1|H<1>,4|C<3>}	137.6400	0.000	1	137.6465	0.000	2	134.7182	7.196	21	134.1005	6.672	93	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,5a]C)	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,5a]C){1|H<1>,1|S<2>,3|C<3>}	132.9020	0.096	3	132.9020	0.009	3	134.7182	7.196	21	134.1005	6.672	93	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,5a]C[6a])	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,5a]C[6a]){1|H<1>,1|S<2>,5|C<3>}	132.0580	0.785	3	132.0580	0.617	3	134.7182	7.196	21	134.1005	6.672	93	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,5a]H)	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,5a]H){1|H<1>,1|S<2>,3|C<3>}	131.5285	0.079	4	131.5285	0.006	4	134.7182	7.196	21	134.1005	6.672	93	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]Br)(H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H){1|H<1>,4|C<3>}	133.4240	0.000	1	133.4240	0.000	1	134.3137	4.840	24	134.1005	6.672	93	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5,5a]N[5a])(C[5a]C[5,5a]C[6a])	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5,5a]N[5a])(C[5a]C[5,5a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	136.2520	0.000	1	136.2520	0.000	1	134.3137	4.840	24	134.1005	6.672	93	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(C[5a]N[5a]C)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(C[5a]N[5a]C){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	133.6810	0.000	1	133.6810	0.000	1	134.3137	4.840	24	134.1005	6.672	93	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a,6]N[5a])(C[5a]C[5a,6]H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a,6]N[5a])(C[5a]C[5a,6]H){1|B<4>,2|H<1>,3|C<3>}	135.3150	0.000	1	135.3150	0.000	1	134.3137	4.840	24	134.1005	6.672	93	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(C[5a]C[5a]C)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(C[5a]C[5a]C){1|C<4>,1|H<1>,4|C<3>}	135.6360	0.000	1	135.6360	0.000	1	134.3137	4.840	24	134.1005	6.672	93	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(C[5a]C[5a]H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,1|S<4>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(C[5a]C[5a]H){2|C<3>,2|H<1>,2|S<4>}	134.5250	0.000	1	135.2575	1.073	2	134.3137	4.840	24	134.1005	6.672	93	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(C[5a]C[5a]H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(C[5a]C[5a]H){3|C<3>,3|H<1>}	135.9900	0.000	1	135.2575	1.073	2	134.3137	4.840	24	134.1005	6.672	93	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	135.7490	0.000	1	135.6083	0.089	6	134.3137	4.840	24	134.1005	6.672	93	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	135.4060	0.000	1	135.6083	0.089	6	134.3137	4.840	24	134.1005	6.672	93	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a]){1|H<1>,2|C<4>,4|C<3>}	135.6030	0.000	1	135.6083	0.089	6	134.3137	4.840	24	134.1005	6.672	93	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a]){2|H<1>,5|C<3>}	135.6307	0.437	3	135.6083	0.089	6	134.3137	4.840	24	134.1005	6.672	93	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,3|C<3>}	135.0777	0.280	3	135.0777	0.078	3	134.3137	4.840	24	134.1005	6.672	93	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]N[5a]H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,1|S<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>}	134.9820	0.000	1	134.9820	0.000	1	134.3137	4.840	24	134.1005	6.672	93	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a,6]O[5a])(C[5a]C[5a,6]H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a,6]O[5a])(C[5a]C[5a,6]H){1|B<4>,1|H<1>,3|C<3>}	136.4935	0.165	2	136.4935	0.027	2	134.3137	4.840	24	134.1005	6.672	93	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a,6]S[5a])(C[5a]C[5a,6]H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a,6]S[5a])(C[5a]C[5a,6]H){1|B<4>,1|H<1>,3|C<3>}	130.4667	0.481	3	130.4667	0.231	3	134.3137	4.840	24	134.1005	6.672	93	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H){2|H<1>,3|C<3>}	130.4780	0.000	1	130.4780	0.000	1	134.3137	4.840	24	134.1005	6.672	93	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]S[5a]2)(C[5a]C[5a]H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]S[5a]2)(C[5a]C[5a]H){1|H<1>,3|C<3>}	129.9760	0.000	1	129.9760	0.000	1	134.3137	4.840	24	134.1005	6.672	93	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:N[5a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(N[5a]C[5a]C)	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(N[5a]C[5a]C){2|H<1>,3|C<3>}	132.7710	0.000	1	132.7710	0.000	1	132.7710	0.000	1	134.1005	6.672	93	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a,5a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]F)(H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])2(C[5a,5a]N[5a]2)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|F<1>,1|H<1>,1|N<3>,1|S<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])2(C[5a,5a]N[5a]2){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	133.8930	0.000	1	133.8930	0.000	1	135.7112	1.069	6	134.1005	6.672	93	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a,5a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])2(C[5a,5a]N[5a]2)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])2(C[5a,5a]N[5a]2){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	135.3810	0.000	1	135.6825	0.182	2	135.7112	1.069	6	134.1005	6.672	93	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a,5a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])2(C[5a,5a]N[5a]2)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])2(C[5a,5a]N[5a]2){1|C<4>,2|H<1>,5|C<3>}	135.9840	0.000	1	135.6825	0.182	2	135.7112	1.069	6	134.1005	6.672	93	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a,5a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]N)(H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])2(C[5a,5a]N[5a]2)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,2|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])2(C[5a,5a]N[5a]2){1|C<4>,2|H<1>,5|C<3>}	135.6730	0.000	1	135.6730	0.000	1	135.7112	1.069	6	134.1005	6.672	93	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a,5a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]C)(H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])2(C[5a,5a]O[5a]2)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])2(C[5a,5a]O[5a]2){2|H<1>,4|C<3>}	136.6680	0.146	2	136.6680	0.021	2	135.7112	1.069	6	134.1005	6.672	93	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a,5a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[5a,5a]N[5a]2)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[5a,5a]N[5a]2){2|H<1>,5|C<3>}	135.9360	0.232	2	135.9360	0.054	2	135.9360	0.054	2	134.1005	6.672	93	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,5a,6]-3:C[5a]-3:	C[5a,6a](C[5a,5a]N[5a,5a,6]C[5a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a,6]C[5a,6]2)(C[5a]C[5a]2)	C[5a,6a](C[5a,5a]N[5a,5a,6]C[5a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a,6]C[5a,6]2)(C[5a]C[5a]2){1|H<1>,1|N<2>,1|S<2>,5|C<3>}	132.5890	0.000	1	132.5890	0.000	1	133.1171	0.301	11	134.1005	6.672	93	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,5a,6]-3:C[5a]-3:	C[5a,6a](C[5a,5a]N[5a,5a,6]C[5a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a,6]C[5a,6]2)(C[5a]C[5a]C[5])	C[5a,6a](C[5a,5a]N[5a,5a,6]C[5a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a,6]C[5a,6]2)(C[5a]C[5a]C[5]){1|H<1>,1|N<3>,1|S<2>,5|C<3>}	133.6300	0.000	1	133.6300	0.000	1	133.1171	0.301	11	134.1005	6.672	93	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,5a,6]-3:C[5a]-3:	C[5a,6a](C[5a,5a]N[5a,5a,6]C[5a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a,6]C[5a,6]2)(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,5a]N[5a,5a,6]C[5a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a,6]C[5a,6]2)(C[5a]C[5a]C[6a]){1|H<1>,1|N<2>,6|C<3>}	133.4610	0.000	1	133.5315	0.222	4	133.1171	0.301	11	134.1005	6.672	93	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,5a,6]-3:C[5a]-3:	C[5a,6a](C[5a,5a]N[5a,5a,6]C[5a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a,6]C[5a,6]2)(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,5a]N[5a,5a,6]C[5a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a,6]C[5a,6]2)(C[5a]C[5a]C[6a]){1|H<1>,7|C<3>}	133.5550	0.574	3	133.5315	0.222	4	133.1171	0.301	11	134.1005	6.672	93	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,5a,6]-3:C[5a]-3:	C[5a,6a](C[5a,5a]N[5a,5a,6]C[5a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a,6]C[5a,6]2)(C[5a]C[5a]H)	C[5a,6a](C[5a,5a]N[5a,5a,6]C[5a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a,6]C[5a,6]2)(C[5a]C[5a]H){1|B<3>,1|H<1>,4|C<3>}	132.3930	0.000	1	132.6560	0.075	4	133.1171	0.301	11	134.1005	6.672	93	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,5a,6]-3:C[5a]-3:	C[5a,6a](C[5a,5a]N[5a,5a,6]C[5a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a,6]C[5a,6]2)(C[5a]C[5a]H)	C[5a,6a](C[5a,5a]N[5a,5a,6]C[5a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a,6]C[5a,6]2)(C[5a]C[5a]H){1|H<1>,5|C<3>}	132.7437	0.256	3	132.6560	0.075	4	133.1171	0.301	11	134.1005	6.672	93	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,5a,6]-3:C[5a]-3:	C[5a,6a](C[5a,5a]N[5a,5a,6]C[5a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a,6]C[5a,6]2)(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,5a]N[5a,5a,6]C[5a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a,6]C[5a,6]2)(C[5a]C[6a]N[5a]){1|H<1>,6|C<3>}	133.3190	0.000	1	133.3190	0.000	1	133.1171	0.301	11	134.1005	6.672	93	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,5a]-3:N[5a]-3:	C[5a,6a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[6a])	C[5a,6a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[6a]){1|H<1>,7|C<3>}	131.4150	0.000	1	131.4150	0.000	1	132.2620	0.538	3	134.1005	6.672	93	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,5a]-3:N[5a]-3:	C[5a,6a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]C[5a]N[5a])(N[5a]N[5a]C)	C[5a,6a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]C[5a]N[5a])(N[5a]N[5a]C){1|H<1>,3|C<3>}	132.6855	0.023	2	132.6855	0.001	2	132.2620	0.538	3	134.1005	6.672	93	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6,6a]-3:C[5a,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:N[5a]-3:	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6,6a]C[5a,5a])(C[6a]C[6a]H)(H)	C[5a,5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,5a]C[5a,6]N[5a])(N[5a]C[5a]C[6a])	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,6,6a]C[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,5a]C[5a,6]N[5a])(N[5a]C[5a]C[6a]){1|Pd<4>,1|H<1>,6|C<3>}	137.6950	0.000	1	137.6950	0.000	1	137.6950	0.000	1	134.1005	6.672	93	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5a,5a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]C[5a,5a]C[5,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,5a])(C[6a]C[6a]H)(H)	C[5a,5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5,5a]C[5,5a]C[5,6a])(C[5a,5a]C[5a,6a]S[5a])	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]C[5a,5a]C[5,5a])(C[6a]C[6a]H){1|H<1>,1|S<2>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5,5a]C[5,5a]C[5,6a])(C[5a,5a]C[5a,6a]S[5a]){1|H<1>,6|C<3>}	135.9890	0.000	1	135.9890	0.000	1	135.9890	0.000	1	134.1005	6.672	93	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]C[5a,5a]C[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,5a])(C[6a]C[6a]H)(H)	C[5a,5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,5a]C[5a,6a]C[5a])(C[5a]C[5a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]C[5a,5a]C[5a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,5a]C[5a,6a]C[5a])(C[5a]C[5a]2){1|H<1>,1|O<1>,1|S<2>,5|C<3>}	136.9585	0.773	2	136.9585	0.597	2	136.9585	0.597	2	134.1005	6.672	93	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:N[5a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,5a])(C[6a]C[5a,6a]H)(H)	C[5a,5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,5a]C[5a,6a]N[5a])(N[5a]B[5a]C[6a])	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]H){1|B<3>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,5a])(C[6a]C[5a,6a]H)(H){1|N<3>,4|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,5a]C[5a,6a]N[5a])(N[5a]B[5a]C[6a]){1|H<1>,1|I<1>,6|C<3>}	141.2180	0.488	2	141.2180	0.238	2	138.9127	7.265	4	134.1005	6.672	93	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:N[5a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,5a])(C[6a]C[6a]H)(H)	C[5a,5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,5a]C[5a,6a]N[5a])(N[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,5a]C[5a,6a]N[5a])(N[5a]C[5a]C[6a]){1|Pd<4>,1|H<1>,6|C<3>}	136.6075	0.548	2	136.6075	0.300	2	138.9127	7.265	4	134.1005	6.672	93	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[5a,5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a,5a]C[5a,5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a,5a]C[5a,5a]2)(C[6a]C[6a]H){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a]){1|H<1>,1|O<1>,5|C<3>}	132.5235	0.490	4	132.5235	0.240	4	131.6776	1.093	12	134.1005	6.672	93	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[5a,5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a,5a]C[5a,5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a,5a]C[5a,5a]2)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,2|S<2>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a]){1|H<1>,1|O<1>,4|C<3>}	132.6330	0.000	2	132.6330	0.000	2	131.6776	1.093	12	134.1005	6.672	93	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[5a,5a]-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,5a]C[5a,5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]C)(H)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]S[5a]2)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,5a]C[5a,5a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]C)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]S[5a]2){1|H<1>,1|S<2>,4|C<3>}	131.1125	0.595	2	131.1125	0.354	2	131.6776	1.093	12	134.1005	6.672	93	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[5a,5a]-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,5a]C[5a,5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]S[5a]2)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,5a]C[5a,5a]2)(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]S[5a]2){1|H<1>,1|S<2>,4|C<3>}	130.9930	0.877	2	130.9930	0.769	2	131.6776	1.093	12	134.1005	6.672	93	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[5a,5a]-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,5a]C[5a,5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,5a]C[5a,5a]2)(C[6a]C[6a]H){1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a]){1|C<4>,1|H<1>,4|C<3>}	130.3550	0.000	1	130.2800	0.011	2	131.6776	1.093	12	134.1005	6.672	93	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[5a,5a]-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,5a]C[5a,5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,5a]C[5a,5a]2)(C[6a]C[6a]H){1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a]){1|H<1>,5|C<3>}	130.2050	0.000	1	130.2800	0.011	2	131.6776	1.093	12	134.1005	6.672	93	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:2:	3:3:2:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-2:	C[5a,6a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]S[5a])(CC)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C){1|C<2>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]S[5a])(CC){2|S<2>,4|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|C<2>,2|C<3>,2|H<1>}	130.2960	0.000	1	130.2960	0.000	1	130.2960	0.000	1	130.0093	0.067	3	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:2:	3:3:2:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:O-2:	C[5a,6a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]O)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]S[5a])(OC)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]O){1|O<2>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]S[5a])(OC){2|S<2>,4|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	129.8660	0.103	2	129.8660	0.011	2	129.8660	0.011	2	130.0093	0.067	3	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:4:	3:3:2:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[5a,6a]C)(CCHH)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C){1|C<4>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[5a,6a]C)(CCHH){2|S<2>,3|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	130.5100	0.201	2	130.5100	0.040	2	130.5100	0.040	2	130.5100	0.040	2	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a,6a]-3:C[5a,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]C[5a,5a]C[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,5a])(C[6a]C[6a]H)(CH3)	C[5a,5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,5a]C[5a,6a]C[5a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]C[5a,5a]C[5a])(C[6a]C[6a]C){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,5a])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,5a]C[5a,6a]C[5a])(C[5a]C[5a]C){1|O<1>,2|C<4>,3|C<3>}	134.6310	0.274	2	134.6310	0.075	2	134.6310	0.075	2	134.6310	0.075	2	132.7520	6.086	250	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6,6]-3:C[4x6]-4:	C[5a,6a](C[5a,6,6]C[5a,6,6]C[4x6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6,6]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6,6]C[4x6]N[5a])(C[4x6]C[3x6]C[4x6]C)	C[5a,6a](C[5a,6,6]C[5a,6,6]C[4x6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[5a,6a]C[5a,6,6]C[5a,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6,6]C[4x6]N[5a])(C[4x6]C[3x6]C[4x6]C){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	136.2280	0.000	1	136.2280	0.000	1	136.2280	0.000	1	136.2280	0.000	1	136.2280	0.000	1	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:2:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]O[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(O[6a]C[6a])(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]O[6a]O){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(O[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|S<2>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH){1|N<2>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	128.8110	0.000	1	128.8110	0.000	1	128.8110	0.000	1	127.7460	2.268	2	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:2:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:S[6a]-2:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]S[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(S[6a]C[6a])(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]S[6a]O){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(S[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|S<2>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH){1|N<2>,1|N<3>,1|O<1>,1|S<2>,4|H<1>}	126.6810	0.000	1	126.6810	0.000	1	126.6810	0.000	1	127.7460	2.268	2	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:2:2:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:O-2:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(OC)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(OC){1|C<4>,1|N<2>,1|S<2>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH){1|N<3>,1|O<2>,2|N<2>,4|H<1>}	133.6670	0.000	1	133.6670	0.000	1	134.1066	0.235	5	134.1066	0.235	5	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:2:2:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:O-2:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(OS)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(OS){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<2>,2|N<2>,4|H<1>}	133.7960	0.000	1	134.2165	0.233	4	134.1066	0.235	5	134.1066	0.235	5	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:2:2:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:O-2:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(OS)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(OS){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|S<2>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<2>,2|N<2>,4|H<1>}	134.8130	0.000	1	134.2165	0.233	4	134.1066	0.235	5	134.1066	0.235	5	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:2:2:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:O-2:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(OS)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(OS){1|C<3>,1|C<4>,1|N<2>,2|S<2>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<2>,2|N<2>,4|H<1>}	134.1285	0.390	2	134.2165	0.233	4	134.1066	0.235	5	134.1066	0.235	5	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:2:3:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]N[6])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(N[6]C[6]2)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]N[6]){1|C<3>,2|H<1>,4|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(N[6]C[6]2){1|C<3>,1|N<2>,1|S<2>,3|C<4>,5|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<3>,2|N<2>,4|H<1>}	133.8490	0.127	2	133.8490	0.016	2	133.8490	0.016	2	133.8490	0.016	2	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:S[6]-2:	C[5a,6a](C[5a,6]C[5a,6]S[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(S[6]C[6])	C[5a,6a](C[5a,6]C[5a,6]S[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[5a,6a]C[5a,6a]S[5a])(H){2|S<2>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(S[6]C[6]){1|C<4>,2|C<3>,5|H<1>}	128.7670	0.000	1	128.7670	0.000	1	128.8307	0.083	3	132.0550	0.728	706	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:S[6]-2:	C[5a,6a](C[5a,6]C[5a,6]S[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]S[6])(S[6]C[6])	C[5a,6a](C[5a,6]C[5a,6]S[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){1|C<3>,1|C<4>,1|H<1>,2|S<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[5a,6a]C[5a,6a]S[5a])(H){2|S<2>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]S[6])(S[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	128.8625	0.400	2	128.8625	0.160	2	128.8307	0.083	3	132.0550	0.728	706	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:N[6]-2:	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(N[6]S[6])	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,1|S<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,1|N<2>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(N[6]S[6]){1|H<1>,2|O<1>,5|C<3>}	130.3450	0.000	1	130.3450	0.000	1	130.3450	0.000	1	132.0550	0.728	706	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:Cl-1:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]Cl)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Cl)(Cl)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]Cl){2|Cl<1>,1|B<4>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|Br<1>,1|Cl<1>,1|N<2>,2|N<3>,3|C<3>}	132.2907	0.517	3	132.0015	0.106	15	132.0015	0.106	15	132.0550	0.728	706	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:Cl-1:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]Cl)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Cl)(Cl)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]Cl){2|Cl<1>,1|B<4>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){2|Cl<1>,1|N<2>,2|N<3>,3|C<3>}	131.9292	0.241	12	132.0015	0.106	15	132.0015	0.106	15	132.0550	0.728	706	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]F)(F)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5,6])	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]F){1|B<4>,1|N<2>,2|C<3>,2|F<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]F)(F){1|F<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5,6]){1|Cl<1>,1|C<4>,1|F<1>,1|N<2>,2|C<3>,2|N<3>}	132.7970	0.451	2	132.7970	0.204	2	132.7105	0.455	75	132.0550	0.728	706	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]F)(F)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]F){1|B<4>,1|N<2>,2|C<3>,2|F<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]F)(F){1|F<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|Br<1>,1|F<1>,1|N<2>,2|N<3>,3|C<3>}	132.5602	0.622	6	132.7081	0.465	73	132.7105	0.455	75	132.0550	0.728	706	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]F)(F)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]F){1|B<4>,1|N<2>,2|C<3>,2|F<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]F)(F){1|F<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|Cl<1>,1|F<1>,1|N<2>,2|N<3>,3|C<3>}	132.7053	0.531	8	132.7081	0.465	73	132.7105	0.455	75	132.0550	0.728	706	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]F)(F)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]F){1|B<4>,1|N<2>,2|C<3>,2|F<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]F)(F){1|F<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|F<1>,1|N<2>,1|O<2>,2|N<3>,3|C<3>}	132.7331	0.784	42	132.7081	0.465	73	132.7105	0.455	75	132.0550	0.728	706	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]F)(F)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]F){1|B<4>,1|N<2>,2|C<3>,2|F<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]F)(F){1|F<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|N<2>,2|F<1>,2|N<3>,3|C<3>}	132.7000	0.511	17	132.7081	0.465	73	132.7105	0.455	75	132.0550	0.728	706	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:N[6]-2:	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(N[6]C[5,3x6])	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(N[6]C[5,3x6]){2|C<4>,2|H<1>,4|C<3>}	132.0720	0.908	2	132.0720	0.824	2	133.7268	3.686	5	132.0550	0.728	706	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:N[6]-2:	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(N[6]C[6,6a])	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cu<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(N[6]C[6,6a]){2|Cu<2>,1|H<1>,4|C<3>}	136.4340	0.000	1	136.4340	0.000	1	133.7268	3.686	5	132.0550	0.728	706	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:N[6]-2:	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(N[6]N[5a,6])	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(N[6]N[5a,6]){1|B<4>,1|C<4>,1|H<1>,1|S<4>,3|C<3>}	134.7110	0.000	1	134.0280	0.933	2	133.7268	3.686	5	132.0550	0.728	706	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:N[6]-2:	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(N[6]N[5a,6])	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(N[6]N[5a,6]){1|N<2>,2|H<1>,3|C<3>}	133.3450	0.000	1	134.0280	0.933	2	133.7268	3.686	5	132.0550	0.728	706	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:O[6]-2:	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(O[6]C[6,6a])	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(O[6]C[6,6a]){1|H<1>,1|S<4>,6|C<3>}	133.0305	0.987	4	133.0305	0.974	4	131.1169	3.123	16	132.0550	0.728	706	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:O[6]-2:	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(O[6]C[6])	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(O[6]C[6]){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	134.9570	0.000	1	134.9570	0.000	1	131.1169	3.123	16	132.0550	0.728	706	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:O[6]-2:	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(O[6]C[6])	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(O[6]C[6]){1|C<4>,1|H<1>,5|C<3>}	129.9300	0.000	1	129.9547	0.072	3	131.1169	3.123	16	132.0550	0.728	706	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:O[6]-2:	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(O[6]C[6])	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(O[6]C[6]){1|C<4>,2|H<1>,4|C<3>}	129.9670	0.379	2	129.9547	0.072	3	131.1169	3.123	16	132.0550	0.728	706	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:O[6]-2:	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Cl)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]S[5a])(O[6]C[6,6])	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]S[5a])(O[6]C[6,6]){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	129.2320	0.000	1	129.2320	0.000	1	131.1169	3.123	16	132.0550	0.728	706	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:O[6]-2:	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]F)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(O[6]C[6])	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]F)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(O[6]C[6]){2|C<4>,3|C<3>,3|H<1>}	129.4340	0.000	1	129.4340	0.000	1	131.1169	3.123	16	132.0550	0.728	706	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:O[6]-2:	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(O[6]C[6,6a])	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(O[6]C[6,6a]){1|H<1>,1|S<1>,4|C<3>}	130.0710	0.000	1	130.0710	0.000	1	131.1169	3.123	16	132.0550	0.728	706	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:O[6]-2:	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(O[6]C[6])	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(O[6]C[6]){1|N<3>,2|H<1>,4|C<3>}	130.4380	0.370	5	130.4380	0.137	5	131.1169	3.123	16	132.0550	0.728	706	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:S[6]-2:	C[5a,6a](C[5a,6]C[5a,6]S[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]S[5a])(S[6]S[6])	C[5a,6a](C[5a,6]C[5a,6]S[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|S<2>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]S[5a])(S[6]S[6]){1|H<1>,4|C<3>}	129.7335	0.145	2	129.7335	0.021	2	129.5117	0.203	6	132.0550	0.728	706	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:S[6]-2:	C[5a,6a](C[5a,6]C[5a,6]S[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(S[6]C[6,6a])	C[5a,6a](C[5a,6]C[5a,6]S[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|S<2>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(S[6]C[6,6a]){2|H<1>,4|C<3>}	129.5180	0.000	1	129.5180	0.000	1	129.5117	0.203	6	132.0550	0.728	706	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:S[6]-2:	C[5a,6a](C[5a,6]C[5a,6]S[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]N[6])(S[6]C[5a,6])	C[5a,6a](C[5a,6]C[5a,6]S[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|S<2>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]N[6])(S[6]C[5a,6]){1|H<1>,1|S<2>,4|C<3>}	130.0740	0.000	1	130.0740	0.000	1	129.5117	0.203	6	132.0550	0.728	706	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:S[6]-2:	C[5a,6a](C[5a,6]C[5a,6]S[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]S[5a])(S[6]S[6])	C[5a,6a](C[5a,6]C[5a,6]S[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,2|S<2>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]S[5a])(S[6]S[6]){1|H<1>,4|C<3>}	129.0055	0.255	2	129.0055	0.065	2	129.5117	0.203	6	132.0550	0.728	706	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:N[6]-2:	C[5a,6a](C[5a,6]N[5a,6]N[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(N[6]C[5a,6])	C[5a,6a](C[5a,6]N[5a,6]N[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(N[6]C[5a,6]){1|C<2>,1|F<1>,1|H<1>,1|N<3>,4|C<3>}	132.1475	0.817	2	132.3725	0.757	10	132.3725	0.757	10	132.0550	0.728	706	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:N[6]-2:	C[5a,6a](C[5a,6]N[5a,6]N[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(N[6]C[5a,6])	C[5a,6a](C[5a,6]N[5a,6]N[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(N[6]C[5a,6]){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	131.7362	0.809	4	132.3725	0.757	10	132.3725	0.757	10	132.0550	0.728	706	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:N[6]-2:	C[5a,6a](C[5a,6]N[5a,6]N[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(N[6]C[5a,6])	C[5a,6a](C[5a,6]N[5a,6]N[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(N[6]C[5a,6]){1|H<1>,1|N<3>,6|C<3>}	133.0175	0.317	2	132.3725	0.757	10	132.3725	0.757	10	132.0550	0.728	706	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:N[6]-2:	C[5a,6a](C[5a,6]N[5a,6]N[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(N[6]C[5a,6])	C[5a,6a](C[5a,6]N[5a,6]N[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(N[6]C[5a,6]){2|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	133.2250	0.277	2	132.3725	0.757	10	132.3725	0.757	10	132.0550	0.728	706	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5,5a,6]-3:C[5a,6a]-3:N[6]-2:	C[5a,6a](C[5a,6]N[5,5a,6]N[6])(C[5a,6a]C[5,5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H)	C[5a,6](N[5,5a,6]P[5,3x6]C[5,5a])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6a](C[5a,6]N[5,5a,6]N[6])(C[5a,6a]C[5,5a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,1|P<6>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6](N[5,5a,6]P[5,3x6]C[5,5a])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|H<1>,2|O<2>,3|N<3>,4|C<3>}	132.2555	0.831	2	132.2555	0.690	2	132.2555	0.690	2	132.0550	0.728	706	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Cl)(H)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|B<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|Cl<1>,1|H<1>,1|N<2>,2|N<3>,3|C<3>}	131.6247	1.282	6	131.6218	0.961	12	131.9943	0.312	562	132.0550	0.728	706	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Cl)(H)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|B<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<2>,1|O<2>,2|N<3>,3|C<3>}	131.6190	0.686	6	131.6218	0.961	12	131.9943	0.312	562	132.0550	0.728	706	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]F)(H)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,1|F<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]F)(H){1|F<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|Cl<1>,1|H<1>,1|N<2>,2|N<3>,3|C<3>}	131.3463	0.508	18	131.3463	0.258	18	131.9943	0.312	562	132.0550	0.728	706	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|Br<1>,1|H<1>,1|N<2>,2|N<3>,3|C<3>}	132.2387	0.614	3	132.0511	0.254	396	131.9943	0.312	562	132.0550	0.728	706	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|C<2>,1|H<1>,1|N<2>,2|N<3>,3|C<3>}	132.0343	0.410	22	132.0511	0.254	396	131.9943	0.312	562	132.0550	0.728	706	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|C<4>,1|H<1>,1|N<2>,2|N<3>,3|C<3>}	132.2783	0.323	12	132.0511	0.254	396	131.9943	0.312	562	132.0550	0.728	706	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|Cl<1>,1|H<1>,1|N<2>,2|N<3>,3|C<3>}	131.9795	0.276	16	132.0511	0.254	396	131.9943	0.312	562	132.0550	0.728	706	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|F<1>,1|H<1>,1|N<2>,2|N<3>,3|C<3>}	132.0730	0.138	3	132.0511	0.254	396	131.9943	0.312	562	132.0550	0.728	706	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<2>,1|O<2>,2|N<3>,3|C<3>}	132.0358	0.522	322	132.0511	0.254	396	131.9943	0.312	562	132.0550	0.728	706	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<2>,1|S<2>,2|N<3>,3|C<3>}	132.3087	0.588	6	132.0511	0.254	396	131.9943	0.312	562	132.0550	0.728	706	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<2>,3|C<3>,3|N<3>}	132.1813	0.508	12	132.0511	0.254	396	131.9943	0.312	562	132.0550	0.728	706	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](N[5a,6,6]C[5a,6]Ge[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|Ge<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]Ge[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<2>,3|C<3>,3|N<3>}	132.3205	1.880	4	131.6322	1.265	18	131.9943	0.312	562	132.0550	0.728	706	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](N[5a,6,6]C[5a,6]Ge[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|Ge<6>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]Ge[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<2>,2|I<1>,3|C<3>,3|N<3>}	131.2095	1.080	6	131.6322	1.265	18	131.9943	0.312	562	132.0550	0.728	706	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](N[5a,6,6]C[5a,6]Ge[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|Ge<6>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]Ge[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<2>,3|C<3>,5|N<3>}	131.4952	0.715	4	131.6322	1.265	18	131.9943	0.312	562	132.0550	0.728	706	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](N[5a,6,6]C[5a,6]Ge[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|Ge<6>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]Ge[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){2|Cl<1>,1|H<1>,1|N<2>,3|C<3>,3|N<3>}	131.7147	0.397	4	131.6322	1.265	18	131.9943	0.312	562	132.0550	0.728	706	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](N[5a,6,6]C[5a,6]In[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|In<5>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]In[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|Fe<8>,1|H<1>,1|N<2>,3|C<3>,3|N<3>}	132.2722	0.799	8	132.2722	0.639	8	131.9943	0.312	562	132.0550	0.728	706	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](N[5a,6,6]C[5a,6]Si[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|Si<6>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]Si[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<2>,2|O<2>,3|C<3>,3|N<3>}	131.9898	0.391	100	131.9768	0.152	104	131.9943	0.312	562	132.0550	0.728	706	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](N[5a,6,6]C[5a,6]Si[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|Si<6>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]Si[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){2|Cl<1>,1|H<1>,1|N<2>,3|C<3>,3|N<3>}	131.6507	0.199	4	131.9768	0.152	104	131.9943	0.312	562	132.0550	0.728	706	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<2>,1|O<2>,2|N<3>,3|C<3>}	132.7740	1.406	2	132.7740	1.976	2	131.9943	0.312	562	132.0550	0.728	706	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H)	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,1|P<6>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<2>,2|O<2>,3|C<3>,3|N<3>}	131.5415	0.437	4	131.5415	0.191	4	131.9943	0.312	562	132.0550	0.728	706	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:N[6]-2:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]N[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(N[6]C[5,6])	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]N[6])(C[6a]C[6a]H){1|B<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(N[6]C[5,6]){1|H<1>,1|N<3>,1|S<2>,2|F<1>,3|C<3>}	136.5370	0.031	3	136.5370	0.001	3	136.2882	0.173	5	132.0550	0.728	706	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:N[6]-2:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]N[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(N[6]C[6,6])	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]N[6])(C[6a]C[6a]H){1|B<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(N[6]C[6,6]){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	135.9150	0.474	2	135.9150	0.224	2	136.2882	0.173	5	132.0550	0.728	706	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a,6])(C[5a,6]N[5a,6,6]N[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]H)(H)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a,6])(C[5a,6]N[5a,6,6]N[6])(C[6a]C[6a]H){1|B<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]H)(H){1|N<2>,1|N<3>,3|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<2>,1|O<2>,2|N<3>,3|C<3>}	131.1003	0.373	6	131.1003	0.139	6	131.1003	0.139	6	132.0550	0.728	706	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5,5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5,5a,6a]C[5,6a]N[5,5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5,5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5,5a,6a]C[6a])(C[5a,6]N[5,5a]C[6])(C[6]C[6]O)	C[5a,6a](C[5,5a,6a]C[5,6a]N[5,5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C[6a](C[5a,6a]C[5,5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5,5a,6a]C[6a])(C[5a,6]N[5,5a]C[6])(C[6]C[6]O){2|C<3>,2|C<4>,5|H<1>}	143.0005	0.287	4	143.0005	0.082	4	143.0005	0.082	4	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H){1|B<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	132.8765	0.054	2	132.8765	0.003	2	132.8765	0.003	2	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]F)(F)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F){1|B<4>,1|H<1>,1|N<3>,2|C<3>,2|F<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]F)(F){1|F<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H){2|N<3>,3|C<3>,3|F<1>}	131.3080	0.000	1	132.6455	3.578	2	132.6455	3.578	2	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]F)(F)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F){1|B<4>,2|C<3>,2|F<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]F)(F){1|F<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H){1|H<1>,1|N<3>,3|C<3>,3|F<1>}	133.9830	0.000	1	132.6455	3.578	2	132.6455	3.578	2	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6,6]N[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H)	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6,6]N[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H){1|B<4>,1|C<2>,2|H<1>,3|C<3>}	131.6950	0.000	1	131.6950	0.000	1	131.6950	0.000	1	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[6]-3:C[5a,6]-3:	C[5a,6a](C[5a,6]C[5a,6]B[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(B[6]C[5a,6]C[6a])(C[5a,6]S[5a]B[6])	C[5a,6a](C[5a,6]C[5a,6]B[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|B<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(B[6]C[5a,6]C[6a])(C[5a,6]S[5a]B[6]){1|H<1>,1|S<2>,6|C<3>}	129.9115	0.006	2	129.9115	0.000	2	129.9115	0.000	2	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[5,6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[5,6]C[5,6]C[5])	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[5,6]C[5,6]C[5]){1|O<1>,2|C<3>,2|C<4>,2|N<3>,3|H<1>}	135.5830	0.000	1	135.5830	0.000	1	135.5830	0.000	1	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Br)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]N[6]N)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]N[6]N){3|H<1>,4|C<3>}	134.0580	0.000	1	134.0580	0.000	1	134.7398	1.560	71	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]C)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]C){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	134.9730	0.000	1	134.9730	0.000	1	134.7398	1.560	71	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]N[6]N)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]N[6]N){3|H<1>,4|C<3>}	135.1800	0.000	1	135.1800	0.000	1	134.7398	1.560	71	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[3x6]N[5a])(C[6]C[3x6]O)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[3x6]N[5a])(C[6]C[3x6]O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	135.2040	0.000	1	135.2040	0.000	1	134.7398	1.560	71	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[5,6]O)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[5,6]O){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	134.7730	0.000	1	134.7730	0.000	1	134.7398	1.560	71	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	134.3560	0.000	1	134.3560	0.000	1	134.7398	1.560	71	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]O)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]O){2|C<3>,2|H<1>,2|S<2>,3|C<4>}	133.6780	0.000	1	133.8500	0.059	2	134.7398	1.560	71	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]O)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]O){1|H<1>,2|C<4>,2|S<2>,3|C<3>}	134.0220	0.000	1	133.8500	0.059	2	134.7398	1.560	71	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]O)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|S<4>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]O){1|C<4>,1|N<3>,1|S<4>,3|C<3>,3|H<1>}	132.6840	0.000	1	132.6840	0.000	1	134.7398	1.560	71	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]O)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	134.3630	0.000	1	134.3630	0.000	1	134.7398	1.560	71	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]N[6]N)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]N[6]N){3|H<1>,4|C<3>}	135.3900	0.560	4	135.3900	0.314	4	134.7398	1.560	71	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5,6]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5,6]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	134.5520	0.000	1	134.5520	0.000	1	134.7398	1.560	71	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5a,6]O)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5a,6]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	135.0780	0.000	1	135.0780	0.000	1	134.7398	1.560	71	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6,6]O)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6,6]O){1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	134.6110	0.000	1	134.6110	0.000	1	134.7398	1.560	71	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C){1|S<1>,1|S<2>,1|S<4>,2|C<3>,2|H<1>}	133.3820	0.000	1	135.2368	1.915	6	134.7398	1.560	71	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C){1|N<3>,1|S<4>,2|C<3>,5|H<1>}	133.8450	0.000	1	135.2368	1.915	6	134.7398	1.560	71	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	135.1490	0.000	1	135.2368	1.915	6	134.7398	1.560	71	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	135.7820	0.000	1	135.2368	1.915	6	134.7398	1.560	71	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C){1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	136.6315	0.052	2	135.2368	1.915	6	134.7398	1.560	71	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	134.3220	0.000	1	133.5257	1.554	11	134.7398	1.560	71	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	134.5723	1.214	3	133.5257	1.554	11	134.7398	1.560	71	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H){1|N<3>,2|C<3>,4|H<1>}	133.0280	1.541	2	133.5257	1.554	11	134.7398	1.560	71	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	132.9376	1.008	5	133.5257	1.554	11	134.7398	1.560	71	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	135.1470	0.058	2	134.0541	0.969	11	134.7398	1.560	71	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|S<4>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	132.2500	0.000	1	134.0541	0.969	11	134.7398	1.560	71	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	134.6330	0.000	1	134.0541	0.969	11	134.7398	1.560	71	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|C<4>,2|C<3>,6|H<1>}	134.7260	0.000	1	134.0541	0.969	11	134.7398	1.560	71	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){2|C<3>,2|C<4>,5|H<1>}	134.8730	0.000	1	134.0541	0.969	11	134.7398	1.560	71	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<1>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|O<1>,1|S<4>,2|H<1>,3|C<3>}	132.9650	0.000	1	134.0541	0.969	11	134.7398	1.560	71	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	133.0630	0.000	1	134.0541	0.969	11	134.7398	1.560	71	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	134.1780	0.000	2	134.0541	0.969	11	134.7398	1.560	71	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	133.4350	0.000	1	134.0541	0.969	11	134.7398	1.560	71	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]S)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|S<1>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]S){1|C<4>,2|C<3>,6|H<1>}	135.0500	0.000	1	135.0500	0.000	1	134.7398	1.560	71	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6])	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	134.4960	0.000	1	134.7294	0.545	5	134.7398	1.560	71	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6])	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]){1|N<3>,2|H<1>,7|C<3>}	133.5590	0.000	1	134.7294	0.545	5	134.7398	1.560	71	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6])	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	135.3320	0.000	1	134.7294	0.545	5	134.7398	1.560	71	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6])	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	135.1300	0.269	2	134.7294	0.545	5	134.7398	1.560	71	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]N[6]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]N[6]H){1|N<2>,2|H<1>,4|C<3>}	134.7970	0.000	1	134.7970	0.000	1	134.7398	1.560	71	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]N[6]O)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]N[6]O){1|C<2>,2|C<3>,2|H<1>,3|C<4>}	134.6910	0.000	1	134.2035	0.475	2	134.7398	1.560	71	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]N[6]O)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]N[6]O){1|C<4>,3|H<1>,4|C<3>}	133.7160	0.000	1	134.2035	0.475	2	134.7398	1.560	71	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(C[6]C[6]C)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(C[6]C[6]C){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	134.7860	0.000	1	134.7860	0.000	1	134.7398	1.560	71	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6]C)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	135.2470	0.000	1	135.2470	0.000	1	134.7398	1.560	71	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6]C)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6]C){1|H<1>,2|C<4>,3|C<3>}	136.6030	0.000	1	136.6030	0.000	1	134.7398	1.560	71	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]N)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,1|O<2>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]N){2|C<3>,2|C<4>,5|H<1>}	134.6280	0.000	1	134.6280	0.000	1	134.7398	1.560	71	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	133.6530	0.000	1	133.6530	0.000	1	134.7398	1.560	71	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6]O)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6]O){1|C<4>,2|C<3>,5|H<1>}	136.2820	0.000	1	136.2820	0.000	1	134.7398	1.560	71	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	136.2820	0.000	1	136.2820	0.000	1	134.7398	1.560	71	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6]O)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6]O){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	136.7260	0.000	1	136.3513	0.063	6	134.7398	1.560	71	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6]O)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6]O){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	136.3303	0.171	4	136.3513	0.063	6	134.7398	1.560	71	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6]O)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6]O){1|C<4>,2|C<3>,5|H<1>}	136.0610	0.000	1	136.3513	0.063	6	134.7398	1.560	71	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6]P)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6]P){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	137.4770	0.000	1	137.4770	0.000	1	134.7398	1.560	71	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]N[6]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]N[6]H){1|Co<4>,2|H<1>,3|C<3>}	135.3650	0.000	1	135.4240	0.007	2	134.7398	1.560	71	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]N[6]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]N[6]H){1|Cu<5>,2|H<1>,3|C<3>}	135.4830	0.000	1	135.4240	0.007	2	134.7398	1.560	71	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[5,6]O)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[5,6]O){1|C<3>,1|C<4>,1|N<2>,2|O<2>,4|H<1>}	136.8200	0.000	1	136.8200	0.000	1	134.7398	1.560	71	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:N[6]-3:	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Cl)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(N[6]C[6a]C[6])	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(N[6]C[6a]C[6]){1|H<1>,2|C<4>,2|O<1>,4|C<3>}	134.3450	0.000	1	134.3450	0.000	1	134.6326	6.386	20	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:N[6]-3:	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]F)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(N[6]C[6,6a]C)	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|F<1>,1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]F)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(N[6]C[6,6a]C){1|C<4>,1|H<1>,4|C<3>}	135.7810	0.000	1	135.7810	0.000	1	134.6326	6.386	20	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:N[6]-3:	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(N[6]C[6a]B[6])	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(N[6]C[6a]B[6]){1|N<3>,2|F<1>,2|H<1>,5|C<3>}	134.8116	0.266	7	134.4874	0.355	10	134.6326	6.386	20	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:N[6]-3:	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(N[6]C[6a]B[6])	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Pd<4>,1|B<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(N[6]C[6a]B[6]){1|Pd<4>,1|H<1>,1|N<3>,2|F<1>,5|C<3>}	133.7310	0.399	3	134.4874	0.355	10	134.6326	6.386	20	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:N[6]-3:	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(N[6]C[6]S)	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(N[6]C[6]S){2|C<4>,3|C<3>,3|H<1>}	135.3980	0.000	1	135.3980	0.000	1	134.6326	6.386	20	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:N[6]-3:	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(N[6]C[5,6]S)	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(N[6]C[5,6]S){2|C<4>,3|C<3>,3|H<1>}	137.2280	0.000	1	137.2280	0.000	1	134.6326	6.386	20	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:N[6]-3:	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(N[6]C[6]S)	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(N[6]C[6]S){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	138.8445	0.245	2	138.3410	0.791	3	134.6326	6.386	20	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:N[6]-3:	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(N[6]C[6]S)	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(N[6]C[6]S){2|H<1>,5|C<3>}	137.3340	0.000	1	138.3410	0.791	3	134.6326	6.386	20	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:N[6]-3:	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]S[6])(N[6]C[5a,6]C[6a])	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]S[6])(N[6]C[5a,6]C[6a]){1|H<1>,1|S<2>,5|C<3>}	130.9480	0.000	1	130.0010	1.008	3	134.6326	6.386	20	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:N[6]-3:	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]S[6])(N[6]C[5a,6]C[6a])	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]S[6])(N[6]C[5a,6]C[6a]){1|H<1>,6|C<3>}	129.5275	0.820	2	130.0010	1.008	3	134.6326	6.386	20	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])	C[5a,6a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6]){1|C<4>,1|S<4>,4|C<3>,4|H<1>}	134.9350	0.000	1	135.3610	0.136	3	135.3610	0.136	3	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])	C[5a,6a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6]){3|C<4>,3|H<1>,4|C<3>}	135.5580	0.000	1	135.3610	0.136	3	135.3610	0.136	3	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])	C[5a,6a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6]){2|C<4>,4|C<3>,4|H<1>}	135.5900	0.000	1	135.3610	0.136	3	135.3610	0.136	3	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5a,6]N[5a]C[6])	C[5a,6a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5a,6]N[5a]C[6]){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	135.7775	0.107	2	135.7775	0.011	2	135.6530	0.052	3	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5a,6]N[5a]C[6])	C[5a,6a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5a,6]N[5a]C[6]){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	135.4040	0.000	1	135.4040	0.000	1	135.6530	0.052	3	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6]-3:N[5a,6]-3:	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6]){1|H<1>,1|N<3>,2|F<1>,6|C<3>}	134.3750	0.405	3	134.3750	0.164	3	134.3750	0.164	3	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|B<4>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]C){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	134.1535	0.827	2	134.1535	0.683	2	133.3958	1.909	26	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|C<2>,4|C<3>}	132.6820	0.539	2	132.6307	0.505	18	133.3958	1.909	26	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	132.4788	0.573	14	132.6307	0.505	18	133.3958	1.909	26	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|I<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	133.6425	1.286	2	132.6307	0.505	18	133.3958	1.909	26	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[6,6a]N[5a])(C[6]O[6]N)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[6,6a]N[5a])(C[6]O[6]N){1|H<1>,4|C<3>}	135.3900	0.000	1	135.3900	0.000	1	133.3958	1.909	26	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]N[5a]C[6])(C[6]C[6,6a]N)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]N[5a]C[6])(C[6]C[6,6a]N){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	136.5460	0.000	1	136.5460	0.000	1	133.3958	1.909	26	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]N[5a]C[6])(C[6]C[6,6a]O)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]N[5a]C[6])(C[6]C[6,6a]O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	134.9575	0.132	2	135.0667	0.044	3	133.3958	1.909	26	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]N[5a]C[6])(C[6]C[6,6a]O)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]N[5a]C[6])(C[6]C[6,6a]O){1|H<1>,1|O<2>,5|C<3>}	135.2850	0.000	1	135.0667	0.044	3	133.3958	1.909	26	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]N[5a]C[6])(C[6]C[6]H)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H){1|C<3>,1|N<2>,1|O<1>,2|N<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]N[5a]C[6])(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	135.4960	0.000	1	135.4960	0.000	1	133.3958	1.909	26	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:N[6]-3:	C[5a,6a](C[5a,6]N[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]N[5a]C[6])(N[6]C[6,6a]H)	C[5a,6a](C[5a,6]N[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|N<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]N[5a]C[6])(N[6]C[6,6a]H){1|H<1>,1|O<1>,5|C<3>}	132.2900	0.000	1	132.2900	0.000	1	132.2900	0.000	1	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5a,6a]-3:N[5a,6]-3:	C[5a,6a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[6,6a]C[5a,6,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])	C[5a,6a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[6,6a]C[5a,6,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6]){1|N<3>,2|F<1>,2|H<1>,5|C<3>}	132.4523	0.110	3	132.4523	0.012	3	132.4523	0.012	3	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a,6]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a](C[5a,6]N[5a,5a,6]C[6])(C[5a,6a]C[5a,5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H)	C[5a,6a](C[5a,6]N[5a,5a,6]C[6])(C[5a,6a]C[5a,5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H){1|N<2>,2|H<1>,4|C<3>}	131.0900	0.000	1	131.0900	0.000	1	131.0342	0.556	13	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a,6]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a](C[5a,6]N[5a,5a,6]C[6])(C[5a,6a]C[5a,5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H)	C[5a,6a](C[5a,6]N[5a,5a,6]C[6])(C[5a,6a]C[5a,5a]C[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H){1|N<2>,2|H<1>,4|C<3>}	131.0520	0.000	1	131.0295	0.606	12	131.0342	0.556	13	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a,6]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a](C[5a,6]N[5a,5a,6]C[6])(C[5a,6a]C[5a,5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H)	C[5a,6a](C[5a,6]N[5a,5a,6]C[6])(C[5a,6a]C[5a,5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H){1|N<2>,2|H<1>,4|C<3>}	131.1890	0.000	1	131.0295	0.606	12	131.0342	0.556	13	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a,6]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a](C[5a,6]N[5a,5a,6]C[6])(C[5a,6a]C[5a,5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H)	C[5a,6a](C[5a,6]N[5a,5a,6]C[6])(C[5a,6a]C[5a,5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H){2|H<1>,5|C<3>}	131.0113	0.859	10	131.0295	0.606	12	131.0342	0.556	13	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6,6]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a](C[5a,6]N[5a,6,6]C[6,6a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](N[5a,6,6]C[5a,6]B[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[5a,6a](C[5a,6]N[5a,6,6]C[6,6a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|N<3>,1|O<2>,2|H<1>,5|C<3>}	133.8150	0.000	1	133.2530	0.237	3	133.2530	0.237	3	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6,6]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a](C[5a,6]N[5a,6,6]C[6,6a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](N[5a,6,6]C[5a,6]B[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[5a,6a](C[5a,6]N[5a,6,6]C[6,6a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|N<3>,1|O<2>,2|H<1>,6|C<3>}	132.9720	0.025	2	133.2530	0.237	3	133.2530	0.237	3	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a](C[5a,6]N[5a,6,6]C[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]C[6a])	C[5a,6a](C[5a,6]N[5a,6,6]C[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]C[6a]){1|H<1>,1|O<2>,2|N<3>,6|C<3>}	132.3750	0.358	5	132.3750	0.128	5	132.2844	0.118	8	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a](C[5a,6]N[5a,6,6]C[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](N[5a,6,6]C[5a,6]B[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]H)	C[5a,6a](C[5a,6]N[5a,6,6]C[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	132.2400	0.000	1	132.1333	0.101	3	132.2844	0.118	8	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a](C[5a,6]N[5a,6,6]C[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](N[5a,6,6]C[5a,6]B[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]H)	C[5a,6a](C[5a,6]N[5a,6,6]C[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]H){1|H<1>,1|N<3>,1|O<2>,5|C<3>}	132.0800	0.430	2	132.1333	0.101	3	132.2844	0.118	8	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6,6a]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a](C[5a,6]N[5a,6,6a]C[6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](N[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6a])	C[5a,6a](C[5a,6]N[5a,6,6a]C[6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](N[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6a]){1|H<1>,8|C<3>}	132.3933	0.710	3	132.3933	0.504	3	131.7982	1.753	4	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6,6a]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a](C[5a,6]N[5a,6,6a]C[6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](N[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H)	C[5a,6a](C[5a,6]N[5a,6,6a]C[6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](N[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H){2|H<1>,5|C<3>}	130.0130	0.000	1	130.0130	0.000	1	131.7982	1.753	4	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6]N[5a,6]C[6])(N[5a,6a]B[5a]B[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]N[5a,6a]C[6a])(N[5a,6]B[5a]C[6])(C[6]C[6]H)	C[5a,6a](C[5a,6]N[5a,6]C[6])(N[5a,6a]B[5a]B[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|B<3>,1|B<4>,1|C<3>,1|H<1>,1|N<3>}	C[5a,6](C[5a,6a]N[5a,6a]C[6a])(N[5a,6]B[5a]C[6])(C[6]C[6]H){1|B<3>,3|H<1>,4|C<3>}	124.3900	0.000	1	124.3900	0.000	1	126.4440	8.438	2	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6]N[5a,6]C[6])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]N[5a,6a]C[6a])(N[5a,6]B[5a]C[6])(C[6]C[6]H)	C[5a,6a](C[5a,6]N[5a,6]C[6])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]N[5a,6a]C[6a])(N[5a,6]B[5a]C[6])(C[6]C[6]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	128.4980	0.000	1	128.4980	0.000	1	126.4440	8.438	2	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(C[6]C[5,6]C)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(C[6a]C[6a]H){1|B<4>,1|C<2>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(C[6]C[5,6]C){1|H<1>,1|N<3>,1|S<2>,2|F<1>,3|C<3>}	137.6970	0.000	1	137.6970	0.000	1	136.5935	1.012	4	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(C[6]C[6,6]C)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(C[6a]C[6a]H){1|B<4>,1|C<2>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(C[6]C[6,6]C){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	136.6955	0.298	2	136.6955	0.089	2	136.5935	1.012	4	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a,6]C[5a,6a]S[6])(C[6]C[6,6a]C[5a])	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(C[6a]C[6a]H){1|H<1>,1|S<4>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a,6]C[5a,6a]S[6])(C[6]C[6,6a]C[5a]){1|H<1>,2|O<1>,7|C<3>}	135.2860	0.000	1	135.2860	0.000	1	136.5935	1.012	4	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[5a,6]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a,6]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Cl)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5a,6]C[5,6]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a,6]2)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5a,6]C[5,6]N[5a]){1|C<4>,2|N<3>,3|C<3>,4|H<1>}	134.8430	0.000	1	134.8430	0.000	1	134.8430	0.000	1	134.0464	6.023	177	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5,5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5,5a,6a]C[5,6a]N[5,5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5,5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5,5a,6a]C[6a])(C[5a,6]N[5,5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5,5a,6a]C[5,6a]N[5,5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	C[6a](C[5a,6a]C[5,5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5,5a,6a]C[6a])(C[5a,6]N[5,5a]C[6])(C[6]C[6]HH){2|C<3>,2|C<4>,5|H<1>}	143.6290	0.000	2	143.6290	0.000	2	143.6290	0.000	2	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]S[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){1|C<3>,1|C<4>,2|S<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[5a,6a]C[5a,6a]S[5a])(H){1|C<4>,1|S<2>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]S[6])(C[6]C[6]HH){1|C<4>,2|C<3>,3|H<1>}	128.4990	0.000	1	128.4990	0.000	1	128.4990	0.000	1	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6])(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[4x6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[4x6]HH){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	134.6440	0.000	1	134.6440	0.000	1	134.6440	0.000	1	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6,6]N[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6,6]N[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	134.2049	0.501	10	133.9302	0.460	18	133.9027	0.436	22	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6,6]N[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6,6]N[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	133.6797	0.749	7	133.9302	0.460	18	133.9027	0.436	22	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6,6]N[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6,6]N[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH){1|C<4>,1|N<4>,3|C<3>,4|H<1>}	132.9360	0.000	1	133.9302	0.460	18	133.9027	0.436	22	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6,6]N[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]CN)	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6,6]N[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]CN){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	133.5030	0.000	1	133.5030	0.000	1	133.9027	0.436	22	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6,6]N[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6,6]N[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	133.1930	0.000	1	133.4575	0.140	2	133.9027	0.436	22	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6,6]N[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6,6]N[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH){2|C<4>,3|C<3>,4|H<1>}	133.7220	0.000	1	133.4575	0.140	2	133.9027	0.436	22	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6,6]N[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HN)	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6,6]N[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HN){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	134.6990	0.000	1	134.6990	0.000	1	133.9027	0.436	22	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6]C[5,5,6,6]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6]C[5,5,6,6]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	135.3900	0.000	1	134.8840	0.512	2	134.8840	0.512	2	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6]C[5,5,6,6]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6]C[5,5,6,6]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	134.3780	0.000	1	134.8840	0.512	2	134.8840	0.512	2	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[3,6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[3,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[3,6]C[3,6]H[3]N)	C[5a,6a](C[5a,6]C[5a,6]C[3,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|C<5>,1|H<2>,1|N<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[3,6]C[3,6]H[3]N){2|C<3>,2|C<4>,2|S<2>,3|H<1>}	134.4950	0.000	1	134.4950	0.000	1	134.4950	0.000	1	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[5,6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[5,6]C[5,6]C[5]H)	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[5,6]C[5,6]C[5]H){4|C<3>,4|C<4>,4|H<1>}	134.1230	0.000	1	134.1230	0.000	1	134.1230	0.000	1	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6,6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6,6]C[6,6]N[6]H)	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6,6]C[6,6]N[6]H){2|C<4>,2|S<2>,3|C<3>,4|H<1>}	135.1880	0.000	1	134.7550	0.412	3	134.8910	0.285	6	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6,6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6,6]C[6,6]N[6]H)	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6,6]C[6,6]N[6]H){2|S<2>,3|C<3>,3|C<4>,3|H<1>}	134.5385	0.736	2	134.7550	0.412	3	134.8910	0.285	6	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6,6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6,6]C[3x6]C[6]H)	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6,6]C[3x6]C[6]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	135.4980	0.000	1	135.4980	0.000	1	134.8910	0.285	6	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6,6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6,6]C[3x6]N[6]H)	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6,6]C[3x6]N[6]H){1|O<2>,2|C<3>,3|H<1>,5|C<4>}	134.7915	0.395	2	134.7915	0.156	2	134.8910	0.285	6	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Br)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6,6]N[5a])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6,6]N[5a])(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	133.2070	0.000	1	133.2070	0.000	1	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Br)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	133.7506	0.660	10	133.8250	0.453	11	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Br)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	134.5690	0.000	1	133.8250	0.453	11	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Br)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CC)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<3>,4|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CC){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	135.6520	0.000	1	135.6520	0.000	1	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Br)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<2>,1|S<4>,2|C<3>,4|H<1>}	131.7690	0.000	1	132.5945	1.363	2	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Br)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,2|C<3>,6|H<1>}	133.4200	0.000	1	132.5945	1.363	2	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Br)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	134.2740	0.000	1	134.2185	0.006	2	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Br)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	134.1630	0.000	1	134.2185	0.006	2	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH){1|N<3>,3|C<3>,5|H<1>}	133.7460	0.000	1	133.7460	0.000	1	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]HH){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	134.6880	0.000	1	134.6880	0.000	1	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH){1|N<2>,3|C<3>,4|H<1>}	134.4010	0.000	1	134.4010	0.000	1	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6,6]CH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6,6]CH){2|C<3>,2|C<4>,5|H<1>}	135.7550	0.000	1	135.7550	0.000	1	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|H<1>,5|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH){2|C<3>,2|C<4>,5|H<1>}	132.8190	0.000	1	132.8190	0.000	1	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<4>,2|C<3>,5|H<1>}	134.3510	0.957	4	134.2035	0.487	8	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	134.2413	0.194	3	134.2035	0.487	8	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,3|C<3>,4|H<1>}	133.5000	0.000	1	134.2035	0.487	8	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6]CH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6]CH){1|C<4>,2|H<1>,4|C<3>}	132.2360	0.000	1	132.2360	0.000	1	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Cl)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	134.2445	0.607	2	134.2445	0.369	2	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Cl)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	134.3460	0.000	1	133.9490	0.315	2	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Cl)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|O<1>,3|C<3>,4|H<1>}	133.5520	0.000	1	133.9490	0.315	2	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Cl)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H){2|C<4>,3|H<1>,5|C<3>}	133.4010	0.000	1	133.4010	0.000	1	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]F)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|F<1>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,2|C<3>,6|H<1>}	133.6925	0.125	2	133.8090	0.049	3	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]F)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|F<1>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	134.0420	0.000	1	133.8090	0.049	3	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]F)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|F<1>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	134.6480	0.000	1	134.6480	0.000	1	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[3x6]N[5a])(C[6]C[3x6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[3x6]N[5a])(C[6]C[3x6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	134.7300	0.000	1	134.4932	0.168	5	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[3x6]N[5a])(C[6]C[3x6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[3x6]N[5a])(C[6]C[3x6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	134.1060	0.000	1	134.4932	0.168	5	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[3x6]N[5a])(C[6]C[3x6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[3x6]N[5a])(C[6]C[3x6]HH){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	134.5230	0.000	1	134.4932	0.168	5	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[3x6]N[5a])(C[6]C[3x6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[3x6]N[5a])(C[6]C[3x6]HH){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	134.5535	0.677	2	134.4932	0.168	5	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[3x6]N[5a])(C[6]C[3x6]HO)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[3x6]N[5a])(C[6]C[3x6]HO){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	134.3490	0.000	1	134.3490	0.000	1	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[4,6]N[5a])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[4,6]N[5a])(C[6]C[6]HH){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	134.7353	0.584	4	134.7353	0.341	4	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,5,6]N[5a])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,5,6]N[5a])(C[6]C[6]HH){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	134.3350	0.000	1	134.3405	0.000	2	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,5,6]N[5a])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,5,6]N[5a])(C[6]C[6]HH){1|N<4>,2|C<3>,2|C<4>,4|H<1>}	134.3460	0.000	1	134.3405	0.000	2	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6,6]N[5a])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	133.9040	0.000	1	133.9040	0.000	1	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[5,6]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[5,6]C[6a]H){1|O<2>,3|C<4>,3|H<1>,4|C<3>}	134.3870	0.000	1	134.3870	0.000	1	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[5,6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[5,6]HH){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	134.2080	0.000	1	134.2080	0.000	1	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]CH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|S<4>,3|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]CH){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	133.1880	0.000	1	133.9753	0.581	3	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]CH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]CH){2|H<1>,3|C<4>,4|C<3>}	134.0290	0.000	1	133.9753	0.581	3	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]CH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]CH){1|C<4>,4|C<3>,4|H<1>}	134.7090	0.000	1	133.9753	0.581	3	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|F<1>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH){1|N<3>,3|C<3>,5|H<1>}	133.8670	0.000	1	134.1682	0.143	27	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	134.3418	0.266	6	134.1682	0.143	27	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	134.2502	0.276	5	134.1682	0.143	27	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	134.2700	0.000	1	134.1682	0.143	27	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	134.0054	0.550	5	134.1682	0.143	27	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	134.5440	0.212	2	134.1682	0.143	27	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH){1|N<3>,4|C<3>,4|H<1>}	133.8830	0.000	1	134.1682	0.143	27	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	133.7090	0.000	1	134.1682	0.143	27	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	133.4940	0.000	1	134.1682	0.143	27	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	134.3495	0.258	2	134.1682	0.143	27	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	134.1010	0.441	2	134.1682	0.143	27	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HN)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|S<4>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HN){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	133.1220	0.000	1	133.1220	0.000	1	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6a]C[6]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6a]C[6]H){2|C<4>,3|H<1>,6|C<3>}	134.3057	0.114	3	134.3057	0.013	3	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH){1|N<2>,3|C<3>,4|H<1>}	134.3350	0.000	1	134.1360	0.110	5	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH){1|N<3>,3|C<3>,4|H<1>}	134.2597	0.119	3	134.1360	0.110	5	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	133.5660	0.000	1	134.1360	0.110	5	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[5,6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[5,6]HH){1|N<4>,2|C<3>,2|C<4>,4|H<1>}	136.4220	0.000	1	136.4220	0.000	1	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]CC)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|H<1>,5|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]CC){2|H<1>,3|C<4>,4|C<3>}	134.6240	0.000	1	135.0860	0.427	2	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]CC)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]CC){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	135.5480	0.000	1	135.0860	0.427	2	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]CH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]CH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	135.8710	0.000	1	134.8253	0.527	8	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]CH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]CH){2|H<1>,3|C<3>,4|C<4>}	134.9750	0.000	1	134.8253	0.527	8	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]CH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]CH){2|H<1>,3|C<4>,4|C<3>}	134.3085	0.392	4	134.8253	0.527	8	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]CH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]CH){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	135.8380	0.000	1	134.8253	0.527	8	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]CH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]CH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	134.6840	0.000	1	134.8253	0.527	8	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	134.3930	0.000	1	134.3820	0.315	9	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]HH){1|Cl<1>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	133.7290	0.000	1	134.3820	0.315	9	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	134.2060	0.000	1	134.3820	0.315	9	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]HH){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	134.8388	0.282	4	134.3820	0.315	9	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]HH){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	133.8775	0.694	2	134.3820	0.315	9	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]CC)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]CC){1|N<3>,3|C<3>,5|H<1>}	134.9910	0.000	1	134.9910	0.000	1	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,1|S<4>,2|C<3>,4|H<1>}	132.9267	0.319	3	134.1070	0.958	66	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	133.0650	0.000	1	134.1070	0.958	66	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,1|S<4>,2|C<3>,4|H<1>}	133.1650	0.284	2	134.1070	0.958	66	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	135.4110	0.000	1	134.1070	0.958	66	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	134.4356	0.786	27	134.1070	0.958	66	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<4>,2|C<3>,5|H<1>}	134.5082	0.509	5	134.1070	0.958	66	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	134.5756	0.480	11	134.1070	0.958	66	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	134.1070	0.000	1	134.1070	0.958	66	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	134.6880	0.000	1	134.1070	0.958	66	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	134.5810	0.000	1	134.1070	0.958	66	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|N<2>,1|N<3>,2|C<3>,4|H<1>}	134.7860	0.000	1	134.1070	0.958	66	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){2|C<3>,2|N<3>,4|H<1>}	134.0237	0.273	3	134.1070	0.958	66	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|N<3>,3|C<3>,4|H<1>}	135.0780	0.000	1	134.1070	0.958	66	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	133.4770	0.293	2	134.1070	0.958	66	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	132.1097	0.128	3	134.1070	0.958	66	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	131.6040	0.000	1	134.1070	0.958	66	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	132.3210	0.115	2	134.1070	0.958	66	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH){1|N<2>,3|C<3>,4|H<1>}	134.4703	0.491	7	134.2554	0.247	14	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH){1|N<3>,3|C<3>,4|H<1>}	134.3110	0.470	3	134.2554	0.247	14	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH){1|N<3>,3|H<1>,4|C<3>}	133.5240	0.000	1	134.2554	0.247	14	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH){1|N<2>,3|C<3>,4|H<1>}	133.9690	0.392	2	134.2554	0.247	14	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH){4|C<3>,4|H<1>}	133.8880	0.000	1	134.2554	0.247	14	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]N[5a])(C[6]N[5a]C[6]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|N<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]N[5a])(C[6]N[5a]C[6]H){1|S<4>,2|N<3>,3|H<1>,4|C<3>}	132.8740	0.000	1	132.8740	0.000	1	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5,5,6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5,5,6]HH){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	134.1510	0.000	1	134.1510	0.000	1	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5,6]CH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5,6]CH){1|C<4>,4|C<3>,4|H<1>}	134.4125	0.353	2	133.4497	0.889	6	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5,6]CH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5,6]CH){1|C<4>,3|H<1>,5|C<3>}	132.9683	0.716	4	133.4497	0.889	6	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5,6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5,6]HH){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	134.1420	0.000	1	133.5992	1.090	5	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5,6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5,6]HH){1|N<3>,4|C<3>,4|H<1>}	134.6430	0.000	1	133.5992	1.090	5	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5,6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5,6]HH){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	134.1430	0.000	1	133.5992	1.090	5	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5,6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5,6]HH){1|H<1>,1|N<3>,3|C<3>,4|C<4>}	132.5340	0.641	2	133.5992	1.090	5	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5a,6]CH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5a,6]CH){1|N<3>,2|H<1>,5|C<3>}	133.6825	0.258	2	133.6825	0.067	2	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6,6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6,6]HH){1|N<3>,3|C<3>,5|H<1>}	134.6100	0.000	1	134.4941	0.068	7	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6,6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6,6]HH){1|N<3>,4|C<3>,4|H<1>}	134.2800	0.043	3	134.4941	0.068	7	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6,6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6,6]HH){2|C<4>,3|C<3>,4|H<1>}	134.5070	0.041	2	134.4941	0.068	7	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6,6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6,6]HH){1|N<3>,4|C<3>,4|H<1>}	134.9950	0.000	1	134.4941	0.068	7	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6,6]HN)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|S<4>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6,6]HN){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	133.5090	0.000	1	133.5090	0.000	1	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6,6]HO)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6,6]HO){1|N<3>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	135.6740	0.000	1	135.6740	0.000	1	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CC)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CC){2|C<4>,3|H<1>,4|C<3>}	133.5370	0.000	1	133.5370	0.000	1	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|S<4>,3|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH){1|Cl<1>,1|C<4>,1|S<4>,3|C<3>,3|H<1>}	132.6780	0.000	1	133.8846	0.675	12	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|S<4>,3|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH){1|S<4>,3|C<3>,5|H<1>}	132.4700	0.000	1	133.8846	0.675	12	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	134.1370	0.000	1	133.8846	0.675	12	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH){1|N<3>,2|C<3>,6|H<1>}	134.9370	0.000	1	133.8846	0.675	12	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH){1|N<3>,3|C<3>,5|H<1>}	134.4430	0.000	1	133.8846	0.675	12	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	134.8310	0.000	1	133.8846	0.675	12	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH){1|C<4>,1|O<2>,1|S<4>,2|C<3>,4|H<1>}	133.7990	0.000	1	133.8846	0.675	12	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH){1|C<4>,1|O<2>,1|S<4>,2|C<3>,4|H<1>}	133.2830	0.000	1	133.8846	0.675	12	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH){1|N<3>,1|S<4>,2|C<3>,5|H<1>}	133.7440	0.000	1	133.8846	0.675	12	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH){1|N<3>,3|C<3>,5|H<1>}	134.9380	0.000	1	133.8846	0.675	12	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	133.7460	0.000	1	133.8846	0.675	12	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	133.6090	0.000	1	133.8846	0.675	12	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|F<1>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,2|C<3>,6|H<1>}	134.1460	0.000	1	134.1350	0.452	82	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,2|C<3>,6|H<1>}	134.2220	0.000	1	134.1350	0.452	82	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,2|C<3>,6|H<1>}	134.2720	0.000	1	134.1350	0.452	82	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<2>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	134.0730	0.000	1	134.1350	0.452	82	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	134.1130	0.479	3	134.1350	0.452	82	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	134.3776	0.546	11	134.1350	0.452	82	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	134.5980	0.000	1	134.1350	0.452	82	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<4>,2|C<3>,5|H<1>}	134.2595	0.028	2	134.1350	0.452	82	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<4>,3|C<3>,4|H<1>}	134.5820	0.000	1	134.1350	0.452	82	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,2|C<3>,6|H<1>}	135.0770	0.000	1	134.1350	0.452	82	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,4|C<3>,4|H<1>}	133.8385	0.442	2	134.1350	0.452	82	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|Cl<1>,2|C<3>,2|C<4>,4|H<1>}	135.4490	0.000	1	134.1350	0.452	82	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,5|H<1>}	133.8700	0.000	1	134.1350	0.452	82	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	134.6270	0.000	1	134.1350	0.452	82	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	133.6670	0.000	1	134.1350	0.452	82	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|N<3>,3|C<3>,5|H<1>}	134.2310	0.085	2	134.1350	0.452	82	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|N<3>,4|C<3>,4|H<1>}	134.1830	0.300	5	134.1350	0.452	82	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|N<4>,2|C<3>,6|H<1>}	133.9450	0.000	1	134.1350	0.452	82	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|N<4>,4|C<3>,4|H<1>}	134.3960	0.000	1	134.1350	0.452	82	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|O<2>,3|C<3>,5|H<1>}	134.4170	0.000	1	134.1350	0.452	82	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){2|C<3>,2|C<4>,5|H<1>}	134.6035	0.054	2	134.1350	0.452	82	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,2|C<3>,6|H<1>}	133.5170	0.000	1	134.1350	0.452	82	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<2>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	133.9740	0.683	2	134.1350	0.452	82	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	134.0353	0.233	3	134.1350	0.452	82	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	134.7250	0.000	1	134.1350	0.452	82	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){2|C<3>,2|C<4>,5|H<1>}	132.2290	0.000	1	134.1350	0.452	82	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,1|S<4>,2|C<3>,3|H<1>}	132.2580	0.064	2	134.1350	0.452	82	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	134.3050	0.345	2	134.1350	0.452	82	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	133.9590	0.194	2	134.1350	0.452	82	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	134.7740	0.000	1	134.1350	0.452	82	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,3|C<3>,4|H<1>}	133.2910	0.122	2	134.1350	0.452	82	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|N<2>,3|C<3>,4|H<1>}	134.4960	0.290	3	134.1350	0.452	82	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	134.7860	0.147	2	134.1350	0.452	82	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	134.8810	0.202	2	134.1350	0.452	82	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	134.5290	0.000	1	134.1350	0.452	82	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|O<1>,3|C<3>,4|H<1>}	134.5940	0.714	2	134.1350	0.452	82	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){2|N<3>,3|C<3>,3|H<1>}	134.7590	0.000	1	134.1350	0.452	82	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	134.8090	1.246	2	134.1350	0.452	82	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|N<3>,3|C<3>,4|H<1>}	134.2400	0.000	1	134.1350	0.452	82	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|O<1>,3|C<3>,4|H<1>}	134.2040	0.000	1	134.1350	0.452	82	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	132.7410	0.000	1	134.1350	0.452	82	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,3|H<1>,4|C<3>}	132.6820	0.000	1	134.1350	0.452	82	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	133.2200	0.000	1	134.1350	0.452	82	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	133.5333	0.072	4	134.1350	0.452	82	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	133.7730	0.000	1	134.1350	0.452	82	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|O<1>,3|C<3>,4|H<1>}	133.6190	0.000	1	134.1350	0.452	82	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HN)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|S<4>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HN){1|S<4>,2|C<4>,3|C<3>,3|H<1>}	133.1940	0.000	1	133.1940	0.000	1	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HO)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HO){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	134.2360	0.000	1	134.1875	0.005	2	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HO)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HO){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	134.1390	0.000	1	134.1875	0.005	2	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]C)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]C){1|N<2>,5|C<3>,5|H<1>}	135.2360	0.000	1	135.3712	0.040	5	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]C)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]C){1|N<3>,5|C<3>,5|H<1>}	135.4050	0.214	4	135.3712	0.040	5	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H){1|C<4>,2|C<2>,3|H<1>,5|C<3>}	135.2490	0.407	2	134.6297	0.324	13	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H){1|C<4>,3|H<1>,7|C<3>}	134.5150	0.000	1	134.6297	0.324	13	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H){1|C<4>,5|C<3>,5|H<1>}	134.5890	0.000	1	134.6297	0.324	13	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	134.9590	0.000	1	134.6297	0.324	13	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	135.5250	0.000	1	134.6297	0.324	13	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H){1|C<4>,1|O<2>,3|H<1>,6|C<3>}	133.7210	0.000	1	134.6297	0.324	13	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	134.5610	0.362	2	134.6297	0.324	13	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H){2|C<4>,4|H<1>,5|C<3>}	134.3300	0.000	1	134.6297	0.324	13	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H){3|C<4>,4|C<3>,4|H<1>}	134.0035	0.325	2	134.6297	0.324	13	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H){1|C<4>,4|H<1>,5|C<3>}	134.9200	0.000	1	134.6297	0.324	13	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]N[6]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]N[6]H){1|C<4>,1|S<4>,4|C<3>,4|H<1>}	134.6170	0.577	2	134.4456	0.215	5	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]N[6]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]N[6]H){1|C<4>,4|H<1>,5|C<3>}	134.8560	0.000	1	134.4456	0.215	5	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]N[6]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]N[6]H){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	134.1570	0.000	1	134.4456	0.215	5	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]N[6]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]N[6]H){3|C<4>,3|H<1>,4|C<3>}	133.9810	0.000	1	134.4456	0.215	5	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]O[6]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]O[6]H){1|C<4>,4|C<3>,4|H<1>}	134.7660	0.000	1	134.7660	0.000	1	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]N[6]CH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]N[6]CH){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	134.7990	0.000	1	134.7990	0.000	1	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]O[6]CH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<4>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]O[6]CH){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	133.8490	0.000	2	133.8490	0.000	2	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(C[6]C[6,6a]CH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(C[6]C[6,6a]CH){1|S<4>,2|H<1>,4|C<3>}	134.5400	0.000	1	134.5400	0.000	1	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6]CC)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6]CC){1|C<4>,2|H<1>,3|C<3>}	134.6890	0.000	1	134.6890	0.000	1	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6]CH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6]CH){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	132.6930	0.119	2	132.5420	0.036	4	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6]CH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6]CH){1|C<4>,1|H<1>,5|C<3>}	132.3600	0.000	1	132.5420	0.036	4	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6]CH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6]CH){1|C<4>,3|C<3>,3|H<1>}	132.4220	0.000	1	132.5420	0.036	4	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H){3|H<1>,6|C<3>}	132.5847	0.578	3	132.5847	0.334	3	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[5,6]HO)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[5,6]HO){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	132.1080	0.000	1	132.1080	0.000	1	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6]CC)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6]CC){2|H<1>,4|C<3>}	141.4180	0.000	1	141.4180	0.000	1	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6]CH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6]CH){1|C<4>,2|C<3>,4|H<1>}	134.0160	0.808	2	134.0160	0.652	2	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H){1|C<4>,3|H<1>,5|C<3>}	132.5725	0.139	4	133.3200	0.920	7	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	134.5380	0.000	1	133.3200	0.920	7	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	133.9140	0.000	1	133.3200	0.920	7	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H){2|C<4>,3|H<1>,4|C<3>}	134.4980	0.000	1	133.3200	0.920	7	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[3x6]N[5a])(C[6]C[3x6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[3x6]N[5a])(C[6]C[3x6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	133.2590	0.000	1	133.2590	0.000	1	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH){1|N<3>,3|C<3>,4|H<1>}	134.1357	0.238	3	134.1357	0.057	3	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]CC)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]CC){2|C<3>,3|H<1>,4|C<4>}	134.1520	0.000	1	134.1520	0.000	1	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	133.6820	0.000	1	133.6820	0.000	1	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<4>,2|C<3>,5|H<1>}	133.2900	0.102	2	133.2758	0.135	4	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|N<4>,3|C<3>,5|H<1>}	133.7050	0.000	1	133.2758	0.135	4	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	132.8180	0.000	1	133.2758	0.135	4	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]O[5a])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]O[5a])(C[6]C[6]HH){1|C<4>,1|N<4>,2|C<3>,4|H<1>}	135.7175	0.257	6	135.7175	0.066	6	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	135.8560	0.000	1	135.8560	0.000	1	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]N[6]CH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]N[6]CH){1|Cl<1>,1|H<1>,4|C<3>}	136.3550	0.000	1	136.3550	0.000	1	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]O[6]CH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]O[6]CH){1|C<4>,2|C<3>,3|H<1>}	136.6295	0.146	4	136.6295	0.021	4	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[5,6]HO)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[5,6]HO){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	129.7820	0.000	1	129.7820	0.000	1	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]N[5,6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]N[5,6]HH){1|C<4>,3|C<3>,3|H<1>}	130.0315	0.689	2	130.0315	0.475	2	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]N[5,6]HO)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]N[5,6]HO){1|C<4>,3|C<3>,3|H<1>}	129.8250	0.000	1	129.8250	0.000	1	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]O[6])(C[6]C[6a]C[6]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]O[6])(C[6]C[6a]C[6]H){3|H<1>,5|C<3>}	129.6110	0.290	2	129.6110	0.084	2	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[5,6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[5,6]HH){1|C<3>,1|C<4>,1|N<2>,2|O<2>,4|H<1>}	136.5465	0.172	2	136.5465	0.030	2	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[5,6]HO)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[5,6]HO){1|C<3>,1|C<4>,1|N<2>,2|O<2>,4|H<1>}	136.7650	0.000	1	136.7650	0.000	1	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,1|N<3>,5|H<1>}	135.8760	0.000	1	135.8760	0.000	1	134.1498	1.215	396	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:Si[6]-4:	C[5a,6a](C[5a,6]C[5a,6]Si[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]Si[6])(Si[6]C[5a,6]CC)	C[5a,6a](C[5a,6]C[5a,6]Si[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|Si<4>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]Si[6])(Si[6]C[5a,6]CC){1|H<1>,2|C<4>,4|C<3>}	129.3630	0.021	2	129.3630	0.000	2	129.3630	0.000	2	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6,6]-4:	C[5a,6a](C[5a,6]N[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[6,6a]N[5a])(C[6,6]C[6,6]C[6]H)	C[5a,6a](C[5a,6]N[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[6,6a]N[5a])(C[6,6]C[6,6]C[6]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	135.5810	0.000	1	135.5810	0.000	1	135.5810	0.000	1	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[6,6a]N[5a])(C[6]C[6]CC)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[6,6a]N[5a])(C[6]C[6]CC){1|C<4>,2|H<1>,4|C<3>}	136.1470	0.000	1	136.0007	0.036	3	135.6022	0.659	4	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[6,6a]N[5a])(C[6]C[6]CC)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[6,6a]N[5a])(C[6]C[6]CC){1|O<2>,2|H<1>,4|C<3>}	135.9275	0.200	2	136.0007	0.036	3	135.6022	0.659	4	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[6,6a]N[5a])(C[6]C[6]HH)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[6,6a]N[5a])(C[6]C[6]HH){1|N<3>,2|H<1>,4|C<3>}	134.4070	0.000	1	134.4070	0.000	1	135.6022	0.659	4	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:I-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]I)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(I)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]I){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(I){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|I<1>,1|N<3>,2|C<4>,2|H<1>,3|C<3>}	136.7590	0.000	1	136.7590	0.000	1	136.7590	0.000	1	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]H)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]O){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]H)(O){1|N<3>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]HH){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	131.7912	1.162	4	131.7912	1.350	4	129.2309	2.138	20	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]2)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]2)(O){1|C<4>,1|N<2>,1|N<3>,1|S<2>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH){1|N<2>,1|N<3>,1|O<1>,1|S<2>,4|H<1>}	128.0713	0.130	3	128.4139	0.224	8	129.2309	2.138	20	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]2)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]2)(O){1|C<4>,1|N<2>,1|N<3>,1|S<2>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH){1|N<2>,1|O<1>,2|N<3>,4|H<1>}	128.6194	0.493	5	128.4139	0.224	8	129.2309	2.138	20	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]C)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|S<2>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<2>,1|N<3>,1|O<1>,4|H<1>}	129.3960	0.197	2	129.0112	0.177	5	129.2309	2.138	20	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]C)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|O<2>,1|S<2>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<2>,1|N<3>,1|O<1>,4|H<1>}	128.7547	0.296	3	129.0112	0.177	5	129.2309	2.138	20	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]N)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]N)(O){1|C<3>,1|N<2>,1|S<2>,2|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<2>,1|N<3>,1|O<1>,4|H<1>}	128.7420	0.000	1	128.7420	0.000	1	129.2309	2.138	20	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]S)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]S)(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<2>,1|N<3>,1|O<1>,4|H<1>}	128.0830	0.000	1	128.1720	0.016	2	129.2309	2.138	20	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]S)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]S)(O){1|C<3>,1|C<4>,1|N<2>,2|S<2>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<2>,1|N<3>,1|O<1>,4|H<1>}	128.2610	0.000	1	128.1720	0.016	2	129.2309	2.138	20	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6,6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[4x6]HH)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6,6a]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[4x6]HH){1|H<1>,1|N<3>,1|O<2>,3|C<3>,3|C<4>}	133.4390	0.000	1	133.7320	0.390	3	134.1164	0.479	10	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6,6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[4x6]HH)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6,6a]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[4x6]HH){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	133.8785	0.807	2	133.7320	0.390	3	134.1164	0.479	10	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6,6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6,6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,2|C<3>,6|H<1>}	133.5360	0.000	1	133.5360	0.000	1	134.1164	0.479	10	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH){1|N<2>,3|C<3>,4|H<1>}	133.9215	0.681	2	133.9215	0.464	2	134.1164	0.479	10	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH){4|C<3>,4|H<1>}	134.3380	0.000	1	134.3380	0.000	1	134.1164	0.479	10	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,2|C<3>,6|H<1>}	133.9670	0.000	1	133.9670	0.000	1	134.1164	0.479	10	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	135.0030	0.000	1	135.0030	0.000	1	134.1164	0.479	10	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]O)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	135.2810	0.000	1	135.2810	0.000	1	134.1164	0.479	10	133.9715	2.745	470	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:4:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,6]-4:C[5a,6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6]){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	133.6550	0.000	1	133.0607	0.265	3	132.9100	3.290	6	134.4793	1.711	27	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:4:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,6]-4:C[5a,6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6]){1|S<4>,2|C<4>,3|C<3>,5|H<1>}	132.7450	0.000	1	133.0607	0.265	3	132.9100	3.290	6	134.4793	1.711	27	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:4:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,6]-4:C[5a,6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6]){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	132.7820	0.000	1	133.0607	0.265	3	132.9100	3.290	6	134.4793	1.711	27	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:4:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,6]-4:C[5a,6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5,6]O[5]C)(C[5a,6]N[5a]O[6])	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5,6]O[5]C)(C[5a,6]N[5a]O[6]){2|C<4>,2|H<1>,4|C<3>}	134.1400	0.000	1	134.1400	0.000	1	132.9100	3.290	6	134.4793	1.711	27	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:4:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,6]-4:C[5a,6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5]C[6]O[5])(C[5a,6]N[5a]S[6])	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<2>,2|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5]C[6]O[5])(C[5a,6]N[5a]S[6]){2|C<4>,4|C<3>,5|H<1>}	134.6110	0.000	1	134.6110	0.000	1	132.9100	3.290	6	134.4793	1.711	27	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:4:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,6]-4:C[5a,6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[5a,6]S[5a]C[6])	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[5a,6]S[5a]C[6]){1|S<4>,2|C<3>,2|C<4>,5|H<1>}	129.5270	0.000	1	129.5270	0.000	1	132.9100	3.290	6	134.4793	1.711	27	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:4:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6]-4:C[5a,6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[5,6,6]C[6]H)(C[5a,6]N[5a]C[6])	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[5,6,6]C[6]H)(C[5a,6]N[5a]C[6]){1|C<4>,1|N<3>,4|H<1>,6|C<3>}	135.9015	0.255	2	135.9015	0.065	2	135.2094	0.327	13	134.4793	1.711	27	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:4:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6]-4:C[5a,6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[5a,6]C[6]2)(C[5a,6]C[6,6]N[5a])	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[5a,6]C[6]2)(C[5a,6]C[6,6]N[5a]){1|N<3>,3|C<3>,4|C<4>,6|H<1>}	134.9820	0.000	1	134.9820	0.000	1	135.2094	0.327	13	134.4793	1.711	27	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:4:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6]-4:C[5a,6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5a,6]N[5a]C[6])	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5a,6]N[5a]C[6]){1|C<4>,1|O<2>,4|C<3>,6|H<1>}	135.6370	0.409	2	135.4407	0.199	3	135.2094	0.327	13	134.4793	1.711	27	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:4:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6]-4:C[5a,6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5a,6]N[5a]C[6])	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5a,6]N[5a]C[6]){3|C<3>,3|C<4>,6|H<1>}	135.0480	0.000	1	135.4407	0.199	3	135.2094	0.327	13	134.4793	1.711	27	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:4:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6]-4:C[5a,6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]N[6]H)(C[5a,6]N[5a]C[6])	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]N[6]H)(C[5a,6]N[5a]C[6]){2|C<3>,4|C<4>,5|H<1>}	135.0610	1.140	2	134.9905	0.344	6	135.2094	0.327	13	134.4793	1.711	27	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:4:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6]-4:C[5a,6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]N[6]H)(C[5a,6]N[5a]C[6])	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]N[6]H)(C[5a,6]N[5a]C[6]){2|C<4>,3|C<3>,6|H<1>}	135.2510	0.000	1	134.9905	0.344	6	135.2094	0.327	13	134.4793	1.711	27	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:4:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6]-4:C[5a,6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]N[6]H)(C[5a,6]N[5a]C[6])	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]N[6]H)(C[5a,6]N[5a]C[6]){3|C<3>,3|C<4>,5|H<1>}	135.0280	0.334	2	134.9905	0.344	6	135.2094	0.327	13	134.4793	1.711	27	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:4:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6]-4:C[5a,6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]N[6]H)(C[5a,6]N[5a]C[6])	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]N[6]H)(C[5a,6]N[5a]C[6]){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	134.5140	0.000	1	134.9905	0.344	6	135.2094	0.327	13	134.4793	1.711	27	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:4:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6]-4:C[5a,6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[5a,6]N[5a]C[6])	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[5a,6]N[5a]C[6]){3|C<3>,3|C<4>,4|H<1>}	134.6720	0.000	1	134.6720	0.000	1	135.2094	0.327	13	134.4793	1.711	27	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:4:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6]-4:N[5a,6]-3:	C[5a,6a](C[5a,6]N[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6a]N[6,6]H)(N[5a,6]C[6,6a]N[5a])	C[5a,6a](C[5a,6]N[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6a]N[6,6]H)(N[5a,6]C[6,6a]N[5a]){1|C<4>,1|H<1>,6|C<3>}	134.8350	0.000	1	134.8350	0.000	1	134.8350	0.000	1	134.4793	1.711	27	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:4:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a,6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5,6]C[6a]H)(C[5a,6]N[5a]C[6])	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5,6]C[6a]H)(C[5a,6]N[5a]C[6]){1|C<4>,3|H<1>,7|C<3>}	134.4668	0.697	5	134.4668	0.485	5	134.4978	0.394	6	134.4793	1.711	27	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:4:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a,6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5,6]C[6a]H)(C[5a,6]N[5a]S[6])	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5,6]C[6a]H)(C[5a,6]N[5a]S[6]){1|H<1>,2|C<4>,6|C<3>}	134.6530	0.000	1	134.6530	0.000	1	134.4978	0.394	6	134.4793	1.711	27	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a,6]-3:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6,6a]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6]C[4x6]C[6a]H)(C[5a,6]N[5a]C[6])	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6,6a]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6]C[4x6]C[6a]H)(C[5a,6]N[5a]C[6]){1|H<1>,1|N<3>,2|O<2>,3|C<4>,4|C<3>}	133.9360	0.000	1	133.9360	0.000	1	133.9360	0.000	1	134.4793	1.711	27	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	4:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5a,6a]-3:C[5a,6]-3:	C[5a,6a](C[5a,6]C[5,6,6]C[5a,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])	C[5a,6a](C[5a,6]C[5,6,6]C[5a,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6]){2|C<3>,4|H<1>,5|C<4>}	134.0490	0.000	1	134.0490	0.000	1	135.3495	3.383	2	134.7597	1.889	6	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	4:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5a,6a]-3:C[5a,6]-3:	C[5a,6a](C[5a,6]C[5,6,6]C[5a,6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H)	C[5a,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])	C[5a,6a](C[5a,6]C[5,6,6]C[5a,6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6]){3|C<3>,4|C<4>,4|H<1>}	136.6500	0.000	1	136.6500	0.000	1	135.3495	3.383	2	134.7597	1.889	6	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	4:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5a,6a]-3:C[5a,6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a]){1|N<3>,1|O<1>,1|S<2>,3|H<1>,6|C<3>}	136.1590	0.000	1	136.1590	0.000	1	134.4648	1.674	4	134.7597	1.889	6	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	4:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5a,6a]-3:C[5a,6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6]){1|C<4>,1|N<3>,1|O<1>,1|S<4>,4|H<1>,5|C<3>}	133.0560	0.000	1	133.0560	0.000	1	134.4648	1.674	4	134.7597	1.889	6	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	4:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5a,6a]-3:C[5a,6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a]){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,6|C<3>}	134.3220	0.354	2	134.3220	0.125	2	134.4648	1.674	4	134.7597	1.889	6	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:2:	3:3:2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:S-2:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]S)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(SC[6a])	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]S){1|B<4>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(SC[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|Cl<1>,1|N<2>,1|S<2>,2|N<3>,3|C<3>}	132.4115	0.681	2	132.4115	0.464	2	132.2582	0.384	6	132.2582	0.384	6	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:2:	3:3:2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:S-2:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]S)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(SC[6a])	C[5a,6](N[5a,6,6]C[5a,6]Si[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]S){1|Si<6>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(SC[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]Si[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|N<2>,1|S<2>,2|O<2>,3|C<3>,3|N<3>}	132.1815	0.680	4	132.1815	0.462	4	132.2582	0.384	6	132.2582	0.384	6	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:2:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(OC)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	134.3420	0.000	1	134.3420	0.000	1	134.2955	0.004	2	134.2955	0.004	2	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:2:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(OC[6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(OC[6]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	134.2490	0.000	1	134.2490	0.000	1	134.2955	0.004	2	134.2955	0.004	2	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(COO)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6,6a]O)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(COO){1|C<4>,1|O<2>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6,6a]O){1|O<1>,5|C<3>}	137.3840	0.000	1	137.3840	0.000	1	137.3840	0.000	1	136.2947	1.201	4	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6]-3:N[5a,6]-3:	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2){1|B<4>,1|H<1>,7|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)2{1|N<3>,2|H<1>,8|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6]){1|H<1>,1|N<3>,2|F<1>,6|C<3>}	134.7750	0.000	1	134.7750	0.000	1	134.7750	0.000	1	136.2947	1.201	4	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]O)(CCO)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6,6a]O)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]C){1|O<1>,1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]O)(CCO){1|O<2>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6,6a]O){1|O<1>,5|C<3>}	136.4280	0.000	1	136.4280	0.000	1	136.5100	0.013	2	136.2947	1.201	4	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]O)(CHO)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6,6a]O)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]C){1|O<1>,1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]O)(CHO){1|O<2>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6,6a]O){1|O<1>,5|C<3>}	136.5920	0.000	1	136.5920	0.000	1	136.5100	0.013	2	136.2947	1.201	4	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(COO)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(COO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	136.0720	0.989	2	136.0720	0.977	2	136.0720	0.977	2	136.0720	0.977	2	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:4:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(CCHH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6]CH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(CCHH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6]CH){2|C<3>,2|C<4>,4|H<1>}	136.9680	0.000	1	136.9680	0.000	1	136.9680	0.000	1	136.9680	0.000	1	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:4:2:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6]-4:N[6a]-2:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]C[6])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6]C[6]2C)(N[6a]C[6a])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]C[6]){1|C<2>,1|C<3>,2|H<1>,4|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6]C[6]2C)(N[6a]C[6a]){1|N<2>,1|S<2>,2|C<3>,2|C<4>,5|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH){2|C<4>,2|N<2>,4|H<1>}	136.0610	0.000	1	136.0610	0.000	1	136.0610	0.000	1	136.0610	0.000	1	133.0328	3.139	1411	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a]){1|N<2>,1|O<2>,2|C<3>,3|H<1>}	135.6350	0.113	2	135.6350	0.013	2	135.6350	0.013	2	134.4967	3.894	3	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:N[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]O[6a]O)	C[6a](C[5a,6a]C[5a,6a]2)(O[6a]C[6a])(O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]O[6a]O){1|I<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(O[6a]C[6a])(O){1|N<3>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(N[6a]C[6a]){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	132.2200	0.000	1	132.2200	0.000	1	132.2200	0.000	1	134.4967	3.894	3	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:3:	C[5a,5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,5a,6a]C[5a,6a]N[5a,5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,5a,6a]C[5a,6a])(N[6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,5a,6a]C[6a])(C[5a,6a]N[5a,5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,5a,6a]C[5a,6a]N[5a,5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]H){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,5a,6a]C[5a,6a])(N[6a]C[6a])(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a,6a]C[6a])(C[5a,6a]N[5a,5a]C[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	144.9457	0.250	3	144.9457	0.063	3	144.9457	0.063	3	135.2774	17.008	27	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(N[6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(N[6a]C[6a])(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	138.7460	0.000	1	138.7460	0.000	1	138.7460	0.000	1	135.2774	17.008	27	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]Cl)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])(Cl)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]Cl){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])(Cl){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,1|N<2>,2|C<3>,3|H<1>}	137.2460	0.000	1	137.2460	0.000	1	137.2460	0.000	1	135.2774	17.008	27	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:F-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]N[6a]F)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(F)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]N[6a]F){1|F<1>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(F){1|F<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|F<1>,1|N<2>,2|C<3>,2|H<1>}	132.1000	0.000	1	132.1000	0.000	1	132.1000	0.000	1	135.2774	17.008	27	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a,6a]C[6a])(C[5a,6a]N[5a,5a]C[6a])(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(H)	C[5a,6a](C[5a,5a,6a]C[5a,6a]N[5a,5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a,6a]C[6a])(C[5a,6a]N[5a,5a]C[6a])(C[6a]N[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,5a,6a]C[5a,6a]N[5a,5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	134.1360	3.311	2	134.1360	10.961	2	134.1360	10.961	2	135.2774	17.008	27	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	135.2930	0.905	2	135.2930	0.819	2	135.7346	1.214	8	135.2774	17.008	27	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[6a]N[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])(H){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	136.5735	0.493	4	136.5735	0.243	4	135.7346	1.214	8	135.2774	17.008	27	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]H){1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(H){1|Br<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|S<4>,2|C<3>,3|H<1>}	133.9110	0.000	1	134.4985	0.690	2	135.7346	1.214	8	135.2774	17.008	27	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	135.0860	0.000	1	134.4985	0.690	2	135.7346	1.214	8	135.2774	17.008	27	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]O[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(O[6a]C[6a,6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]O[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(O[6a]C[6a,6a])(H){5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	130.0910	0.345	2	130.0910	0.119	2	130.0910	0.119	2	135.2774	17.008	27	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[6a]O[6a]O)	C[6a](C[5a,6a]C[5a,6a]2)(O[6a]C[6a,6a])(O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[6a]O[6a]O){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(O[6a]C[6a,6a])(O){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	132.0500	0.000	1	132.1090	0.047	3	132.8033	0.365	9	135.2774	17.008	27	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[6a]O[6a]O)	C[6a](C[5a,6a]C[5a,6a]2)(O[6a]C[6a,6a])(O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[6a]O[6a]O){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(O[6a]C[6a,6a])(O){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|O<2>}	132.1385	0.298	2	132.1090	0.047	3	132.8033	0.365	9	135.2774	17.008	27	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]O[6a]O)	C[6a](C[5a,6a]C[5a,6a]2)(O[6a]C[6a])(O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]O[6a]O){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(O[6a]C[6a])(O){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	133.1440	0.000	1	133.1505	0.131	6	132.8033	0.365	9	135.2774	17.008	27	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]O[6a]O)	C[6a](C[5a,6a]C[5a,6a]2)(O[6a]C[6a])(O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]O[6a]O){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(O[6a]C[6a])(O){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|F<1>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	133.3950	0.064	2	133.1505	0.131	6	132.8033	0.365	9	135.2774	17.008	27	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]O[6a]O)	C[6a](C[5a,6a]C[5a,6a]2)(O[6a]C[6a])(O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]O[6a]O){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(O[6a]C[6a])(O){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	133.2605	0.110	2	133.1505	0.131	6	132.8033	0.365	9	135.2774	17.008	27	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]O[6a]O)	C[6a](C[5a,6a]C[5a,6a]2)(O[6a]C[6a])(O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]O[6a]O){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(O[6a]C[6a])(O){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	132.4480	0.000	1	133.1505	0.131	6	132.8033	0.365	9	135.2774	17.008	27	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(NC[6]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(NC[6]C){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|N<2>,3|H<1>}	139.8110	0.000	1	139.8110	0.000	1	139.7195	0.017	2	136.9627	13.690	4	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]O[5a])(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(NC[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]O[5a])(C[6a]N[6a]N){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(NC[6a]H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>,2|N<2>}	139.6280	0.000	1	139.6280	0.000	1	139.7195	0.017	2	136.9627	13.690	4	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N[6]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]N[6])	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])(N[6]C[6]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]N[6]){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])(N[6]C[6]2){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	136.5140	0.000	1	136.5140	0.000	1	136.5140	0.000	1	136.9627	13.690	4	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]O[6a])	C[6a](C[5a,6a]C[5a,6a]2)(O[6a]C[6a,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]O[6a]){1|H<1>,7|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(O[6a]C[6a,6a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	131.8980	0.000	1	131.8980	0.000	1	131.8980	0.000	1	136.9627	13.690	4	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[5a,6a])(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[5a,6a])(CH3){2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	133.3110	0.000	1	133.3110	0.000	1	135.0853	1.850	4	135.0853	1.850	4	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]C){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(CC[6a]HH){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	135.7880	0.000	1	135.7880	0.000	1	135.0853	1.850	4	135.0853	1.850	4	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]C){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(CH3){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	136.4380	0.000	1	135.6210	1.335	2	135.0853	1.850	4	135.0853	1.850	4	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]C){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(CH3){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	134.8040	0.000	1	135.6210	1.335	2	135.0853	1.850	4	135.0853	1.850	4	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:S[6a]-2:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]S[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]S[6a])(S[6a]C[6a])	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]S[6a])(C[6a]C[6a]H){1|H<1>,1|S<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]S[6a])(S[6a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	136.1133	0.123	3	136.1133	0.015	3	136.1133	0.015	3	133.5317	5.341	67	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a]){1|H<1>,1|O<1>,5|C<3>}	130.5165	0.194	2	130.5165	0.038	2	133.4600	5.353	60	133.5317	5.341	67	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(N[6a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|Br<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(N[6a]C[5a,6a]){1|H<1>,1|O<1>,4|C<3>}	131.0660	0.000	1	131.0660	0.000	1	133.4600	5.353	60	133.5317	5.341	67	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,5|C<3>}	133.9700	0.109	2	133.9193	0.014	3	133.4600	5.353	60	133.5317	5.341	67	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a,6a]){1|N<3>,2|H<1>,4|C<3>}	133.8180	0.000	1	133.9193	0.014	3	133.4600	5.353	60	133.5317	5.341	67	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	134.5290	0.000	1	134.1863	1.041	13	133.4600	5.353	60	133.5317	5.341	67	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a]){1|H<1>,1|N<3>,1|S<4>,4|C<3>}	132.4430	0.000	1	134.1863	1.041	13	133.4600	5.353	60	133.5317	5.341	67	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a]){1|H<1>,1|S<4>,5|C<3>}	132.6060	0.000	1	134.1863	1.041	13	133.4600	5.353	60	133.5317	5.341	67	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a]){1|S<4>,2|H<1>,4|C<3>}	132.4380	0.000	1	134.1863	1.041	13	133.4600	5.353	60	133.5317	5.341	67	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a]){1|O<2>,3|C<3>,3|H<1>}	134.7280	0.141	4	134.1863	1.041	13	133.4600	5.353	60	133.5317	5.341	67	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a]){2|H<1>,5|C<3>}	134.7160	0.317	2	134.1863	1.041	13	133.4600	5.353	60	133.5317	5.341	67	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a]){3|C<3>,4|H<1>}	133.8250	0.000	1	134.1863	1.041	13	133.4600	5.353	60	133.5317	5.341	67	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a]){3|H<1>,4|C<3>}	135.1185	0.125	2	134.1863	1.041	13	133.4600	5.353	60	133.5317	5.341	67	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[5a,6a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	134.2630	0.000	1	133.6430	0.769	2	133.4600	5.353	60	133.5317	5.341	67	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[5a,6a]){1|H<1>,1|N<2>,4|C<3>}	133.0230	0.000	1	133.6430	0.769	2	133.4600	5.353	60	133.5317	5.341	67	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[6a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,4|C<3>}	133.2177	0.745	3	133.7183	0.635	8	133.4600	5.353	60	133.5317	5.341	67	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[6a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[6a,6a]){2|H<1>,4|C<3>}	135.2120	0.000	1	133.7183	0.635	8	133.4600	5.353	60	133.5317	5.341	67	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[6a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[6a,6a]){1|H<1>,5|C<3>}	133.7203	0.342	4	133.7183	0.635	8	133.4600	5.353	60	133.5317	5.341	67	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	134.4698	0.458	6	134.1961	0.699	7	133.4600	5.353	60	133.5317	5.341	67	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	132.5540	0.000	1	134.1961	0.699	7	133.4600	5.353	60	133.5317	5.341	67	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(N[6a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(N[6a]C[5a,6a]){1|N<3>,2|H<1>,3|C<3>}	134.9840	0.000	1	134.9840	0.000	1	133.4600	5.353	60	133.5317	5.341	67	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(N[6a]C[5,6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(N[6a]C[5,6a]){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	135.2390	0.000	1	135.2390	0.000	1	133.4600	5.353	60	133.5317	5.341	67	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	135.2290	0.000	1	135.6908	0.120	12	133.4600	5.353	60	133.5317	5.341	67	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(N[6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	135.8310	0.369	4	135.6908	0.120	12	133.4600	5.353	60	133.5317	5.341	67	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(N[6a]C[6a]){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	135.6767	0.321	7	135.6908	0.120	12	133.4600	5.353	60	133.5317	5.341	67	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(N[6a]C[5,6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(N[6a]C[5,6a]){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	129.1910	0.000	1	129.1910	0.000	1	133.4600	5.353	60	133.5317	5.341	67	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(N[6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	128.2870	0.000	1	129.0724	0.396	7	133.4600	5.353	60	133.5317	5.341	67	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(N[6a]C[6a]){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	129.2033	0.575	6	129.0724	0.396	7	133.4600	5.353	60	133.5317	5.341	67	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]S[5a])(N[6a]C[6a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]S[5a])(N[6a]C[6a,6a]){1|H<1>,4|C<3>}	127.4270	0.000	1	127.4270	0.000	1	133.4600	5.353	60	133.5317	5.341	67	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a]){1|N<2>,3|C<3>,3|H<1>}	134.2800	0.000	1	134.2800	0.000	1	133.4600	5.353	60	133.5317	5.341	67	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:S[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]S[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]S[5a])(S[6a]C[6a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]S[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|S<2>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]S[5a])(S[6a]C[6a,6a]){1|H<1>,5|C<3>}	129.9430	0.000	1	129.9430	0.000	1	129.9430	0.000	1	133.5317	5.341	67	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(N[6a]C[6a,6a])	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(N[6a]C[6a,6a]){1|H<1>,1|O<1>,5|C<3>}	132.0880	0.000	1	132.0880	0.000	1	132.0880	0.000	1	133.5317	5.341	67	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:I-1:	C[5a,6a]-3:N[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]I)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(I)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]I){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(I){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(N[6a]C[6a]){1|I<1>,1|S<2>,4|C<3>}	134.5570	0.000	1	134.5570	0.000	1	134.5570	0.000	1	133.5317	5.341	67	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]){1|Br<1>,2|H<1>,4|C<3>}	134.0920	0.000	1	134.0920	0.000	1	134.0920	0.000	1	133.5317	5.341	67	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,5a,6a]C[5a,6a]N[5a,5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a,6a]C[5a,6a])(C[6a]C[6a]B[5])(H)	C[5a,6a](C[5a,6a]C[5a,5a,6a]C[6a])(C[5a,6a]N[5a,5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,5a,6a]C[5a,6a]N[5a,5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|B<3>,1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,5a,6a]C[5a,6a])(C[6a]C[6a]B[5])(H){1|H<1>,1|N<3>,2|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a,6a]C[6a])(C[5a,6a]N[5a,5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	142.5615	0.757	2	142.5615	0.574	2	143.5781	1.577	8	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,5a,6a]C[5a,6a]N[5a,5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a,6a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a,6a]C[6a])(C[5a,6a]N[5a,5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,5a,6a]C[5a,6a]N[5a,5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,5a,6a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a,6a]C[6a])(C[5a,6a]N[5a,5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	142.6410	0.000	1	143.5285	1.446	4	143.5781	1.577	8	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,5a,6a]C[5a,6a]N[5a,5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a,6a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a,6a]C[6a])(C[5a,6a]N[5a,5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,5a,6a]C[5a,6a]N[5a,5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,5a,6a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a,6a]C[6a])(C[5a,6a]N[5a,5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	143.8243	1.282	3	143.5285	1.446	4	143.5781	1.577	8	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,5a,6a]C[5a,6a]N[5a,5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a,6a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a,6a]C[6a])(C[5a,6a]N[5a,5a]C[6a])(C[6a]N[6a]H)	C[5a,6a](C[5a,5a,6a]C[5a,6a]N[5a,5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,5a,6a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a,6a]C[6a])(C[5a,6a]N[5a,5a]C[6a])(C[6a]N[6a]H){2|H<1>,4|C<3>}	144.6940	1.250	2	144.6940	1.563	2	143.5781	1.577	8	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6,6a]C[6,6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(C[6a]C[6,6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6,6a]C[6,6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	C[6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(C[6a]C[6,6a]C)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	137.0527	1.257	3	137.0527	1.579	3	136.2716	1.090	12	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|B<4>,1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,1|C<4>,2|H<1>,3|C<3>}	136.0265	0.633	4	136.0265	0.401	4	136.2716	1.090	12	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	136.3050	0.626	2	135.7765	1.399	4	136.2716	1.090	12	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(C[6a]C[6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	136.4070	0.000	1	135.7765	1.399	4	136.2716	1.090	12	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|Si<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	134.0890	0.000	1	135.7765	1.399	4	136.2716	1.090	12	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(C[6a]N[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(C[6a]N[6a]H)(H){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	136.8890	0.000	1	136.8890	0.000	1	136.2716	1.090	12	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a,6a]C[5,6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[5,6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a,6a]C[5,6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[5,6a,6a]C[6a])(H){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	132.5650	0.000	1	132.5650	0.000	1	133.3982	1.375	5	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(H){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	134.6760	0.013	2	134.6760	0.000	2	133.3982	1.375	5	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	132.5370	0.240	2	132.5370	0.058	2	133.3982	1.375	5	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[5,6a]H)(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[5,6a]H)(H){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	135.3820	0.000	1	135.3820	0.000	1	136.9004	1.708	8	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6,6a]H)(H){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	138.9490	0.000	1	138.9490	0.000	1	136.9004	1.708	8	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|H<1>,8|C<3>}	137.7575	0.740	2	137.7575	0.548	2	136.9004	1.708	8	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	135.2120	0.000	1	135.2120	0.000	1	136.9004	1.708	8	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	136.4300	0.000	1	136.4300	0.000	1	136.9004	1.708	8	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	136.8575	0.599	2	136.8575	0.359	2	136.9004	1.708	8	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[5,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]2){1|H<1>,8|C<3>}	135.5380	0.000	1	135.5380	0.000	1	135.5380	0.000	1	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[5a,6a]H)(H){5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	139.0700	0.495	2	139.0700	0.245	2	136.2118	0.870	45	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a]N[6a])	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a]N[6a]){1|H<1>,1|N<2>,1|O<2>,5|C<3>}	137.4083	0.369	4	137.4083	0.136	4	136.2118	0.870	45	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|H<1>,8|C<3>}	136.4030	0.033	2	136.4030	0.001	2	136.2118	0.870	45	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	135.9205	0.430	21	135.9205	0.185	21	136.2118	0.870	45	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a]){1|H<1>,8|C<3>}	135.5697	0.290	8	135.5697	0.084	8	136.2118	0.870	45	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|H<1>,8|C<3>}	135.7960	0.223	3	135.7960	0.050	3	136.2118	0.870	45	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H){2|H<1>,5|C<3>}	135.3260	0.059	2	135.3260	0.004	2	136.2118	0.870	45	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a,6a]C[6,6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a,6a]C[6,6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|B<3>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6,6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	137.5200	0.000	1	137.5200	0.000	1	136.2118	0.870	45	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]N[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]N[6a]C)(H){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	137.2515	0.190	2	137.2515	0.036	2	136.2118	0.870	45	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|H<1>,1|O<1>,7|C<3>}	135.8870	0.000	1	135.8870	0.000	1	135.8870	0.000	1	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5,6a]C[5,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(H){7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5,6a]C[5,6a]2){2|H<1>,7|C<3>}	133.7370	0.000	1	133.7370	0.000	1	133.7370	0.000	1	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H){1|C<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(H){1|C<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,3|C<3>,3|H<1>}	130.8370	0.000	1	131.0007	1.072	3	132.1716	1.952	7	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(H){7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	131.0825	1.450	2	131.0007	1.072	3	132.1716	1.952	7	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(H){7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	131.7950	0.000	1	131.7950	0.000	1	132.1716	1.952	7	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(H){1|Se<2>,1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H){1|C<4>,2|H<1>,4|C<3>}	133.6805	0.029	2	133.6805	0.001	2	132.1716	1.952	7	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)	C[6a](C[5,6a]N[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[5,6a]N[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(H){1|C<4>,1|O<1>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	133.0430	0.000	1	133.0430	0.000	1	132.1716	1.952	7	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[5,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[5,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[5a,6a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[5,6a]2)(H){1|C<4>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[5a,6a]C[6a]N[5a]){2|H<1>,8|C<3>}	134.8060	0.000	1	134.8060	0.000	1	134.8060	0.000	1	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:F-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]F)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(F)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]F)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]F){1|S<2>,2|F<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(F){1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]F){3|C<3>,3|F<1>}	132.6185	0.036	2	132.6185	0.001	2	132.0223	1.067	3	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:F-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]F)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(F)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]F){1|F<1>,1|H<1>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(F){1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|F<1>,2|H<1>,3|C<3>}	130.8300	0.000	1	130.8300	0.000	1	132.0223	1.067	3	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]2)2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){1|S<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)2(H){1|N<3>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	131.7960	0.000	1	132.2094	0.480	5	132.2375	4.105	34	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]2)2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){1|S<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)2(H){1|N<3>,1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	131.5340	0.000	1	132.2094	0.480	5	132.2375	4.105	34	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]2)2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)2(H){2|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	132.2120	0.346	2	132.2094	0.480	5	132.2375	4.105	34	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]2)2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)2(H){1|N<3>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	133.2930	0.000	1	132.2094	0.480	5	132.2375	4.105	34	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){1|S<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|N<3>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|H<1>,3|C<3>}	132.2470	0.000	1	132.2470	0.000	1	132.2375	4.105	34	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(H){1|C<4>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	132.4960	0.232	2	132.5394	0.082	8	132.2375	4.105	34	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(H){1|C<4>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	132.4850	0.000	1	132.5394	0.082	8	132.2375	4.105	34	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(H){1|N<3>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	132.4380	0.427	3	132.5394	0.082	8	132.2375	4.105	34	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,3|C<3>,3|H<1>}	132.6650	0.000	1	132.5394	0.082	8	132.2375	4.105	34	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	132.8590	0.000	1	132.5394	0.082	8	132.2375	4.105	34	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5a,6a]C[5a,6a]2)(H){1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	132.5320	0.158	2	132.5320	0.025	2	132.2375	4.105	34	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(H){1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	131.8500	1.140	2	131.8500	1.299	2	132.2375	4.105	34	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]2)2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)2(H){1|N<3>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	134.7485	0.057	2	134.7485	0.003	2	132.2375	4.105	34	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(H){1|O<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	134.2270	0.006	2	134.2270	0.000	2	132.2375	4.105	34	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5a,6a]C[5a,6a]2)(H){1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H){2|H<1>,4|C<3>}	133.5480	0.000	1	133.5480	0.000	1	132.2375	4.105	34	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]2)2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)2(H){1|N<3>,1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	127.6840	0.000	1	127.6840	0.000	1	132.2375	4.105	34	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(H){1|C<4>,1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	128.7530	1.885	2	128.7530	3.554	2	132.2375	4.105	34	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(H){1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	131.9353	0.183	3	131.8110	0.084	4	132.2375	4.105	34	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(H){1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C){1|S<2>,2|H<1>,3|C<3>}	131.4380	0.000	1	131.8110	0.084	4	132.2375	4.105	34	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(H){1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	128.6245	0.392	2	128.6245	0.154	2	132.2375	4.105	34	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]O[5a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]2)2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]O[5a])(C[6a]C[5a,6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)2(H){1|N<2>,2|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	136.2605	0.056	2	136.2605	0.003	2	132.2375	4.105	34	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]2)2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)2(H){2|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a]){1|C<4>,3|H<1>,5|C<3>}	134.8630	0.000	1	134.8630	0.000	1	134.8630	0.000	1	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:I-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]I)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2)(I)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]I){1|F<1>,1|I<1>,1|O<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2)(I){1|O<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F){1|I<1>,1|O<1>,2|F<1>,3|C<3>}	133.3480	0.000	1	133.3480	0.000	1	133.3480	0.000	1	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]H){1|H<1>,1|S<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6,6a]2)(H){1|C<4>,1|N<2>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|S<4>,2|C<3>,3|H<1>}	135.6690	0.000	1	135.6690	0.000	1	135.6690	0.000	1	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(Br)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(Br){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,2|H<1>,4|C<3>}	134.1310	0.000	1	134.1310	0.000	1	134.1310	0.000	1	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Cl)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(Cl)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Cl){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(Cl){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a]N[5a]){1|Cl<1>,2|H<1>,6|C<3>}	136.6310	0.000	1	136.6310	0.000	1	136.6310	0.000	1	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(Cl)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(Cl){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,5|C<3>}	136.3550	0.000	1	136.3550	0.000	1	136.3550	0.000	1	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]I)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F){1|I<1>,1|O<1>,2|F<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]F)(F){1|F<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]I){1|F<1>,1|I<1>,1|O<1>,4|C<3>}	136.2990	0.000	1	136.2990	0.000	1	132.9360	3.884	8	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]F){1|C<4>,2|F<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]F)(F){1|C<2>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C){1|C<4>,1|F<1>,1|S<2>,3|C<3>}	134.0200	0.000	1	134.0487	0.001	3	132.9360	3.884	8	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]F){1|C<4>,2|F<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]F)(F){1|F<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C){1|C<4>,1|F<1>,1|S<2>,3|C<3>}	134.0630	0.021	2	134.0487	0.001	3	132.9360	3.884	8	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]F)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]F){3|C<3>,3|F<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]F)(F){1|F<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]F){1|S<2>,2|F<1>,3|C<3>}	131.7225	0.129	2	131.7225	0.017	2	132.9360	3.884	8	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]S)(F)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]F){1|F<1>,1|H<1>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]S)(F){1|F<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|F<1>,2|H<1>,3|C<3>}	130.7990	0.257	2	130.7990	0.066	2	132.9360	3.884	8	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a,6a]C[6a])(C[5a,6a]N[5a,5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a,6a]C[5a,6a]N[5a,5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a,6a]C[6a])(C[5a,6a]N[5a,5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,5a,6a]C[5a,6a]N[5a,5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|B<3>,1|H<1>,5|C<3>}	133.8915	0.588	2	133.3500	0.475	5	133.4897	0.334	9	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a,6a]C[6a])(C[5a,6a]N[5a,5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a,6a]C[5a,6a]N[5a,5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a,6a]C[6a])(C[5a,6a]N[5a,5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,5a,6a]C[5a,6a]N[5a,5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	132.9890	0.538	3	133.3500	0.475	5	133.4897	0.334	9	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a,6a]C[6a])(C[5a,6a]N[5a,5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a,6a]C[5a,6a]N[5a,5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a,6a]C[6a])(C[5a,6a]N[5a,5a]C[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,5a,6a]C[5a,6a]N[5a,5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]H){1|H<1>,5|C<3>}	133.6797	0.524	3	133.6797	0.275	3	133.4897	0.334	9	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a,6a]C[6a])(C[5a,6a]N[5a,5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[5a])(H)	C[5a,6a](C[5a,5a,6a]C[5a,6a]N[5a,5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a,6a]C[6a])(C[5a,6a]N[5a,5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[5a])(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,5a,6a]C[5a,6a]N[5a,5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	133.6180	0.000	1	133.6180	0.000	1	133.4897	0.334	9	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a,6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a,6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a]){2|C<4>,2|H<1>,5|C<3>}	135.7450	0.362	2	135.7450	0.131	2	135.7450	0.131	2	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a]C[6a])(H){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]H){1|H<1>,2|C<4>,3|C<3>}	134.7410	0.000	1	134.7410	0.000	1	133.6594	0.418	14	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|B<4>,1|C<4>,1|H<1>,4|C<3>}	133.5377	0.496	4	133.5377	0.246	4	133.6594	0.418	14	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6,6a]C[6,6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	133.7550	0.238	2	133.9590	0.153	3	133.6594	0.418	14	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6,6a]C[6,6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	134.3670	0.000	1	133.9590	0.153	3	133.6594	0.418	14	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C){1|B<4>,1|H<1>,1|N<3>,4|C<3>}	134.3890	0.000	1	134.3890	0.000	1	133.6594	0.418	14	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	133.6680	0.738	2	133.2148	0.344	5	133.6594	0.418	14	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,1|S<4>,2|H<1>,3|C<3>}	133.0060	0.000	1	133.2148	0.344	5	133.6594	0.418	14	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	133.1230	0.000	1	133.2148	0.344	5	133.6594	0.418	14	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|Si<4>,2|H<1>,4|C<3>}	132.6090	0.000	1	133.2148	0.344	5	133.6594	0.418	14	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a,6a]C[5,6a,6a]C[5a,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a,6a]C[5,6a,6a]C[5a,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,8|C<3>}	131.9114	0.545	5	131.9114	0.297	5	131.9114	0.297	5	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a,6a]C[5,6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a,6a]C[5,6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a]){2|H<1>,7|C<3>}	133.4685	0.633	2	133.4685	0.401	2	132.8424	1.386	7	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a]){2|H<1>,7|C<3>}	132.1095	0.848	4	132.1095	0.720	4	132.8424	1.386	7	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,8|C<3>}	134.5220	0.000	1	134.5220	0.000	1	132.8424	1.386	7	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a,6a]C[5,6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a,6a]C[5,6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	130.2120	0.000	1	130.2120	0.000	1	131.4604	0.535	33	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C){1|H<1>,6|C<3>}	132.5950	0.000	1	132.5950	0.000	1	131.4604	0.535	33	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	130.9985	0.062	2	130.9985	0.004	2	131.4604	0.535	33	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	131.3775	0.325	2	131.3775	0.105	2	131.4604	0.535	33	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	131.5470	0.551	21	131.5470	0.303	21	131.4604	0.535	33	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|H<1>,8|C<3>}	131.0970	0.000	1	131.0970	0.000	1	131.4604	0.535	33	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	130.0120	0.799	2	130.0120	0.638	2	131.4604	0.535	33	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a,6a]C[6,6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[6,6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|B<3>,2|H<1>,4|C<3>}	132.4860	0.000	1	132.4860	0.000	1	131.4604	0.535	33	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,5|C<3>}	132.2695	0.426	2	132.2695	0.182	2	131.4604	0.535	33	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,8|C<3>}	133.5543	0.652	3	133.5543	0.425	3	133.5543	0.425	3	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[5a,6a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[5a,6a]C[6a]N[5a]){1|H<1>,1|O<1>,1|O<2>,3|C<3>,3|C<4>}	134.5780	0.421	2	134.1645	0.751	4	134.1645	0.751	4	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[5a,6a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[5a,6a]C[6a]N[5a]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,1|S<4>,3|C<3>}	132.9170	0.000	1	134.1645	0.751	4	134.1645	0.751	4	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[5a,6a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[5a,6a]C[6a]N[5a]){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	134.5850	0.000	1	134.1645	0.751	4	134.1645	0.751	4	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5,6a]C[5a])(C[5,6a]C[5,6a]C[5])	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5,6a]C[5a])(C[5,6a]C[5,6a]C[5]){1|H<1>,8|C<3>}	131.0820	0.000	1	131.0820	0.000	1	133.7260	1.939	26	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5,6a]C[5,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5,6a]C[5,6a]2){2|H<1>,7|C<3>}	133.9540	0.474	2	133.9540	0.224	2	133.7260	1.939	26	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5,6a]N[5a])(C[5,6a]C[5,6a]C[5])	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5,6a]N[5a])(C[5,6a]C[5,6a]C[5]){1|H<1>,3|C<4>,6|C<3>}	135.6990	0.000	1	135.6990	0.000	1	133.7260	1.939	26	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5]){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	135.1420	0.000	1	133.8857	0.931	14	133.7260	1.939	26	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5]){1|H<1>,1|O<1>,2|C<4>,2|N<3>,3|C<3>}	133.9462	1.312	4	133.8857	0.931	14	133.7260	1.939	26	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5]){2|N<3>,4|C<3>,4|H<1>}	133.8820	0.000	1	133.8857	0.931	14	133.7260	1.939	26	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5]){1|C<4>,1|O<2>,2|H<1>,2|N<3>,4|C<3>}	132.3600	0.000	1	133.8857	0.931	14	133.7260	1.939	26	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5]){1|C<4>,2|N<3>,3|H<1>,4|C<3>}	133.1903	0.465	3	133.8857	0.931	14	133.7260	1.939	26	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5]){1|C<4>,3|H<1>,6|C<3>}	134.3590	0.000	1	133.8857	0.931	14	133.7260	1.939	26	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5]){1|C<4>,1|H<1>,1|O<1>,2|N<3>,4|C<3>}	134.4800	0.000	1	133.8857	0.931	14	133.7260	1.939	26	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5]){1|O<1>,2|H<1>,2|N<3>,4|C<3>}	134.4105	0.088	2	133.8857	0.931	14	133.7260	1.939	26	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[5,6a]C[5,6a]C[5])	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[5,6a]C[5,6a]C[5]){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	134.2710	0.000	1	134.2710	0.000	1	133.7260	1.939	26	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[5,6a]C[5,6a]C[5])	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Pt<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[5,6a]C[5,6a]C[5]){1|Pt<4>,1|H<1>,1|O<1>,2|N<3>,4|C<3>}	133.3540	1.076	3	133.3540	1.157	3	133.7260	1.939	26	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5,6a]O[5a])(C[5,6a]C[5,6a]C[5])	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5,6a]O[5a])(C[5,6a]C[5,6a]C[5]){1|H<1>,2|C<4>,6|C<3>}	137.3460	0.000	1	137.3460	0.000	1	133.7260	1.939	26	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5,6a]S[5a])(C[5,6a]C[5,6a]C[5])	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5,6a]S[5a])(C[5,6a]C[5,6a]C[5]){1|H<1>,2|C<4>,6|C<3>}	132.0200	0.307	2	132.0200	0.094	2	133.7260	1.939	26	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]C[5])	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]C[5]){1|H<1>,2|C<4>,6|C<3>}	132.0690	0.000	1	132.0690	0.000	1	133.7260	1.939	26	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){1|H<1>,2|O<1>,6|C<3>}	131.8136	0.685	9	131.8136	0.469	9	133.5385	5.822	79	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]O[5a])(C[5a,6a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]O[5a])(C[5a,6a]C[5a]C[6a]){2|H<1>,6|C<3>}	132.6160	0.000	1	132.6160	0.000	1	133.5385	5.822	79	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){2|Cl<1>,1|C<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a]){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	131.7390	0.000	1	131.7390	0.000	1	133.5385	5.822	79	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a]){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	134.5430	0.091	2	134.5430	0.008	2	133.5385	5.822	79	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5,6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5,6a]N[5a]){1|H<1>,2|C<4>,6|C<3>}	136.7590	0.151	2	136.7590	0.023	2	133.5385	5.822	79	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2){1|C<4>,1|H<1>,1|S<2>,6|C<3>}	135.6385	0.532	2	135.6385	0.284	2	133.5385	5.822	79	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a]N[5a]){1|H<1>,2|C<4>,6|C<3>}	136.9040	0.000	1	135.7520	2.654	2	133.5385	5.822	79	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a]N[5a]){4|H<1>,5|C<3>}	134.6000	0.000	1	135.7520	2.654	2	133.5385	5.822	79	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]N[5a]N[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]N[5a]N[6a]){1|H<1>,2|C<4>,5|C<3>}	136.4290	0.000	1	136.4290	0.000	1	133.5385	5.822	79	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])2{1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,3|C<3>}	133.7790	0.361	2	134.2045	0.113	10	133.5385	5.822	79	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])2{1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|S<2>,3|C<3>}	134.1422	0.203	4	134.2045	0.113	10	133.5385	5.822	79	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])2{1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|S<2>,3|C<3>}	134.5025	0.214	2	134.2045	0.113	10	133.5385	5.822	79	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])2{1|N<2>,1|N<3>,1|S<2>,2|H<1>,3|C<3>}	134.4565	0.177	2	134.2045	0.113	10	133.5385	5.822	79	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]O[5a])(C[5a,6a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]O[5a])(C[5a,6a]C[6a]N[5a]){3|H<1>,5|C<3>}	134.1030	0.000	1	134.1030	0.000	1	133.5385	5.822	79	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|S<2>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[6a]N[5a]){1|S<4>,2|H<1>,5|C<3>}	132.5850	0.000	1	132.5850	0.000	1	133.5385	5.822	79	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[5a,6a]C[5a,6a]2){1|C<4>,1|H<1>,1|S<2>,6|C<3>}	136.2090	0.582	4	136.2090	0.339	4	133.5385	5.822	79	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	135.3442	0.179	4	135.6506	0.249	8	133.5385	5.822	79	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	135.9570	0.548	4	135.6506	0.249	8	133.5385	5.822	79	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	135.7200	0.127	2	135.7512	0.299	4	133.5385	5.822	79	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2){1|C<4>,1|H<1>,2|N<3>,5|C<3>}	135.7825	0.937	2	135.7512	0.299	4	133.5385	5.822	79	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])2{1|H<1>,1|N<3>,2|C<4>,5|C<3>}	136.2955	0.592	2	135.9152	0.461	5	133.5385	5.822	79	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])2{1|H<1>,2|C<4>,6|C<3>}	135.6617	0.711	3	135.9152	0.461	5	133.5385	5.822	79	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a,6a]C[5a,6a]2){1|N<3>,2|H<1>,5|C<3>}	136.0305	0.694	2	136.0305	0.481	2	133.5385	5.822	79	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[5a])(C[5a,6a]C[6a]O[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[5a])(C[5a,6a]C[6a]O[5a]){2|H<1>,5|C<3>}	136.2980	0.000	1	136.2980	0.000	1	133.5385	5.822	79	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a]){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	136.5720	0.000	1	136.5720	0.000	1	133.5385	5.822	79	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a]){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	130.5307	0.604	3	130.5307	0.365	3	133.5385	5.822	79	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a]){1|H<1>,2|S<2>,4|C<3>}	129.7540	0.000	1	130.5787	0.544	3	133.5385	5.822	79	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a]){1|C<4>,1|H<1>,1|S<2>,5|C<3>}	130.9910	0.262	2	130.5787	0.544	3	133.5385	5.822	79	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5,6a]S[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5,6a]S[5a]){1|H<1>,6|C<3>}	130.3440	0.000	1	130.3440	0.000	1	133.5385	5.822	79	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2){1|H<1>,1|N<3>,1|S<2>,5|C<3>}	130.5600	0.140	2	130.5600	0.020	2	133.5385	5.822	79	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]S[5a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]S[5a])(C[5a,6a]C[5a,6a]2){1|H<1>,1|N<3>,6|C<3>}	130.4834	0.799	11	130.4834	0.638	11	133.5385	5.822	79	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2){1|S<2>,2|H<1>,5|C<3>}	130.3295	0.070	2	130.3295	0.005	2	133.5385	5.822	79	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6]){1|N<3>,2|C<4>,2|H<1>,5|C<3>}	136.3990	0.000	1	136.7735	0.311	11	136.1267	1.020	18	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6]){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	135.5910	0.000	1	136.7735	0.311	11	136.1267	1.020	18	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6]){1|N<2>,2|H<1>,3|C<3>,4|C<4>}	136.8770	0.000	1	136.7735	0.311	11	136.1267	1.020	18	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6]){1|N<3>,2|H<1>,3|C<3>,4|C<4>}	137.0883	0.226	7	136.7735	0.311	11	136.1267	1.020	18	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6]){2|H<1>,7|C<3>}	136.0230	0.000	1	136.7735	0.311	11	136.1267	1.020	18	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]N[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]N[6]){3|C<3>,3|C<4>,3|H<1>}	135.4010	0.000	1	134.7943	0.330	3	136.1267	1.020	18	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]N[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]N[6]){1|C<4>,2|H<1>,6|C<3>}	134.4910	0.330	2	134.7943	0.330	3	136.1267	1.020	18	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6,6a]C[6,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6,6a]C[6,6a]2){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	134.9310	0.539	2	135.3473	0.402	4	136.1267	1.020	18	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6,6a]C[6,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6,6a]C[6,6a]2){1|C<4>,2|H<1>,5|C<3>}	135.7635	0.473	2	135.3473	0.402	4	136.1267	1.020	18	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a]){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	136.1530	0.423	2	136.1530	0.179	2	134.3893	4.079	28	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|N<3>,3|H<1>,5|C<3>}	135.8250	0.182	2	135.8250	0.033	2	134.3893	4.079	28	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a]){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	134.8622	0.316	12	134.8622	0.100	12	134.3893	4.079	28	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|S<4>,7|C<3>}	134.2800	0.000	1	134.2800	0.000	1	134.3893	4.079	28	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,2|H<1>,6|C<3>}	136.1420	0.000	1	136.1420	0.000	1	134.3893	4.079	28	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2){1|C<4>,2|H<1>,6|C<3>}	134.8690	0.757	2	134.8690	0.572	2	134.3893	4.079	28	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[3x6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[3x6a]C[6a]){2|H<1>,6|C<3>}	139.6500	0.000	1	139.6500	0.000	1	134.3893	4.079	28	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a]){2|H<1>,6|C<3>}	131.6540	0.000	1	131.6540	0.000	1	134.3893	4.079	28	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a]){1|S<2>,2|H<1>,5|C<3>}	132.9950	0.526	2	132.9950	0.277	2	134.3893	4.079	28	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]N[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]N[6a]){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	130.5765	0.279	2	130.5765	0.078	2	134.3893	4.079	28	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a,6a]C[6a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	131.2850	0.000	1	130.9950	0.168	2	134.3893	4.079	28	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a,6a]C[6a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a,6a]C[6a,6a]2){2|H<1>,6|C<3>}	130.7050	0.000	1	130.9950	0.168	2	134.3893	4.079	28	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5,6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5,6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5,6a]C)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	133.3030	0.000	1	133.3030	0.000	1	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5,6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5,6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5,6a]H)(H){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	133.7410	0.000	1	133.7410	0.000	1	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a,6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	129.9882	0.160	4	132.8656	2.459	27	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a,6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	133.4195	1.117	20	132.8656	2.459	27	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a,6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	133.0090	0.639	3	132.8656	2.459	27	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[5a,6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[5a,6a]C)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	133.7120	0.000	1	134.9555	3.093	2	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[5a,6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[5a,6a]C)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	136.1990	0.000	1	134.9555	3.093	2	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5,6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a,6a]H)(H){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5,6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	133.7690	0.000	1	133.7690	0.000	1	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a,6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	134.7360	0.000	1	134.7360	0.000	1	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a,6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a,6a]C)(H){1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	128.4493	0.216	6	128.4493	0.046	6	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a,6a]H)(H){1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	128.3770	0.380	2	128.3770	0.145	2	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|O<1>,7|C<3>}	132.0980	0.000	1	132.0980	0.000	1	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|O<1>,5|C<3>}	132.5538	0.431	8	132.5538	0.186	8	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H){1|C<2>,2|H<1>,4|C<3>}	131.9800	0.000	1	131.8127	1.599	3	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H){2|H<1>,5|C<3>}	131.7290	1.776	2	131.8127	1.599	3	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C){1|C<2>,1|H<1>,1|O<1>,4|C<3>}	131.9690	0.000	1	131.9690	0.000	1	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a,6a]H){1|H<1>,1|O<1>,5|C<3>}	131.3420	0.000	1	131.3420	0.000	1	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a]){1|H<1>,8|C<3>}	134.0130	0.000	2	134.0130	0.000	2	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]O[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]O[6a]){1|H<1>,7|C<3>}	134.3410	0.000	1	134.3410	0.000	1	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]O[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]O[6a]H){1|C<4>,1|H<1>,4|C<3>}	132.3035	0.392	2	132.3035	0.154	2	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5,6a]C[5a])(C[6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5,6a]C[5a])(C[6a]C[6a,6a]C[6a]){1|C<2>,1|C<4>,1|H<1>,6|C<3>}	132.5690	0.000	1	132.5690	0.000	1	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6,6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6,6a]C)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	130.5470	0.000	1	133.7638	2.045	8	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6,6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6,6a]C)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	134.6130	0.000	1	133.7638	2.045	8	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6,6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6,6a]C)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	134.5220	0.830	2	133.7638	2.045	8	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6,6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6,6a]C)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	134.4960	0.065	2	133.7638	2.045	8	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6,6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6,6a]C)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	133.7210	0.000	1	133.7638	2.045	8	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6,6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6,6a]C)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	133.1930	0.000	1	133.7638	2.045	8	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6,6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	134.0450	0.156	2	133.9902	0.291	6	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6,6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	133.7540	0.939	2	133.9902	0.291	6	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6,6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	134.1715	0.603	2	133.9902	0.291	6	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	131.6660	0.478	2	133.4172	3.179	19	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	133.3150	0.000	1	133.4172	3.179	19	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|F<1>,1|S<4>,2|H<1>,3|C<3>}	131.1060	0.000	1	133.4172	3.179	19	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	131.2240	0.421	2	133.4172	3.179	19	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	130.1800	0.000	1	133.4172	3.179	19	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	133.0523	0.208	3	133.4172	3.179	19	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H){2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	135.0431	0.346	9	133.4172	3.179	19	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]N)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]N)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	130.0360	0.000	1	130.0360	0.000	1	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]O)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	132.5725	0.361	2	132.5725	0.131	2	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	134.8785	0.015	2	134.8785	0.000	2	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	134.1150	0.161	3	134.1150	0.026	3	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H){1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	127.0870	0.123	2	127.0870	0.015	2	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5,5]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5,5]C[6a])(H){1|H<1>,1|N<3>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	133.9830	0.000	1	134.1017	0.030	3	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5,5]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5,5]C[6a])(H){1|H<1>,1|N<3>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	134.1610	0.198	2	134.1017	0.030	3	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a]C[6a])(H){1|H<1>,1|N<3>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	134.0575	1.053	2	133.7002	0.260	20	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a]C[6a])(H){1|H<1>,1|N<3>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	133.5405	0.196	2	133.7002	0.260	20	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a]C[6a])(H){1|H<1>,2|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	133.3300	0.000	1	133.7002	0.260	20	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a]C[6a])(H){1|N<2>,1|N<3>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	133.5427	0.464	6	133.7002	0.260	20	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a]C[6a])(H){1|H<1>,1|N<2>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	134.0060	0.000	1	133.7002	0.260	20	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a]C[6a])(H){1|H<1>,1|N<3>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	133.6740	0.412	5	133.7002	0.260	20	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a]C[6a])(H){1|H<1>,1|N<3>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	134.2365	0.812	2	133.7002	0.260	20	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a]C[6a])(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	133.3720	0.000	1	133.7002	0.260	20	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	133.8700	0.000	1	133.8700	0.000	1	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	131.8160	0.000	1	133.7031	0.708	80	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	133.7728	2.301	4	133.7031	0.708	80	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	133.6620	0.739	3	133.7031	0.708	80	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	133.1300	0.000	1	133.7031	0.708	80	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	133.9957	0.265	11	133.7031	0.708	80	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	134.1680	0.383	4	133.7031	0.708	80	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Fe<5>,1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Fe<5>,1|H<1>,5|C<3>}	133.0008	1.053	4	133.7031	0.708	80	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	133.2943	0.744	3	133.7031	0.708	80	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	133.2801	0.585	7	133.7031	0.708	80	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	133.6973	0.307	6	133.7031	0.708	80	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	133.8213	0.772	36	133.7031	0.708	80	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]B[5])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|B<3>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]B[5])(H){1|H<1>,1|N<3>,2|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){2|C<4>,2|H<1>,3|C<3>}	134.8280	0.000	1	134.8280	0.000	1	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]B[5])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|B<3>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]B[5])(H){1|H<1>,1|N<3>,2|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|B<3>,2|H<1>,4|C<3>}	134.1420	0.511	2	134.1420	0.261	2	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,1|S<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|S<4>,3|C<3>,3|H<1>}	133.2410	0.000	1	134.1298	1.863	5	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<4>,2|H<1>,4|C<3>}	133.0570	0.000	1	134.1298	1.863	5	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){2|C<4>,2|H<1>,3|C<3>}	133.9495	0.234	2	134.1298	1.863	5	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|N<3>,2|H<1>,4|C<3>}	136.4520	0.000	1	134.1298	1.863	5	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H){1|Br<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	133.4090	0.278	3	133.1460	0.838	85	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	133.3691	0.534	32	133.1460	0.838	85	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	133.5227	0.432	7	133.1460	0.838	85	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	133.9513	0.220	4	133.1460	0.838	85	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|Br<1>,1|C<4>,1|H<1>,3|C<3>}	134.4860	0.000	1	133.1460	0.838	85	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	134.3960	0.000	1	133.1460	0.838	85	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|H<1>,3|C<3>}	133.0143	0.393	4	133.1460	0.838	85	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|S<4>,2|H<1>,3|C<3>}	131.9285	0.035	2	133.1460	0.838	85	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	133.1530	0.352	2	133.1460	0.838	85	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,2|H<1>,4|C<3>}	132.8980	0.748	16	133.1460	0.838	85	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	132.2217	1.038	6	133.1460	0.838	85	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,3|C<3>,3|H<1>}	133.8065	0.334	2	133.1460	0.838	85	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	133.7110	0.000	1	133.1460	0.838	85	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	133.9530	0.000	1	133.1460	0.838	85	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|Br<1>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	128.3780	0.000	1	133.1460	0.838	85	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|Br<1>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|Br<1>,1|C<4>,1|H<1>,3|C<3>}	132.2250	1.232	2	133.1460	0.838	85	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C[6a]){2|H<1>,6|C<3>}	133.3100	0.000	1	133.3100	0.000	1	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H){1|C<4>,1|H<1>,4|C<3>}	133.5460	0.000	1	133.5460	0.000	1	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	133.8466	1.190	20	133.7813	1.256	23	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	133.3457	0.189	3	133.7813	1.256	23	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	134.1800	0.000	1	134.2510	0.062	3	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	134.2865	0.342	2	134.2510	0.062	3	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]N)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|S<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]N){1|S<4>,2|H<1>,4|C<3>}	134.0110	0.000	1	134.0110	0.000	1	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){2|H<1>,5|C<3>}	131.6310	0.257	2	131.6310	0.066	2	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H){1|C<4>,2|H<1>,4|C<3>}	131.2870	0.000	1	131.2870	0.000	1	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	134.2620	0.366	4	134.2620	0.134	4	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){2|C<4>,2|H<1>,3|C<3>}	135.3630	0.450	2	135.3630	0.202	2	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	133.8312	0.586	14	133.5561	1.274	341	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	134.4670	0.953	4	133.5561	1.274	341	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	133.6910	0.545	5	133.5561	1.274	341	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	132.1300	0.062	3	133.5561	1.274	341	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	133.5425	0.668	2	133.5561	1.274	341	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,3|C<3>,3|H<1>}	133.7210	0.260	2	133.5561	1.274	341	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	134.2310	0.334	3	133.5561	1.274	341	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	132.8470	0.000	1	133.5561	1.274	341	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	131.4440	0.000	1	133.5561	1.274	341	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,1|S<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	131.9890	0.000	1	133.5561	1.274	341	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	132.3940	0.202	2	133.5561	1.274	341	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	133.9640	0.000	1	133.5561	1.274	341	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	133.2005	0.667	6	133.5561	1.274	341	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	133.8280	0.000	1	133.5561	1.274	341	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|P<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|P<3>,2|H<1>,3|C<3>}	133.8065	0.230	2	133.5561	1.274	341	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|P<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|P<4>,2|H<1>,3|C<3>}	132.1890	0.246	2	133.5561	1.274	341	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	133.5080	0.497	6	133.5561	1.274	341	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	133.3180	0.571	4	133.5561	1.274	341	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	133.4555	0.364	2	133.5561	1.274	341	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	133.6774	0.979	86	133.5561	1.274	341	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	133.8796	0.645	38	133.5561	1.274	341	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	134.0370	0.000	1	133.5561	1.274	341	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	133.9690	0.000	1	133.5561	1.274	341	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	134.4190	0.485	2	133.5561	1.274	341	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	135.2050	0.000	1	133.5561	1.274	341	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	134.2200	0.000	1	133.5561	1.274	341	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|Ru<6>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	134.3170	0.000	1	133.5561	1.274	341	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,3|C<3>,3|H<1>}	134.1120	0.000	1	133.5561	1.274	341	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	133.2620	0.000	1	133.5561	1.274	341	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	133.9050	0.000	1	133.5561	1.274	341	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	133.9960	0.127	2	133.5561	1.274	341	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	133.9850	0.000	1	133.5561	1.274	341	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cu<5>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cu<5>,1|C<4>,2|H<1>,3|C<3>}	133.9860	0.468	2	133.5561	1.274	341	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Fe<4>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Fe<4>,1|H<1>,2|C<4>,3|C<3>}	132.7550	0.586	16	133.5561	1.274	341	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Ga<3>,1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Ga<3>,1|C<4>,1|H<1>,4|C<3>}	133.7670	0.803	2	133.5561	1.274	341	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	132.1796	0.465	8	133.5561	1.274	341	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	132.0240	0.000	1	133.5561	1.274	341	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Li<3>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Li<3>,1|H<1>,2|C<4>,3|C<3>}	133.4835	0.148	2	133.5561	1.274	341	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Ni<4>,1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Ni<4>,1|C<4>,1|H<1>,1|N<3>,3|C<3>}	134.6270	0.202	2	133.5561	1.274	341	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Ni<4>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Ni<4>,1|H<1>,2|C<4>,3|C<3>}	132.1847	0.810	6	133.5561	1.274	341	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	134.4860	0.000	1	133.5561	1.274	341	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	134.4850	0.000	1	133.5561	1.274	341	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Pd<4>,1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Pd<4>,1|C<4>,1|H<1>,4|C<3>}	133.7293	0.420	4	133.5561	1.274	341	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Pd<4>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Pd<4>,1|H<1>,2|C<4>,3|C<3>}	132.0900	0.215	2	133.5561	1.274	341	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Pt<4>,1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Pt<4>,1|C<4>,1|H<1>,4|C<3>}	136.0068	1.305	4	133.5561	1.274	341	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	131.6160	0.000	1	133.5561	1.274	341	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	132.9200	0.000	1	133.5561	1.274	341	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Si<4>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Si<4>,1|C<4>,2|H<1>,3|C<3>}	132.4070	0.334	2	133.5561	1.274	341	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Ti<6>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Ti<6>,1|H<1>,2|C<4>,3|C<3>}	130.0155	0.805	4	133.5561	1.274	341	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Zn<2>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Zn<2>,1|H<1>,2|C<4>,3|C<3>}	130.9334	0.549	8	133.5561	1.274	341	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,1|H<1>,2|C<4>,3|C<3>}	133.3620	0.579	3	133.5561	1.274	341	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	134.4010	0.000	1	133.5561	1.274	341	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	133.7218	0.443	12	133.5561	1.274	341	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	133.3420	0.000	1	133.5561	1.274	341	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	133.3599	1.218	8	133.5561	1.274	341	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	133.8140	0.000	1	133.5561	1.274	341	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	133.1705	0.267	4	133.5561	1.274	341	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	134.2590	0.000	1	133.5561	1.274	341	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	134.4150	0.000	1	133.5561	1.274	341	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	134.6760	0.481	3	133.5561	1.274	341	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	134.3329	0.938	36	133.5561	1.274	341	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	135.1320	0.000	1	133.5561	1.274	341	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	134.4033	0.118	3	133.5561	1.274	341	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){3|C<3>,4|H<1>}	134.0490	0.000	1	134.0490	0.000	1	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C[5])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C[5])(H){1|H<1>,1|N<3>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	133.8755	0.285	2	133.8755	0.081	2	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C[6])(H){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	133.6000	0.246	2	133.8000	0.203	11	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C[6])(H){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	133.6165	0.539	4	133.8000	0.203	11	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C[6])(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	133.8850	0.000	1	133.8000	0.203	11	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C[6])(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	134.0623	0.445	4	133.8000	0.203	11	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	132.8990	0.000	1	133.1740	0.151	2	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){1|N<3>,3|C<3>,3|H<1>}	133.4490	0.000	1	133.1740	0.151	2	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	133.1370	0.205	2	133.4264	0.504	17	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,2|H<1>,3|C<3>}	133.9135	0.295	4	133.4264	0.504	17	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,2|H<1>,4|C<3>}	132.8940	0.461	8	133.4264	0.504	17	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	134.3897	0.230	3	133.4264	0.504	17	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|F<1>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	131.9770	0.000	1	131.9770	0.000	1	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]O[6a])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|F<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]F)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]O[6a])(C[6a]C[6a,6a]H){1|H<1>,4|C<3>}	134.2110	0.000	1	134.2110	0.000	1	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[4,6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[4,6a]N[5a])(C[6a]C[6a]C){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	135.4910	0.000	1	135.4910	0.000	1	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5,6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	133.3800	0.000	1	133.3800	0.000	1	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5,6a]N[5a])(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5,6a]N[5a])(C[6a]C[6a]O){1|C<4>,2|H<1>,4|C<3>}	133.4160	0.000	1	133.4160	0.000	1	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|H<1>,7|C<3>}	134.7750	0.000	1	134.9300	0.048	2	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	135.0850	0.000	1	134.9300	0.048	2	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	134.5140	0.000	1	133.8748	0.560	6	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	133.4287	0.308	4	133.8748	0.560	6	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	135.0200	0.000	1	133.8748	0.560	6	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C){1|C<4>,1|H<1>,4|C<3>}	135.4110	0.000	1	135.4110	0.000	1	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]2){1|S<2>,2|H<1>,6|C<3>}	134.9863	0.304	3	134.9863	0.092	3	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	133.9360	0.000	1	133.9305	0.394	8	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	132.4570	0.000	1	133.9305	0.394	8	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	133.9470	0.000	1	133.9305	0.394	8	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	134.3690	0.000	1	133.9305	0.394	8	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	134.1420	0.000	1	133.9305	0.394	8	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	133.9160	0.000	1	133.9305	0.394	8	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	134.4320	0.000	1	133.9305	0.394	8	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	134.2450	0.000	1	133.9305	0.394	8	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,7|C<3>}	136.4730	0.000	1	136.4730	0.000	1	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|H<1>,7|C<3>}	135.0070	0.000	1	135.1906	3.092	5	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2){1|C<2>,2|H<1>,6|C<3>}	136.2065	0.576	2	135.1906	3.092	5	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	134.2665	2.869	2	135.1906	3.092	5	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C){1|H<1>,1|S<4>,5|C<3>}	133.6720	0.000	1	134.5185	1.433	2	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C){1|C<4>,1|H<1>,5|C<3>}	135.3650	0.000	1	134.5185	1.433	2	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	133.5140	0.000	1	134.1737	0.403	23	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	133.7635	0.336	2	134.1737	0.403	23	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	132.7620	0.000	1	134.1737	0.403	23	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	133.5945	0.407	2	134.1737	0.403	23	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	133.8670	0.187	2	134.1737	0.403	23	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	134.6130	0.000	1	134.1737	0.403	23	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	134.6078	0.328	12	134.1737	0.403	23	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	134.3210	0.000	1	134.1737	0.403	23	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	133.0420	0.000	1	134.1737	0.403	23	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]N)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]N){1|S<4>,2|H<1>,4|C<3>}	133.6530	0.000	1	133.6530	0.000	1	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]O){1|C<4>,1|H<1>,5|C<3>}	134.3735	0.541	2	134.3735	0.293	2	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]Cl)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]Cl){2|H<1>,4|C<3>}	135.3960	0.000	1	135.3960	0.000	1	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]H){2|H<1>,4|C<3>}	135.0495	0.202	2	135.0495	0.041	2	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]N[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]N[6]){2|C<4>,2|H<1>,4|C<3>}	135.7300	0.000	1	135.7300	0.000	1	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]O){1|C<4>,2|H<1>,4|C<3>}	135.2630	0.000	1	134.8260	0.203	4	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]O){3|H<1>,4|C<3>}	134.6803	0.420	3	134.8260	0.203	4	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	134.1470	0.000	1	134.1470	0.000	1	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C){1|S<4>,2|H<1>,4|C<3>}	133.6340	0.074	2	134.2795	0.258	6	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C){1|C<2>,2|H<1>,4|C<3>}	134.5120	0.014	2	134.2795	0.258	6	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C){2|H<1>,5|C<3>}	134.6925	0.016	2	134.2795	0.258	6	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	135.0670	0.000	1	133.7950	0.800	4	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[6a]){1|S<4>,2|H<1>,6|C<3>}	133.3710	0.347	3	133.7950	0.800	4	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	133.6610	0.269	2	133.3519	0.421	11	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){1|S<4>,2|H<1>,4|C<3>}	132.1985	0.166	2	133.3519	0.421	11	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){1|N<3>,3|C<3>,3|H<1>}	133.8120	0.000	1	133.3519	0.421	11	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){3|H<1>,4|C<3>}	133.8990	0.000	1	133.3519	0.421	11	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){1|N<3>,2|H<1>,4|C<3>}	133.3283	0.480	3	133.3519	0.421	11	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){1|O<2>,2|H<1>,4|C<3>}	133.7280	0.010	2	133.3519	0.421	11	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]O){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	134.0070	0.000	1	133.9910	0.001	2	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]O){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	133.9750	0.000	1	133.9910	0.001	2	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	132.5700	0.000	1	133.8557	0.453	7	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	134.0195	0.805	2	133.8557	0.453	7	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H){1|C<4>,3|C<3>,3|H<1>}	134.0940	0.291	2	133.8557	0.453	7	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H){2|C<4>,2|H<1>,3|C<3>}	133.9370	0.000	1	133.8557	0.453	7	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H){1|C<4>,2|H<1>,4|C<3>}	134.2560	0.000	1	133.8557	0.453	7	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]C){1|C<4>,2|H<1>,4|C<3>}	135.9560	0.000	1	135.9560	0.000	1	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|Br<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H){1|C<4>,2|H<1>,4|C<3>}	134.1690	0.000	1	133.3145	1.344	11	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H){1|S<4>,2|H<1>,4|C<3>}	132.2040	0.431	4	133.3145	1.344	11	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H){3|H<1>,4|C<3>}	133.9123	1.007	6	133.3145	1.344	11	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|I<1>,6|C<3>}	135.0995	0.466	2	134.8765	0.762	22	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	135.3750	0.000	1	134.8765	0.762	22	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|I<1>,2|H<1>,5|C<3>}	135.5773	0.863	3	134.8765	0.762	22	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	134.9067	0.478	4	134.8765	0.762	22	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	135.1130	0.537	2	134.8765	0.762	22	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){2|C<4>,2|H<1>,5|C<3>}	134.5250	0.000	1	134.8765	0.762	22	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){1|N<2>,1|N<3>,2|H<1>,5|C<3>}	132.8980	0.000	1	134.8765	0.762	22	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	133.2050	0.402	2	134.8765	0.762	22	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){1|O<2>,3|H<1>,5|C<3>}	135.1120	0.074	2	134.8765	0.762	22	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	135.2670	0.537	4	134.8765	0.762	22	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	133.8520	0.000	1	133.8520	0.000	1	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	134.5810	0.000	1	134.9064	0.761	22	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|S<4>,2|H<1>,4|C<3>}	133.3950	0.267	3	134.9064	0.761	22	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|S<4>,3|C<3>,3|H<1>}	133.2860	0.000	1	134.9064	0.761	22	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){3|H<1>,4|C<3>}	134.2910	0.000	1	134.9064	0.761	22	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){2|C<4>,2|H<1>,3|C<3>}	135.2820	0.000	1	134.9064	0.761	22	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){3|H<1>,4|C<3>}	135.6230	0.779	2	134.9064	0.761	22	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	135.4323	0.518	3	134.9064	0.761	22	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<4>,2|H<1>,4|C<3>}	135.4677	0.387	4	134.9064	0.761	22	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<4>,3|C<3>,3|H<1>}	135.0745	0.008	2	134.9064	0.761	22	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|H<1>,3|C<3>,3|C<4>}	135.3840	0.310	3	134.9064	0.761	22	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){2|C<4>,2|H<1>,3|C<3>}	134.6010	0.000	1	134.9064	0.761	22	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|B<3>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	133.6000	0.000	1	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|B<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|B<3>,3|C<3>,3|H<1>}	131.2020	0.163	2	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	132.7410	0.304	2	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|B<6>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|B<6>,3|C<3>,3|H<1>}	131.6867	0.949	4	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,3|C<3>,3|H<1>}	133.6005	0.182	4	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|I<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	132.3720	0.000	1	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|Br<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	133.9900	0.303	3	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|C<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	133.6880	0.000	1	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	134.2470	0.000	1	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|B<3>,1|C<4>,2|H<1>,3|C<3>}	133.7050	0.000	1	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	133.9680	0.589	4	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	133.9866	0.285	5	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	134.4005	0.163	2	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	135.0126	1.115	5	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|I<1>,2|H<1>,3|C<3>}	133.8980	0.000	1	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	134.3310	0.774	7	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	134.0952	0.470	4	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	134.0783	0.637	70	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	133.9212	0.592	179	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	133.1550	0.000	1	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	133.1540	0.263	3	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Si<4>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	133.6820	0.000	1	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Si<4>,1|C<4>,2|H<1>,3|C<3>}	134.1155	0.348	8	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	134.1052	0.650	13	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	134.0140	0.000	1	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	134.5450	0.000	1	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	134.3156	0.166	5	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|Si<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	134.4980	0.069	2	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	134.3525	0.054	2	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cu<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cu<3>,3|C<3>,3|H<1>}	133.7170	0.373	2	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cu<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cu<4>,3|C<3>,3|H<1>}	134.9230	0.614	2	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Fe<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Fe<4>,3|C<3>,3|H<1>}	134.1925	0.466	2	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	133.6460	0.206	2	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|Br<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	134.4005	1.065	8	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	132.8555	0.758	6	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	133.8800	0.499	8	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	134.9730	0.000	1	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	133.6630	0.341	4	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	134.7697	0.243	3	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|P<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|P<3>,3|C<3>,3|H<1>}	132.8996	0.448	10	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|P<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|P<4>,3|C<3>,3|H<1>}	132.2457	0.493	26	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Pd<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	133.5465	1.328	4	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Pd<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	132.9280	0.890	4	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Pd<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Pd<4>,3|C<3>,3|H<1>}	134.6705	0.779	4	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Pt<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	132.7256	0.459	5	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	131.6920	0.000	1	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|N<2>,1|S<4>,2|C<3>,2|H<1>}	132.6390	0.000	1	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,1|S<4>,3|C<3>}	131.7170	0.000	1	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	131.9430	0.096	2	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	132.3776	0.264	10	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|S<4>,2|H<1>,3|C<3>}	132.7045	0.187	2	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Si<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Si<4>,3|C<3>,3|H<1>}	132.9422	0.712	6	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	132.6590	0.370	4	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	132.8040	0.110	2	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	132.9060	0.000	1	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	132.2760	0.014	2	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|C<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	134.1095	0.356	2	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,3|C<3>,3|H<1>}	134.1177	0.235	3	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	134.2490	0.000	1	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,3|C<3>,3|H<1>}	133.9400	0.000	1	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,3|C<3>,3|H<1>}	133.8880	0.103	3	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	133.7885	0.043	2	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	134.5167	0.558	3	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	133.6910	0.000	1	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	134.0390	0.225	2	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|C<3>,3|H<1>}	133.2405	0.269	2	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	134.2650	0.143	2	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	134.5170	0.000	1	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	134.0832	0.278	12	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	133.9079	0.613	8	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	134.0160	0.167	2	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	134.2890	0.441	2	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	134.3110	0.243	2	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	134.0489	0.341	11	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	133.7996	0.334	8	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	134.9660	0.000	1	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	134.6290	0.000	1	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	134.6948	0.688	5	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	134.3340	0.551	3	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	133.9220	0.000	1	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|C<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	134.0860	0.000	1	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,2|H<1>,4|C<3>}	132.4192	1.372	5	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	133.7650	0.300	2	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	131.2270	0.000	1	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	133.8447	0.575	3	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	134.5260	0.000	1	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	133.2340	0.000	1	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Pd<4>,2|H<1>,4|C<3>}	132.7082	0.827	8	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Pt<4>,2|H<1>,4|C<3>}	132.8980	0.783	5	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	132.7120	0.000	1	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	133.7634	0.542	18	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	133.3560	0.000	1	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	133.5197	0.768	836	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,2|H<1>,4|C<3>}	131.8670	0.000	1	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	133.3560	0.000	1	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	132.4367	0.606	10	133.5937	0.673	1431	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N){1|C<4>,2|H<1>,4|C<3>}	134.9820	0.000	1	135.0412	0.293	6	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N){1|C<2>,1|S<4>,2|H<1>,3|C<3>}	134.0150	0.000	1	135.0412	0.293	6	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	135.3125	0.196	4	135.0412	0.293	6	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|C<2>,1|C<4>,1|H<1>,4|C<3>}	134.0470	0.000	1	133.6138	0.724	24	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|C<2>,1|H<1>,2|C<4>,3|C<3>}	134.0210	0.000	1	133.6138	0.724	24	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|C<4>,1|H<1>,5|C<3>}	134.3150	0.000	1	133.6138	0.724	24	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	132.6343	0.223	3	133.6138	0.724	24	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|S<4>,2|H<1>,4|C<3>}	132.7975	0.382	8	133.6138	0.724	24	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|C<2>,2|H<1>,4|C<3>}	134.3456	0.121	5	133.6138	0.724	24	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	134.4280	0.000	1	133.6138	0.724	24	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){3|C<3>,4|H<1>}	134.4770	0.176	4	133.6138	0.724	24	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Si)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Si<4>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Si){1|Si<4>,1|B<3>,1|C<4>,1|H<1>,3|C<3>}	135.6665	0.272	2	135.6665	0.074	2	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[5a,6a]C){2|H<1>,5|C<3>}	135.1260	0.000	1	135.1260	0.000	1	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]C){1|C<4>,2|H<1>,3|C<3>}	135.4900	0.000	1	135.2640	0.082	3	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]C){1|C<4>,2|H<1>,3|C<3>}	135.3600	0.000	1	135.2640	0.082	3	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]C){1|H<1>,2|C<4>,3|C<3>}	134.9420	0.000	1	135.2640	0.082	3	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|S<4>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]H){1|S<4>,2|H<1>,3|C<3>}	133.6450	0.000	1	134.1733	0.237	3	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]H){3|C<3>,3|H<1>}	134.6040	0.000	1	134.1733	0.237	3	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]H){1|H<1>,1|N<2>,4|C<3>}	134.2710	0.000	1	134.1733	0.237	3	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]O){2|H<1>,5|C<3>}	135.1930	0.000	1	135.1930	0.000	1	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	133.8980	0.000	1	133.8980	0.000	1	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C){1|C<4>,1|H<1>,4|C<3>}	134.6490	0.287	2	134.6490	0.082	2	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C[6a]){2|H<1>,6|C<3>}	134.3395	0.218	2	134.3395	0.048	2	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|N<3>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[5a]C[6a]){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	135.3090	0.000	1	135.3090	0.000	1	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|S<4>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]H){1|H<1>,1|S<4>,4|C<3>}	132.4710	0.000	1	132.4710	0.000	1	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	134.5050	0.000	1	135.8264	2.778	5	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]C[6a]){2|H<1>,6|C<3>}	136.1567	1.725	4	135.8264	2.778	5	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H){1|C<4>,1|H<1>,4|C<3>}	133.8980	0.000	1	134.1570	0.149	3	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H){1|H<1>,5|C<3>}	133.9720	0.000	1	134.1570	0.149	3	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H){1|C<4>,1|H<1>,4|C<3>}	134.6010	0.000	1	134.1570	0.149	3	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,6|C<3>}	135.2370	0.000	1	134.6362	0.807	5	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2){1|S<4>,2|H<1>,5|C<3>}	133.0790	0.000	1	134.6362	0.807	5	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2){3|H<1>,5|C<3>}	134.9550	0.264	3	134.6362	0.807	5	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C){1|C<4>,2|H<1>,3|C<3>}	134.2970	0.000	1	135.0515	1.139	2	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C){3|C<3>,3|H<1>}	135.8060	0.000	1	135.0515	1.139	2	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|S<4>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>}	132.5200	0.000	1	133.8360	0.510	6	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	133.8865	0.228	2	133.8360	0.510	6	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	134.5800	0.000	1	133.8360	0.510	6	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	134.2920	0.000	1	133.8360	0.510	6	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	133.8510	0.000	1	133.8360	0.510	6	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O){1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	134.1270	0.137	2	134.1270	0.019	2	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|N<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|F<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N){2|H<1>,3|C<3>}	135.9310	0.000	1	135.9310	0.000	1	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]O[6a])(C[6a]C[6a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]O[6a])(C[6a]C[6a,6a]C){1|H<1>,4|C<3>}	134.8800	0.000	1	134.8800	0.000	1	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]O[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]O[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	135.0700	0.000	1	135.0700	0.000	1	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]S[6a])(C[6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]S[6a])(C[6a]C[6a,6a]C[6a]){1|H<1>,6|C<3>}	134.8393	0.119	3	134.8393	0.014	3	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]I)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|I<1>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]I)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	135.5260	0.000	1	134.1007	0.803	6	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]I)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|I<1>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]I)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	134.2190	0.000	1	134.1007	0.803	6	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]I)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cu<4>,1|I<1>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]I)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cu<4>,1|I<1>,2|H<1>,3|C<3>}	134.2965	0.016	2	134.1007	0.803	6	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]I)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cu<5>,1|I<1>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]I)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cu<5>,1|I<1>,2|H<1>,3|C<3>}	133.1330	0.148	2	134.1007	0.803	6	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	133.8219	0.395	7	133.5412	0.379	16	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	133.4900	0.038	2	133.5412	0.379	16	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	133.6750	0.064	2	133.5412	0.379	16	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	132.2020	0.311	2	133.5412	0.379	16	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	133.7243	0.427	3	133.5412	0.379	16	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[5])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[5])(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	133.8220	0.000	1	133.8220	0.000	1	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[5a])(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	133.3815	0.153	2	133.5653	0.867	13	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[5a])(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	133.6105	1.069	10	133.5653	0.867	13	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[5a])(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	133.4810	0.000	1	133.5653	0.867	13	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[6])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[6])(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	134.4570	0.000	1	134.4570	0.000	1	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[6a])(H){1|N<3>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	133.7545	0.323	2	133.7545	0.104	2	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	132.1500	0.000	1	133.0883	0.795	3	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	133.1910	0.000	1	133.0883	0.795	3	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	133.9240	0.000	1	133.0883	0.795	3	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){1|S<4>,2|H<1>,4|C<3>}	131.5550	0.000	1	131.5550	0.000	1	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|I<1>,6|C<3>}	134.3340	0.000	1	134.5373	0.063	3	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	134.6390	0.253	2	134.5373	0.063	3	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,1|S<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	133.6890	0.000	1	134.2070	0.749	3	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|N<2>,3|C<3>,3|H<1>}	133.7260	0.000	1	134.2070	0.749	3	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){3|C<3>,4|H<1>}	135.2060	0.000	1	134.2070	0.749	3	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|I<1>,2|H<1>,3|C<3>}	133.1630	0.000	1	132.8005	1.157	12	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	132.6312	1.329	6	132.8005	1.157	12	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){1|Si<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	132.9730	0.000	1	132.8005	1.157	12	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	133.0810	0.000	1	132.8005	1.157	12	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	133.0010	0.000	1	132.8005	1.157	12	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	134.1130	0.000	1	132.8005	1.157	12	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Si<4>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	131.4880	0.000	1	132.8005	1.157	12	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a]){2|H<1>,5|C<3>}	134.6670	0.000	1	134.6670	0.000	1	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]P)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|P<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]P)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|P<4>,2|H<1>,4|C<3>}	134.0115	0.599	2	134.0115	0.359	2	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Si)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Si<4>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Si)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	134.0649	0.389	8	134.0649	0.151	8	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]C)(H){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	135.1323	0.877	3	135.0893	0.596	7	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]C)(H){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	133.9380	0.000	1	135.0893	0.596	7	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]C)(H){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	135.1370	0.000	1	135.0893	0.596	7	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]C)(H){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	135.5765	0.482	2	135.0893	0.596	7	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|N<2>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]H)(H){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	133.1560	0.000	1	135.1149	0.337	17	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]H)(H){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	135.4283	0.308	3	135.1149	0.337	17	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]H)(H){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	135.2895	0.021	2	135.1149	0.337	17	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]H)(H){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	135.1579	0.322	10	135.1149	0.337	17	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]H)(H){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	135.3550	0.000	1	135.1149	0.337	17	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]O)(H){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	135.1335	0.241	2	136.1142	1.339	4	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]O)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	137.0950	0.332	2	136.1142	1.339	4	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C){1|H<1>,5|C<3>}	136.1870	0.000	1	136.1870	0.000	1	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[6a]O[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[6a]O[6a]O){1|H<1>,4|C<3>}	136.2250	0.000	1	136.2250	0.000	1	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6,6a]H){1|C<4>,2|H<1>,3|C<3>}	135.3980	0.000	1	135.3980	0.000	1	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C){1|H<1>,5|C<3>}	136.0440	0.000	1	136.0440	0.000	1	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	134.2970	0.000	1	134.9565	0.870	2	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	135.6160	0.000	1	134.9565	0.870	2	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]O[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]O[6a]O){2|H<1>,3|C<3>}	136.5490	0.000	1	136.5490	0.000	1	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]O[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]O[5a])(C[6a]C[5a,6a]H){1|H<1>,4|C<3>}	134.8820	0.457	2	134.8820	0.209	2	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]O[5a])(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]O[5a])(C[6a]N[6a]N){1|H<1>,3|C<3>}	137.3530	0.000	1	137.3530	0.000	1	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	134.4780	0.000	1	134.4780	0.000	1	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|F<1>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]F)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	134.8605	0.018	2	134.8605	0.000	2	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]O[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|F<1>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]F)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]O[6a]O){2|H<1>,3|C<3>}	135.9075	0.370	2	135.9075	0.137	2	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	135.1400	0.000	1	135.1400	0.000	1	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	136.0760	0.105	3	136.0760	0.011	3	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[6a]N[6a]H){1|H<1>,4|C<3>}	136.4515	0.580	4	136.4515	0.337	4	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[6a]N[6a]O){1|H<1>,5|C<3>}	136.4390	0.000	1	136.4390	0.000	1	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]C){2|H<1>,4|C<3>}	136.7830	0.109	2	136.7830	0.012	2	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]C[6a]){2|H<1>,6|C<3>}	136.0940	0.000	1	136.0940	0.000	1	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H){1|N<3>,2|H<1>,3|C<3>}	135.6100	0.222	2	135.5152	0.047	4	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H){2|H<1>,4|C<3>}	135.4205	0.237	2	135.5152	0.047	4	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6,6a]H){1|O<2>,2|H<1>,3|C<3>}	135.9280	0.000	1	135.9280	0.000	1	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]C[6a]){2|H<1>,6|C<3>}	137.1680	0.000	1	137.1680	0.000	1	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]2){1|O<2>,2|H<1>,5|C<3>}	136.1790	0.000	1	136.3560	0.063	2	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]2){3|H<1>,5|C<3>}	136.5330	0.000	1	136.3560	0.063	2	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|B<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|P<3>,2|H<1>,3|C<3>}	134.1390	0.000	1	135.0768	1.205	156	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|Bi<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|Bi<3>,2|H<1>,3|C<3>}	135.8780	0.008	2	135.0768	1.205	156	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|Bi<5>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|Bi<5>,2|H<1>,3|C<3>}	134.7105	0.490	2	135.0768	1.205	156	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|Br<1>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	135.7320	0.000	1	135.0768	1.205	156	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	135.5339	0.545	14	135.0768	1.205	156	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|N<4>,2|H<1>,3|C<3>}	135.0355	0.962	2	135.0768	1.205	156	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	133.9091	1.114	10	135.0768	1.205	156	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|Ir<6>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	135.7180	1.166	3	135.0768	1.205	156	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	135.9130	0.000	1	135.0768	1.205	156	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|N<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	134.0150	1.727	2	135.0768	1.205	156	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|N<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|N<4>,2|H<1>,3|C<3>}	135.3350	2.152	10	135.0768	1.205	156	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|P<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|B<3>,2|H<1>,3|C<3>}	135.4360	0.000	1	135.0768	1.205	156	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|P<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|P<3>,2|H<1>,3|C<3>}	134.9698	0.551	6	135.0768	1.205	156	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>}	135.2682	1.080	24	135.0768	1.205	156	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	135.5235	0.436	13	135.0768	1.205	156	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|Si<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|Si<3>,2|H<1>,3|C<3>}	134.7600	0.272	2	135.0768	1.205	156	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|Br<1>,2|H<1>,3|C<3>}	135.6700	0.000	1	135.0768	1.205	156	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	134.0100	1.067	21	135.0768	1.205	156	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	134.7477	0.755	4	135.0768	1.205	156	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|Pt<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	135.4090	0.138	3	135.0768	1.205	156	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	135.6910	0.000	1	135.0768	1.205	156	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<3>,3|C<3>}	135.8450	0.000	1	135.0768	1.205	156	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|F<1>,1|H<1>,1|N<3>,3|C<3>}	136.2615	0.112	2	135.0768	1.205	156	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>}	135.3210	0.000	1	135.0768	1.205	156	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	135.4420	0.000	1	135.0768	1.205	156	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	135.5065	0.551	4	135.0768	1.205	156	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>}	135.3819	0.384	13	135.0768	1.205	156	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	135.5443	0.822	7	135.0768	1.205	156	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	135.4210	0.000	1	135.0768	1.205	156	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	134.9350	0.000	1	135.0768	1.205	156	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	135.7580	0.000	1	135.0768	1.205	156	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]O){1|H<1>,2|O<2>,3|C<3>}	135.8530	0.000	1	135.8530	0.000	1	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]N[6a]H){1|H<1>,2|C<4>,3|C<3>}	135.9180	0.000	1	135.9180	0.000	1	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]O[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|F<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]O[6a]O){2|H<1>,3|C<3>}	136.2030	0.000	1	136.0600	0.060	3	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]O[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]O[6a]O){2|H<1>,3|C<3>}	135.9885	0.299	2	136.0600	0.060	3	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]O[5a])(C[6a]C[5a]N[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]O[5a])(C[6a]C[5a]N[6a]){1|H<1>,1|O<2>,4|C<3>}	137.6590	0.000	1	137.6590	0.000	1	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|Ir<6>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]O[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	135.6355	0.153	2	135.6355	0.024	2	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[6a])(H){1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	133.8830	0.000	1	133.8830	0.000	1	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[6a]O[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|O<2>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){2|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[6a]O[6a]O){1|H<1>,4|C<3>}	135.8355	0.087	2	135.8355	0.008	2	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	133.7145	0.136	2	133.9102	0.107	4	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	134.1060	0.386	2	133.9102	0.107	4	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]P)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]P)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>}	135.6425	0.261	2	135.6425	0.068	2	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(H){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	129.3165	0.220	2	129.3165	0.048	2	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|C<4>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C){3|C<3>,3|H<1>}	131.4340	0.000	1	131.4340	0.000	1	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	128.2420	0.023	2	128.7570	0.236	6	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	129.0145	0.358	4	128.7570	0.236	6	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]S[5a])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]S[5a])(C[6a]C[6a,6a]H){1|H<1>,5|C<3>}	129.1950	0.000	1	129.1950	0.000	1	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	128.9615	0.216	2	128.9615	0.047	2	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]C[6a]){1|H<1>,7|C<3>}	130.6510	0.000	1	130.6510	0.000	1	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	131.1870	0.000	1	131.1870	0.000	1	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]F)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|F<1>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]F){1|F<1>,1|H<1>,1|S<2>,3|C<3>}	129.9350	0.000	1	129.9350	0.000	1	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){1|N<3>,2|H<1>,3|C<3>}	128.2930	0.190	2	128.2458	0.095	5	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){1|S<2>,2|H<1>,3|C<3>}	128.3525	0.473	2	128.2458	0.095	5	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){2|H<1>,4|C<3>}	127.9380	0.000	1	128.2458	0.095	5	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H){1|H<1>,5|C<3>}	128.7904	0.242	5	128.8545	0.305	13	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H){2|H<1>,4|C<3>}	128.8945	0.697	8	128.8545	0.305	13	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]2){1|H<1>,7|C<3>}	131.4020	0.000	1	130.3640	2.155	2	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]2){3|H<1>,5|C<3>}	129.3260	0.000	1	130.3640	2.155	2	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]B[5])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|B<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]B[5]){2|O<2>,3|C<3>,3|H<1>}	130.2690	0.000	1	130.2690	0.000	1	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C){3|C<3>,3|H<1>}	130.3420	0.000	1	130.8734	0.220	5	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C){3|C<3>,3|H<1>}	131.0062	0.419	4	130.8734	0.220	5	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]F)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|F<1>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]F){1|F<1>,1|H<1>,1|S<2>,3|C<3>}	129.7025	0.401	2	129.7025	0.161	2	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|Br<1>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|Br<1>,2|H<1>,3|C<3>}	129.7670	0.092	2	128.9347	0.398	67	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	129.4940	0.000	1	128.9347	0.398	67	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	128.8202	0.310	8	128.9347	0.398	67	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	129.4870	0.943	2	128.9347	0.398	67	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	129.3790	0.175	2	128.9347	0.398	67	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>}	128.4095	0.938	2	128.9347	0.398	67	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	128.7513	0.608	3	128.9347	0.398	67	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|Si<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|Si<4>,2|H<1>,3|C<3>}	128.6070	0.221	2	128.9347	0.398	67	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	128.9095	0.064	2	128.9347	0.398	67	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	128.6454	0.194	8	128.9347	0.398	67	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|Pt<4>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	127.7120	0.303	4	128.9347	0.398	67	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	128.8960	0.000	1	128.9347	0.398	67	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	128.7000	0.000	1	128.9347	0.398	67	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	129.2335	0.592	2	128.9347	0.398	67	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	128.7565	0.443	2	128.9347	0.398	67	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>}	129.8640	0.954	3	128.9347	0.398	67	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	129.0353	0.568	16	128.9347	0.398	67	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	129.1176	0.463	5	128.9347	0.398	67	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|O<2>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	129.8630	0.000	1	128.9347	0.398	67	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]N[6a]F)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|F<1>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]N[6a]F){1|F<1>,1|H<1>,3|C<3>}	130.0700	0.000	1	130.0700	0.000	1	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[6a])(H){1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	130.9860	0.000	1	130.9860	0.000	1	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<2>,2|H<1>,3|C<3>}	128.3800	0.000	1	128.3800	0.000	1	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]O)(H){1|C<4>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	130.0540	0.000	1	130.0540	0.000	1	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,5a]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,5a]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	133.2856	0.288	8	133.2856	0.083	8	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a,6a]H)(H){2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	134.8010	0.000	1	134.8010	0.000	1	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	136.3040	0.000	1	136.5925	0.166	2	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	136.8810	0.000	1	136.5925	0.166	2	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|Br<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|S<4>,2|C<3>,3|H<1>}	135.6100	0.000	1	136.4295	0.370	4	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	136.6670	0.000	1	136.4295	0.370	4	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	136.3940	0.000	1	136.4295	0.370	4	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	137.0470	0.000	1	136.4295	0.370	4	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]O[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	136.6890	0.355	2	136.6890	0.126	2	133.5789	2.097	2814	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[5a])(N[5a,6a]C[6a,6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[5a])(N[5a,6a]C[6a,6a]N[5a]){1|C<4>,1|H<1>,2|N<2>,4|C<3>}	136.2680	0.000	1	136.2680	0.000	1	136.2680	0.000	1	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a,6a]C[6])(C[5a,6a]C[6,6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a,6a]C[6])(C[5a,6a]C[6,6a]N[5a]){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	136.5525	0.054	2	136.5525	0.003	2	136.5525	0.003	2	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a]){1|S<4>,3|H<1>,5|C<3>}	135.0270	0.000	1	135.0270	0.000	1	135.3381	2.508	20	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5,6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5,6a]N[5a]){3|H<1>,6|C<3>}	135.9230	0.000	1	135.9230	0.000	1	135.3381	2.508	20	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a]){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	136.4390	0.000	1	135.6360	0.401	8	135.3381	2.508	20	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a]){1|C<4>,3|H<1>,5|C<3>}	135.8100	0.000	1	135.6360	0.401	8	135.3381	2.508	20	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a]){2|C<4>,2|H<1>,5|C<3>}	136.0870	0.000	2	135.6360	0.401	8	135.3381	2.508	20	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a]){1|S<4>,3|H<1>,5|C<3>}	134.4280	0.000	1	135.6360	0.401	8	135.3381	2.508	20	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a]){3|H<1>,6|C<3>}	135.1520	0.000	1	135.6360	0.401	8	135.3381	2.508	20	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a]){3|H<1>,6|C<3>}	135.6240	0.000	1	135.6360	0.401	8	135.3381	2.508	20	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a]){4|H<1>,5|C<3>}	135.4610	0.000	1	135.6360	0.401	8	135.3381	2.508	20	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a]){1|C<4>,2|H<1>,5|C<3>}	136.0220	0.000	1	135.9400	0.032	3	135.3381	2.508	20	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a]){1|C<4>,3|H<1>,5|C<3>}	135.8990	0.232	2	135.9400	0.032	3	135.3381	2.508	20	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a]){1|H<1>,1|N<2>,2|C<4>,4|C<3>}	134.5340	0.024	2	134.5340	0.001	2	135.3381	2.508	20	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5,6a]O[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5,6a]O[5a]){2|H<1>,6|C<3>}	137.2690	0.000	1	137.2690	0.000	1	135.3381	2.508	20	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){2|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a]){2|H<1>,6|C<3>}	137.7280	0.000	1	137.7280	0.000	1	135.3381	2.508	20	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]N[6a]O[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]N[6a]O[5a]){1|H<1>,5|C<3>}	136.0650	0.000	1	136.0650	0.000	1	135.3381	2.508	20	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a]){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	131.3870	0.240	2	131.3870	0.058	2	135.3381	2.508	20	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:N[5a,6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a]){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	135.9170	0.000	1	136.0355	0.028	2	136.0355	0.028	2	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:N[5a,6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a]){2|H<1>,6|C<3>}	136.1540	0.000	1	136.0355	0.028	2	136.0355	0.028	2	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H){1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2){2|H<1>,6|C<3>}	134.9370	0.000	1	134.9370	0.000	1	134.9370	0.000	1	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[5a]O[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[5a]O[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	134.5670	0.000	1	134.5670	0.000	1	135.1200	0.324	5	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|H<1>,6|C<3>}	136.0740	0.000	1	136.0740	0.000	1	135.1200	0.324	5	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){3|C<3>,3|H<1>}	134.9863	0.116	3	134.9863	0.013	3	135.1200	0.324	5	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[6,6a]C[5a,6,6a]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[6,6a]C[5a,6,6a]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a]){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	135.6280	0.000	1	135.6280	0.000	1	135.6280	0.000	1	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a]){1|C<4>,1|H<1>,7|C<3>}	135.4060	0.000	1	135.4060	0.000	1	136.0103	2.509	6	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a]){2|H<1>,7|C<3>}	133.3480	0.000	1	133.3480	0.000	1	136.0103	2.509	6	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a]){1|H<1>,7|C<3>}	136.8270	0.899	4	136.8270	0.807	4	136.0103	2.509	6	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5,5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5,5a,6a]C[6a])(C[5a,6a]C[5,5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](N[5,5a,6a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a,6a]C[6a])(C[5a,6a]C[5,5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](N[5,5a,6a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	130.5890	0.000	1	130.9445	0.253	2	130.9445	0.253	2	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5,5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5,5a,6a]C[6a])(C[5a,6a]C[5,5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](N[5,5a,6a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a,6a]C[6a])(C[5a,6a]C[5,5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](N[5,5a,6a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	131.3000	0.000	1	130.9445	0.253	2	130.9445	0.253	2	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6,6a]C[6a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6,6a]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]N[5a,6,6a]C[6a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](N[5a,6,6a]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|H<1>,8|C<3>}	132.0860	0.000	1	132.0860	0.000	1	130.8263	1.340	4	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6,6a]C[6a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6,6a]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]N[5a,6,6a]C[6a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](N[5a,6,6a]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,5|C<3>}	131.5180	0.000	1	131.5180	0.000	1	130.8263	1.340	4	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6,6a]C[6a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6,6a]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6,6a]C[6a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](N[5a,6,6a]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	129.8505	0.224	2	129.8505	0.050	2	130.8263	1.340	4	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O){1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(O){2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	130.3385	0.433	2	130.3385	0.188	2	130.3385	0.188	2	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]H){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a]N)(H){1|C<4>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	134.7810	0.000	1	134.7810	0.000	1	135.3725	0.700	2	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]N[6a]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a]C)(H){1|O<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	135.9640	0.000	1	135.9640	0.000	1	135.3725	0.700	2	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]C)(O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]O){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]C)(O){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	131.8620	0.000	1	131.8620	0.000	1	131.3970	0.730	5	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]H)(O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]O){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]H)(O){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	131.7323	0.318	3	131.7323	0.101	3	131.3970	0.730	5	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a]2)(O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]O){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a]2)(O){1|C<4>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	129.9260	0.000	1	129.9260	0.000	1	131.3970	0.730	5	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]C)(O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]N[6a]O){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]C)(O){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	126.6330	0.000	1	126.6330	0.000	1	126.6330	0.000	1	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[5a,6a]C[5a,6a]2)(H){1|N<3>,3|C<3>,4|C<4>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	132.9550	0.000	1	132.9550	0.000	1	134.3498	0.771	10	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[5a,6a]C[5a,6a]2)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	134.3970	0.000	1	134.4113	0.749	7	134.3498	0.771	10	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[5a,6a]C[5a,6a]2)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	135.9550	0.000	1	134.4113	0.749	7	134.3498	0.771	10	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,2|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	133.0790	0.000	1	134.4113	0.749	7	134.3498	0.771	10	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[5a,6a]C[5a,6a]2)(H){2|C<4>,2|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	134.0140	0.000	1	134.4113	0.749	7	134.3498	0.771	10	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[5a,6a]C[5a,6a]2)(H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	134.6040	0.259	2	134.4113	0.749	7	134.3498	0.771	10	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,2|C<4>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	134.2260	0.000	1	134.4113	0.749	7	134.3498	0.771	10	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6,6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6,6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	134.7480	0.000	1	134.7480	0.000	1	134.3498	0.771	10	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6,6a]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6,6a]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[5a,6a]C[5a,6a]2)(H){1|C<4>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	134.9160	0.000	1	134.9160	0.000	1	134.3498	0.771	10	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){7|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	132.0455	1.128	2	132.0455	1.272	2	132.0455	1.272	2	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){2|H<1>,7|C<3>}	135.5080	0.000	1	135.5080	0.000	1	135.6345	0.032	2	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2){1|C<4>,2|H<1>,6|C<3>}	135.7610	0.000	1	135.7610	0.000	1	135.6345	0.032	2	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a,6a]H){1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]2)(H){7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	128.6920	0.000	1	128.6920	0.000	1	132.4795	8.774	37	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]S[5a])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]S[5a])(C[6a]C[6a,6a]H){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	129.1470	0.000	1	129.1470	0.000	1	132.4795	8.774	37	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H){1|C<4>,2|H<1>,4|C<3>}	134.5428	0.150	4	134.5428	0.023	4	132.4795	8.774	37	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	134.3530	0.000	1	133.9038	2.308	11	132.4795	8.774	37	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H){1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	132.3533	0.560	4	133.9038	2.308	11	132.4795	8.774	37	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H){3|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	133.4200	0.000	1	133.9038	2.308	11	132.4795	8.774	37	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H){3|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|N<3>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	134.3810	0.857	2	133.9038	2.308	11	132.4795	8.774	37	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H){3|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|O<1>,2|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	135.6647	0.893	3	133.9038	2.308	11	132.4795	8.774	37	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H){2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H){1|O<2>,2|H<1>,3|C<3>}	135.5160	0.000	1	135.5160	0.000	1	132.4795	8.774	37	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	129.1046	0.172	5	129.2812	0.258	13	132.4795	8.774	37	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H){2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|C<2>,1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	128.7940	0.426	3	129.2812	0.258	13	132.4795	8.774	37	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H){2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	129.7500	0.403	5	129.2812	0.258	13	132.4795	8.774	37	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<3>,2|H<1>}	136.1420	0.000	1	135.9133	0.380	4	132.4795	8.774	37	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	136.0320	0.000	1	135.9133	0.380	4	132.4795	8.774	37	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	136.4510	0.000	1	135.9133	0.380	4	132.4795	8.774	37	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	135.0280	0.000	1	135.9133	0.380	4	132.4795	8.774	37	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H){1|O<2>,1|S<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|N<2>,1|S<4>,2|C<3>,3|H<1>}	135.4190	0.000	1	135.4190	0.000	1	132.4795	8.774	37	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]O[6a])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]O[6a])(C[6a]C[6a,6a]H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|Cl<1>,1|N<2>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|F<1>,1|O<2>,2|C<3>,2|H<1>}	137.5460	0.000	1	137.5460	0.000	1	132.4795	8.774	37	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a]){1|O<2>,2|H<1>,5|C<3>}	136.5130	0.000	1	136.5130	0.000	1	136.5130	0.000	1	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,5|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){2|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl){3|C<3>,4|H<1>}	132.6530	0.000	1	132.6530	0.000	1	132.9075	0.130	2	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|N<3>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	133.1620	0.000	1	133.1620	0.000	1	132.9075	0.130	2	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[6a]-3:C[5a,6a]-3:O-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[6a]N[6a]O)	C[6a](N[6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[6a]N[6a]O){1|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(O){1|O<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	132.0590	0.000	1	132.0590	0.000	1	132.0590	0.000	1	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[5a]O[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[5a]O[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	134.7670	0.000	1	134.7670	0.000	1	133.6350	2.563	2	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]N[6a]O){1|C<4>,1|H<1>,5|C<3>}	132.5030	0.000	1	132.5030	0.000	1	133.6350	2.563	2	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){1|B<6>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){1|B<6>,3|C<3>,3|H<1>}	131.4545	0.397	2	129.8692	2.530	30	129.1432	4.718	38	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	128.6978	0.486	10	129.8692	2.530	30	129.1432	4.718	38	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	128.5898	0.369	4	129.8692	2.530	30	129.1432	4.718	38	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	128.9355	0.095	2	129.8692	2.530	30	129.1432	4.718	38	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){1|Cl<1>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){1|Cl<1>,3|C<3>,3|H<1>}	132.9010	0.044	2	129.8692	2.530	30	129.1432	4.718	38	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	129.5065	0.213	2	129.8692	2.530	30	129.1432	4.718	38	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){2|Cl<1>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){2|Cl<1>,3|C<3>,3|H<1>}	130.1500	1.160	4	129.8692	2.530	30	129.1432	4.718	38	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	132.1358	0.115	4	129.8692	2.530	30	129.1432	4.718	38	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]C[6a,6a]B[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]C[6a,6a]B[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]C[6a,6a]B[5a])(C[6a]C[6a]H){2|Cl<1>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a,6a]H)(H){1|B<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]C[6a,6a]B[5a])(C[6a]C[6a]H){2|Cl<1>,2|H<1>,4|C<3>}	128.1522	0.600	4	128.1522	0.360	4	129.1432	4.718	38	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]Ge[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]Ge[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]Ge[5a]C[6a])(C[6a]C[6a]H){1|Br<1>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|Ge<3>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]Ge[5a]C[6a])(C[6a]C[6a]H){1|Br<1>,3|C<3>,3|H<1>}	124.4065	0.303	2	124.6890	0.331	4	129.1432	4.718	38	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]Ge[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]Ge[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]Ge[5a]C[6a])(C[6a]C[6a]H){1|Cl<1>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|Ge<3>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]Ge[5a]C[6a])(C[6a]C[6a]H){1|Cl<1>,3|C<3>,3|H<1>}	124.9715	0.763	2	124.6890	0.331	4	129.1432	4.718	38	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5,5a,6a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5,5a,6a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a,6a]C[6a])(C[5a,6a]C[5,5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5,5a,6a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5,5a,6a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5,5a,6a]C[6a])(C[5a,6a]C[5,5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	140.4580	0.000	1	141.8045	3.626	2	141.8045	3.626	2	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5,5a,6a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5,5a,6a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a,6a]C[6a])(C[5a,6a]C[5,5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5,5a,6a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5,5a,6a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5,5a,6a]C[6a])(C[5a,6a]C[5,5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	143.1510	0.000	1	141.8045	3.626	2	141.8045	3.626	2	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,5a,6a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,5a,6a]C[6a])(C[5a,6a]C[5a,5a]C[6a])(C[6a]C[6a]O)	C[5a,6a](N[5a,5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	C[6a](C[5a,6a]N[5a,5a,6a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a,6a]C[6a])(C[5a,6a]C[5a,5a]C[6a])(C[6a]C[6a]O){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	143.1390	0.000	1	143.1390	0.000	1	143.1390	0.000	1	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6,6a]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6,6a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6,6a]C[6a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6,6a]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]N[5a,6,6a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6,6a]C[6a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	134.0950	0.000	1	133.6615	0.376	2	133.6615	0.376	2	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6,6a]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6,6a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6,6a]C[6a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6,6a]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]N[5a,6,6a]C[5a,6a])(C[6a]C[6a]H)(H){5|C<3>}	C[5a,6a](C[5a,6a]N[5a,6,6a]C[6a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	133.2280	0.000	1	133.6615	0.376	2	133.6615	0.376	2	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]B[5a,6,6]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[5a]C[6a])(H)	C[5a,6a](N[5a,6a]B[5a,6,6]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]B[5a,6,6]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[5a]C[6a])(H){1|B<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](N[5a,6a]B[5a,6,6]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	126.8250	0.170	2	127.0675	0.124	6	127.2830	0.182	14	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]B[5a,6,6]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[5a]C[6a])(H)	C[5a,6a](N[5a,6a]B[5a,6,6]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]B[5a,6,6]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[5a]C[6a])(H){1|B<4>,1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[5a,6a](N[5a,6a]B[5a,6,6]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	127.1887	0.372	4	127.0675	0.124	6	127.2830	0.182	14	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]B[5a,6,6]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]2)(H)	C[5a,6a](N[5a,6a]B[5a,6,6]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]B[5a,6,6]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]2)(H){1|B<4>,1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](N[5a,6a]B[5a,6,6]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	127.1040	0.030	2	127.1040	0.001	2	127.2830	0.182	14	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]B[5a,6,6]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]B[5a,6,6]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]B[5a,6,6]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|B<4>,1|C<2>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]B[5a,6,6]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	127.5615	0.424	2	127.5582	0.189	6	127.2830	0.182	14	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]B[5a,6,6]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]B[5a,6,6]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]B[5a,6,6]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]B[5a,6,6]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	127.1515	0.330	2	127.5582	0.189	6	127.2830	0.182	14	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]B[5a,6,6]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]B[5a,6,6]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]B[5a,6,6]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|B<4>,1|N<3>,3|C<3>}	C[5a,6a](N[5a,6a]B[5a,6,6]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	127.9615	0.050	2	127.5582	0.189	6	127.2830	0.182	14	133.5712	3.291	3350	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2)(CC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C){1|C<2>,1|H<1>,1|O<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2)(CC){1|O<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|O<1>,2|H<1>,3|C<3>}	130.5800	0.000	1	130.5800	0.000	1	130.5800	0.000	1	133.8698	5.099	53	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(OC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]O){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(OC){1|C<4>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	132.6430	0.000	1	133.0220	0.287	2	133.0220	0.287	2	133.8698	5.099	53	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(OC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]O){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(OC){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	133.4010	0.000	1	133.0220	0.287	2	133.0220	0.287	2	133.8698	5.099	53	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a]N[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]O[5a])(N[6a]N[6a])	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a]N[6a]){1|H<1>,1|N<2>,1|O<2>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]O[5a])(N[6a]N[6a]){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,5|C<3>}	133.8143	0.192	4	133.8143	0.037	4	133.8143	0.037	4	133.8698	5.099	53	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]O[5a])(C[6a]C[5a]N[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]O[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]O[5a])(C[6a]C[5a]N[6a]){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]O[5a])(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<2>}	141.6840	0.000	1	141.6840	0.000	1	141.6840	0.000	1	133.8698	5.099	53	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CN)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CN){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[5a,6a]C[5a,6a]2){1|C<2>,1|C<4>,1|S<2>,6|C<3>}	136.8340	0.557	2	136.8340	0.310	2	136.8340	0.310	2	133.8698	5.099	53	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(CN)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(CN){1|N<3>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	133.2180	0.000	1	133.2180	0.000	1	131.8330	3.836	2	133.8698	5.099	53	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CN)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CN){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<2>,2|H<1>,3|C<3>}	130.4480	0.000	1	130.4480	0.000	1	131.8330	3.836	2	133.8698	5.099	53	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5,6a]N[5a])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5,6a]H)(OH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5,6a]N[5a])(C[6a]C[6a]O){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5,6a]H)(OH){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	130.8810	0.000	1	130.8810	0.000	1	133.4886	3.077	36	133.8698	5.099	53	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]C)(OH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]O){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]C)(OH){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	130.9110	0.264	2	130.9110	0.070	2	133.4886	3.077	36	133.8698	5.099	53	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]C)(OC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[6a]C[6a]O){1|C<4>,1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]C)(OC){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>}	136.9030	0.000	1	136.9030	0.000	1	133.4886	3.077	36	133.8698	5.099	53	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|C<2>,1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OC){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|O<2>,3|C<3>,3|H<1>}	131.7880	0.000	1	131.7880	0.000	1	133.4886	3.077	36	133.8698	5.099	53	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OC){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|H<1>,3|C<3>}	133.1227	0.352	3	133.0948	0.254	5	133.4886	3.077	36	133.8698	5.099	53	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|S<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OC){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|H<1>,3|C<3>}	133.0530	0.874	2	133.0948	0.254	5	133.4886	3.077	36	133.8698	5.099	53	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|C<2>,1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OH){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	132.1400	0.000	1	132.7622	0.230	14	133.4886	3.077	36	133.8698	5.099	53	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|C<2>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OH){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	132.8200	0.000	1	132.7622	0.230	14	133.4886	3.077	36	133.8698	5.099	53	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|C<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OH){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	133.2790	0.000	1	132.7622	0.230	14	133.4886	3.077	36	133.8698	5.099	53	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|C<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OH){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	133.1945	0.183	4	132.7622	0.230	14	133.4886	3.077	36	133.8698	5.099	53	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OH){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	132.4950	0.000	1	132.7622	0.230	14	133.4886	3.077	36	133.8698	5.099	53	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|S<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OH){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|H<1>,3|C<3>}	131.8660	0.000	1	132.7622	0.230	14	133.4886	3.077	36	133.8698	5.099	53	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|S<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OH){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|H<1>,3|C<3>}	132.6586	0.373	5	132.7622	0.230	14	133.4886	3.077	36	133.8698	5.099	53	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]C){1|C<4>,1|O<2>,5|C<3>}	137.4320	0.000	1	137.4320	0.000	1	133.4886	3.077	36	133.8698	5.099	53	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	136.3455	0.561	2	136.3455	0.314	2	133.4886	3.077	36	133.8698	5.099	53	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	133.6650	0.000	1	133.5702	0.279	4	133.4886	3.077	36	133.8698	5.099	53	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	133.5387	0.642	3	133.5702	0.279	4	133.4886	3.077	36	133.8698	5.099	53	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|N<2>,1|S<4>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(OC){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H){1|O<2>,1|S<4>,4|C<3>}	132.4760	0.000	1	132.4760	0.000	1	133.4886	3.077	36	133.8698	5.099	53	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(OS)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(OS){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	135.6340	0.000	1	135.6340	0.000	1	133.4886	3.077	36	133.8698	5.099	53	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]H)(OC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]H)(OC){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	134.6710	0.000	1	134.6710	0.000	1	133.4886	3.077	36	133.8698	5.099	53	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(OC){2|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[6a]C[6a]O){1|C<4>,1|O<2>,4|C<3>}	137.7360	0.000	1	137.7360	0.000	1	133.4886	3.077	36	133.8698	5.099	53	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(OC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]O){1|H<1>,2|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(OC){2|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	135.1290	0.000	1	135.1290	0.000	1	133.4886	3.077	36	133.8698	5.099	53	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	N[5a,5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,5a,6a]C[6a])(C[5a,6a]C[5a,5a]C[6a])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(OC)	C[5a,6a](N[5a,5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a,6a]C[6a])(C[5a,6a]C[5a,5a]C[6a])(C[6a]C[6a]O){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(OC){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](N[5a,5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	131.0970	0.000	1	131.0970	0.000	1	131.0970	0.000	1	133.8698	5.099	53	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a]){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>,2|N<2>}	138.6630	0.000	1	138.6630	0.000	1	138.6630	0.000	1	133.8698	5.099	53	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	136.2830	0.411	3	136.2830	0.169	3	136.2830	0.169	3	133.8698	5.099	53	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|H<1>,8|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	135.5400	0.338	2	135.5400	0.114	2	135.5400	0.114	2	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|H<1>,8|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	132.2940	0.000	1	132.2940	0.000	1	132.2940	0.000	1	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]C[6a]){1|H<1>,7|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[5,6a]2)(C[6a]C[6a]2){1|S<2>,2|H<1>,8|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	130.0580	0.000	1	130.0580	0.000	1	130.0580	0.000	1	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]2)2(CC[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C){1|C<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)2(CC[6a]O){2|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	134.5005	0.286	2	134.5005	0.082	2	134.4632	1.061	6	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]2)2(COO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)2(COO){2|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	133.4955	1.261	2	133.4955	1.590	2	134.4632	1.061	6	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]2)2(CC[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)2(CC[6a]O){1|N<2>,2|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	135.3935	0.169	2	135.3935	0.029	2	134.4632	1.061	6	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a]){1|H<1>,8|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,7|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	129.9849	0.482	8	129.9849	0.233	8	129.9849	0.233	8	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[6a]){1|S<4>,2|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)2(C[6a]C[6a]2){1|N<3>,1|O<2>,2|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	131.8900	0.000	1	131.8900	0.000	1	133.1800	3.097	8	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[6a]){1|S<4>,2|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){1|N<3>,1|S<2>,3|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	131.7625	0.002	2	131.7625	0.000	2	133.1800	3.097	8	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){1|C<4>,1|N<3>,2|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	130.8620	0.000	1	130.8620	0.000	1	133.1800	3.097	8	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]C[6a]){2|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)2(C[6a]C[6a]2){1|N<3>,1|O<2>,2|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	134.5670	0.000	1	134.5670	0.000	1	133.1800	3.097	8	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C[6a]){2|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){1|C<4>,2|H<1>,2|N<2>,2|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|N<2>,2|H<1>,3|C<3>}	135.2110	0.000	1	134.8653	0.090	3	133.1800	3.097	8	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C[6a]){2|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){1|C<4>,2|H<1>,2|N<2>,2|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	134.6925	0.013	2	134.8653	0.090	3	133.1800	3.097	8	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[5a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[5a]C[6a]){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]S[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	136.8590	0.000	1	136.8590	0.000	1	136.8590	0.000	1	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]O[6a])(C[6a]C[6a,6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a,6a]2)(CC[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]O[6a])(C[6a]C[6a,6a]C){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a,6a]2)(CC[6a]C){1|N<2>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	136.1930	0.000	1	136.1930	0.000	1	136.1930	0.000	1	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:B[5]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]B[5])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(B[5]O[5]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]B[5]){2|O<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(B[5]O[5]2){1|H<1>,1|S<2>,2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|B<3>,2|H<1>,3|C<3>}	131.2940	0.000	1	131.2940	0.000	1	131.2940	0.000	1	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CNO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CNO){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[5a,6a]C[5a,6a]2){1|C<4>,1|S<2>,7|C<3>}	135.7595	0.019	2	135.7595	0.000	2	136.4005	0.582	4	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(COO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(COO){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[5a,6a]C[5a,6a]2){1|C<4>,1|S<2>,7|C<3>}	137.0415	0.319	2	137.0415	0.102	2	136.4005	0.582	4	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[4,6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[4,6a]O)(CSiC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[4,6a]N[5a])(C[6a]C[6a]C){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[4,6a]O)(CSiC){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	132.6180	0.000	1	132.6180	0.000	1	133.9645	6.609	12	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CC[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CC[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|C<2>,1|H<1>,5|C<3>}	130.9910	0.000	1	130.9910	0.000	1	133.9645	6.609	12	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(COO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(COO){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	136.9120	0.000	1	136.9120	0.000	1	133.9645	6.609	12	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N)(COO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N)(COO){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,2|H<1>,4|C<3>}	136.6870	0.000	1	136.6870	0.000	1	133.9645	6.609	12	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(CC[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(CC[6a]O){1|H<1>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,4|C<3>}	135.4760	0.000	1	135.3545	0.030	2	133.9645	6.609	12	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(CC[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(CC[6a]O){1|H<1>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	135.2330	0.000	1	135.3545	0.030	2	133.9645	6.609	12	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CCO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CCO){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	132.1865	0.337	4	132.1865	0.114	4	133.9645	6.609	12	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CHO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CHO){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	131.9470	0.000	1	131.9470	0.000	1	133.9645	6.609	12	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(COO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(COO){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	138.9640	0.000	1	138.9640	0.000	1	133.9645	6.609	12	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|H<1>,7|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,7|C<3>}	135.6700	0.000	1	135.6700	0.000	1	135.6700	0.000	1	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,2|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	133.4870	0.000	1	133.4870	0.000	1	133.8679	2.903	43	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6,6a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]2){1|S<2>,2|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6,6a]C)(C[6a]C[6a]2){1|H<1>,3|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	134.6853	0.301	3	134.6853	0.090	3	133.8679	2.903	43	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2){1|C<2>,2|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	133.5070	0.851	2	133.5070	0.725	2	133.8679	2.903	43	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	132.8720	0.991	2	132.8720	0.983	2	133.8679	2.903	43	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	133.1662	0.987	4	133.8739	1.077	15	133.8679	2.903	43	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	134.5235	0.227	2	133.8739	1.077	15	133.8679	2.903	43	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	134.8750	0.000	1	133.8739	1.077	15	133.8679	2.903	43	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	134.1370	0.000	1	133.8739	1.077	15	133.8679	2.903	43	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	132.8630	0.000	1	133.8739	1.077	15	133.8679	2.903	43	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	132.9375	0.624	2	133.8739	1.077	15	133.8679	2.903	43	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	134.6615	0.921	4	133.8739	1.077	15	133.8679	2.903	43	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]I)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|I<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]I){1|N<3>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	132.2590	0.000	1	132.1178	1.187	6	133.8679	2.903	43	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]I)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|I<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]I){1|N<3>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	130.9600	1.276	2	132.1178	1.187	6	133.8679	2.903	43	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]I)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|I<1>,2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]I){1|N<3>,3|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	132.8427	0.120	3	132.1178	1.187	6	133.8679	2.903	43	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]O){1|N<3>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	133.7605	1.223	2	133.7605	1.495	2	133.8679	2.903	43	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){1|N<2>,1|N<3>,2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]N[6a]N){1|N<3>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	132.6490	0.000	1	132.6490	0.000	1	133.8679	2.903	43	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)2{1|N<3>,2|H<1>,8|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	133.2750	0.000	1	133.2750	0.000	1	133.8679	2.903	43	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	134.5390	0.000	1	134.5390	0.000	1	133.8679	2.903	43	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]2){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]O){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	134.6480	0.000	1	134.6480	0.000	1	133.8679	2.903	43	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|S<2>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	131.6770	0.000	1	131.6770	0.000	1	133.8679	2.903	43	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]2){1|H<1>,7|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)2{1|S<2>,2|H<1>,8|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	130.2580	0.000	1	130.2580	0.000	1	133.8679	2.903	43	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2){1|S<4>,2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|S<4>,2|H<1>,3|C<3>}	135.8480	0.000	1	136.5002	0.495	4	133.8679	2.903	43	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	136.2750	0.000	1	136.5002	0.495	4	133.8679	2.903	43	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	136.9390	0.791	2	136.5002	0.495	4	133.8679	2.903	43	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)2{1|N<2>,1|N<3>,2|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	136.6140	0.000	1	136.6140	0.000	1	133.8679	2.903	43	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]O[6a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]O[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|O<2>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	138.0200	0.000	1	138.0200	0.000	1	133.8679	2.903	43	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(NHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(NHH){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[5a,6a]C[5a,6a]2){1|C<4>,1|N<3>,1|S<2>,6|C<3>}	135.5740	0.000	1	135.5740	0.000	1	135.5740	0.000	1	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]N)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(NHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]N){1|S<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(NHH){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|S<4>,3|C<3>}	131.5080	0.000	1	131.3425	0.055	2	133.4836	2.577	8	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]N)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(NHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]N){1|S<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(NHH){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,1|S<4>,2|H<1>,3|C<3>}	131.1770	0.000	1	131.3425	0.055	2	133.4836	2.577	8	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(NOO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(NOO){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	135.8760	0.000	1	135.8760	0.000	1	133.4836	2.577	8	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(NHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N){1|C<2>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(NHH){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,1|S<4>,2|H<1>,3|C<3>}	132.9100	0.000	1	132.9100	0.000	1	133.4836	2.577	8	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(NCH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(NCH){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	134.6580	0.000	2	134.6580	0.000	2	133.4836	2.577	8	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(NHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(NHH){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	133.5410	0.000	2	133.5410	0.000	2	133.4836	2.577	8	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|H<1>,8|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	131.1870	0.157	2	131.1870	0.025	2	130.9346	0.112	5	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|H<1>,8|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	130.7663	0.324	3	130.7663	0.105	3	130.9346	0.112	5	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){1|N<3>,2|H<1>,8|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	132.9530	0.000	1	132.9530	0.000	1	133.7877	1.555	9	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]C[6a]){2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){1|O<2>,3|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	135.0230	0.000	1	135.0230	0.000	1	133.7877	1.555	9	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5,6a]C[5a])(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5,6a]C[5a])(C[6a]C[6a,6a]C[6a]){1|C<2>,1|C<4>,1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|N<3>,2|H<1>,3|C<3>}	132.8090	0.000	1	132.8090	0.000	1	133.7877	1.555	9	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){1|N<2>,1|N<3>,3|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	135.6620	0.000	1	134.9940	0.717	3	133.7877	1.555	9	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]C[6a]){2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){1|N<2>,1|N<3>,3|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	134.6600	0.874	2	134.9940	0.717	3	133.7877	1.555	9	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]S[6a])(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]S[6a])(C[6a]C[6a,6a]C[6a]){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){1|N<2>,1|S<2>,3|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	132.7740	0.435	3	132.7740	0.189	3	133.7877	1.555	9	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2){1|N<3>,2|H<1>,8|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2){1|C<4>,1|H<1>,7|C<3>}	131.6660	0.000	1	131.6660	0.000	1	131.6660	0.000	1	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]C[6a]){2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]2){1|H<1>,1|N<2>,1|N<3>,8|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	135.1565	0.241	2	135.1565	0.058	2	135.1565	0.058	2	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[5a,6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCO){7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	130.1340	0.000	1	130.1340	0.000	1	129.8945	0.118	8	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[5a,6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CC[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CC[6a]O){7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	129.8603	0.356	7	129.8603	0.127	7	129.8945	0.118	8	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[5a,6a]-3:C[6a]-3:	B[6a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]B[6a,6a]C[5a,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](B[6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]S[5a])	C[5a,6a](C[5a,6a]B[6a,6a]C[5a,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|B<3>,1|S<2>,2|H<1>,5|C<3>}	C[5a,6a](B[6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]S[5a]){8|C<3>}	130.6830	0.092	2	130.6830	0.008	2	130.6830	0.008	2	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[5a,6a]C[5a,6a]2){1|C<4>,1|N<3>,7|C<3>}	136.7130	0.293	2	136.7130	0.086	2	135.8995	0.967	4	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O){1|H<1>,1|N<3>,1|O<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[5a,6a]C[5a,6a]2){1|H<1>,1|N<3>,7|C<3>}	135.0860	0.412	2	135.0860	0.169	2	135.8995	0.967	4	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|O<1>,7|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){1|H<1>,1|N<3>,9|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	129.8380	0.000	1	129.8380	0.000	1	133.1122	5.102	16	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|H<1>,7|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){2|H<1>,2|N<3>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	131.8530	0.000	1	131.8530	0.000	1	133.1122	5.102	16	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|H<1>,7|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){1|N<3>,2|H<1>,8|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	131.8780	0.000	1	131.8780	0.000	1	133.1122	5.102	16	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	135.2470	0.130	3	135.8268	0.639	5	133.1122	5.102	16	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	136.6965	0.025	2	135.8268	0.639	5	133.1122	5.102	16	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O){1|H<1>,1|N<3>,1|O<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	133.4070	0.932	4	133.4070	0.868	4	133.1122	5.102	16	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|S<2>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	130.8663	0.243	4	130.8663	0.059	4	133.1122	5.102	16	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a]){1|H<1>,8|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){2|H<1>,9|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	130.9260	0.000	2	130.9260	0.000	2	130.9260	0.000	2	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|H<1>,1|O<1>,7|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	132.8520	0.000	1	132.8520	0.000	1	132.8520	0.000	1	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]2){1|N<2>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	135.8110	0.000	1	135.8110	0.000	1	135.8110	0.000	1	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6,6a]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[5a,6,6a]C[6a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6,6a]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|H<1>,8|C<3>}	C[6a](C[5a,6a]N[5a,6,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[5a,6a](C[5a,6a]N[5a,6,6a]C[6a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	135.3100	0.000	1	135.3100	0.000	1	135.3100	0.000	1	133.3264	4.988	150	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3){2|N<3>,3|N<2>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,1|N<2>,4|C<3>}	135.1420	0.000	1	135.1420	0.000	1	135.1420	0.000	1	135.1420	0.000	1	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(C[5a,6a]C[5a,6a]N[5a])(CCHH)	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C){1|B<4>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(C[5a,6a]C[5a,6a]N[5a])(CCHH){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,1|C<4>,2|H<1>,3|C<3>}	134.8550	0.000	1	134.8550	0.000	1	134.8550	0.000	1	133.3248	3.472	60	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C){1|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(CH3){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	134.1330	0.000	1	134.1330	0.000	1	134.1330	0.000	1	133.3248	3.472	60	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[5a,6a]C)(CBrHH)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C){2|C<4>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[5a,6a]C)(CBrHH){5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,2|C<4>,4|C<3>}	139.0470	0.250	2	139.0470	0.063	2	139.0470	0.063	2	133.3248	3.472	60	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:B[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]B[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]S[5a])(B[6a]C[6a]N[6a])	C[5a,6a](C[5a,6a]C[5a,6a]B[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C){1|C<4>,1|N<3>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(CH3){1|B<3>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]S[5a])(B[6a]C[6a]N[6a]){1|C<4>,1|H<1>,6|C<3>}	130.4500	0.000	1	130.4500	0.000	1	130.4500	0.000	1	133.3248	3.472	60	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]2)2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C){1|S<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)2(CCHH){1|N<3>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	132.2625	0.144	2	132.2625	0.021	2	132.5654	2.367	8	133.3248	3.472	60	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]2)2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]C){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)2(CCHH){1|N<3>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	134.8530	0.055	2	134.8530	0.003	2	132.5654	2.367	8	133.3248	3.472	60	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]F)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C){1|C<4>,1|F<1>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(CCHH){1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]F){1|C<4>,2|F<1>,3|C<3>}	131.9407	0.407	3	131.9407	0.166	3	132.5654	2.367	8	133.3248	3.472	60	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(CCHH){1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	130.4700	0.000	1	130.4700	0.000	1	132.5654	2.367	8	133.3248	3.472	60	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CBr2H)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CBr2H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C){2|C<4>,5|C<3>}	133.1055	0.684	2	133.1055	0.468	2	133.1055	0.468	2	133.3248	3.472	60	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a,6a]C)(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a,6a]C)(CCHH){1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	130.2660	0.158	3	130.2660	0.025	3	133.1500	2.566	38	133.3248	3.472	60	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a,6a]H)(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a,6a]H)(CCHH){1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	130.2930	0.000	1	130.2930	0.000	1	133.1500	2.566	38	133.3248	3.472	60	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]C)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C){1|H<1>,1|S<4>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]C)(CH3){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	131.7470	0.000	1	131.7470	0.000	1	133.1500	2.566	38	133.3248	3.472	60	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|S<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(CC[6a]HH){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	132.0300	0.000	1	132.0300	0.000	1	133.1500	2.566	38	133.3248	3.472	60	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(CCHH){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	134.4590	0.216	2	134.3893	0.038	3	133.1500	2.566	38	133.3248	3.472	60	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(CCHH){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	134.2500	0.000	1	134.3893	0.038	3	133.1500	2.566	38	133.3248	3.472	60	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(CH3){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	133.6840	0.000	1	133.0923	0.312	10	133.1500	2.566	38	133.3248	3.472	60	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|H<1>,3|C<3>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(CH3){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	132.5873	0.102	3	133.0923	0.312	10	133.1500	2.566	38	133.3248	3.472	60	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|S<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(CH3){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	132.6845	0.503	2	133.0923	0.312	10	133.1500	2.566	38	133.3248	3.472	60	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(CH3){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	133.3240	0.000	1	133.0923	0.312	10	133.1500	2.566	38	133.3248	3.472	60	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(CH3){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	133.9480	0.000	1	133.0923	0.312	10	133.1500	2.566	38	133.3248	3.472	60	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(CH3){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	133.4180	0.300	2	133.0923	0.312	10	133.1500	2.566	38	133.3248	3.472	60	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CC3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CC3){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	134.0820	0.000	1	134.0820	0.000	1	133.1500	2.566	38	133.3248	3.472	60	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CCHH){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,1|S<4>,3|C<3>}	132.3960	0.000	1	132.8030	0.179	3	133.1500	2.566	38	133.3248	3.472	60	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CCHH){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	133.2410	0.000	1	132.8030	0.179	3	133.1500	2.566	38	133.3248	3.472	60	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CCHH){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	132.7720	0.000	1	132.8030	0.179	3	133.1500	2.566	38	133.3248	3.472	60	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	133.1720	0.000	1	132.7379	0.466	9	133.1500	2.566	38	133.3248	3.472	60	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	131.7140	0.000	1	132.7379	0.466	9	133.1500	2.566	38	133.3248	3.472	60	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	133.6160	0.270	2	132.7379	0.466	9	133.1500	2.566	38	133.3248	3.472	60	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|S<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,1|S<4>,3|C<3>}	133.1120	0.000	1	132.7379	0.466	9	133.1500	2.566	38	133.3248	3.472	60	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|S<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	132.5770	0.000	1	132.7379	0.466	9	133.1500	2.566	38	133.3248	3.472	60	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|B<3>,1|H<1>,2|C<4>,3|C<3>}	132.1420	0.000	1	132.7379	0.466	9	133.1500	2.566	38	133.3248	3.472	60	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<4>,3|C<3>}	132.3460	0.225	2	132.7379	0.466	9	133.1500	2.566	38	133.3248	3.472	60	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]C)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]C)(CH3){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|C<4>,3|C<3>,3|H<1>}	137.1620	0.000	1	137.1620	0.000	1	133.1500	2.566	38	133.3248	3.472	60	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]C)(CHHO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]C)(CHHO){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	134.7650	0.000	1	134.7650	0.000	1	133.1500	2.566	38	133.3248	3.472	60	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]C)(CHHO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]C)(CHHO){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|C<4>,3|C<3>,3|H<1>}	137.0190	0.000	1	137.0190	0.000	1	133.1500	2.566	38	133.3248	3.472	60	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]O[6a]H)(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]O[6a]H)(CCHH){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	133.9350	0.000	1	133.9350	0.000	1	133.1500	2.566	38	133.3248	3.472	60	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]O[6a]H)(CCHS)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]O[6a]H)(CCHS){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	135.1780	0.000	1	135.1780	0.000	1	133.1500	2.566	38	133.3248	3.472	60	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3){1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	135.5500	0.000	1	135.5500	0.000	1	133.1500	2.566	38	133.3248	3.472	60	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:Si-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Si)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]B)(SiC3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Si){1|Si<4>,1|B<3>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]B)(SiC3){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Si<4>,1|C<4>,2|H<1>,3|C<3>}	133.3545	0.234	2	133.3545	0.055	2	133.3545	0.055	2	133.3248	3.472	60	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(N[5a,6a]C[5a,6a]2)(CF3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[5a,6a]C){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(N[5a,6a]C[5a,6a]2)(CF3){1|N<2>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	135.5550	0.000	1	135.5550	0.000	1	135.5550	0.000	1	133.3248	3.472	60	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]C){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	133.4020	0.000	1	133.4020	0.000	1	134.1045	0.987	2	133.3248	3.472	60	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]C){1|C<4>,1|O<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){2|C<4>,2|H<1>,3|C<3>}	134.8070	0.000	1	134.8070	0.000	1	134.1045	0.987	2	133.3248	3.472	60	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[5a,6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3){1|N<3>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	131.6090	0.000	1	131.6090	0.000	1	131.6090	0.000	1	133.3248	3.472	60	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	N[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6,6a]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]N[5a,6,6a]C[5a,6a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]N[5a,6,6a]C[6a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6,6a]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,5|C<3>}	C[6a](C[5a,6a]N[5a,6,6a]C[5a,6a])(C[6a]C[6a]H)(CH3){5|C<3>}	C[5a,6a](C[5a,6a]N[5a,6,6a]C[6a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	133.4380	0.000	1	133.4380	0.000	1	133.4380	0.000	1	133.3248	3.472	60	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:4:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C-4:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(CC[6a]P[6]H)(C[6a]O[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(CC[6a]P[6]H)(C[6a]O[6a]H){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	134.6120	0.000	1	134.6120	0.000	1	134.6120	0.000	1	134.6120	0.000	1	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	4:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5]-4:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C[5])	C[6a](C[5]C[6a]C[5]O[5])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[5,6a]C[5,6a]C[5])	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C[5]){1|H<1>,2|O<2>,6|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O){2|O<2>,8|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[5,6a]C[5,6a]C[5]){3|C<4>,5|C<3>}	133.8230	0.000	1	133.8230	0.000	1	133.8230	0.000	1	133.8230	0.000	1	133.5801	3.559	3721	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]H){1|C<3>,1|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H){1|N<3>,2|H<1>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|C<4>,1|H<1>,2|N<2>}	139.8590	0.000	1	139.8590	0.000	1	139.8590	0.000	1	138.0708	13.526	6	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]O[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]O[6a]O){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|O<1>,1|O<2>,2|C<3>}	132.0480	0.000	1	132.0480	0.000	1	135.1480	7.221	3	138.0708	13.526	6	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]O[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a])(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]O[6a]O){1|C<3>,1|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|C<4>,1|N<2>,1|O<1>,1|O<2>}	136.6980	0.163	2	136.6980	0.026	2	135.1480	7.221	3	138.0708	13.526	6	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:1:	3:2:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(Cl)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(C[5a]N[5a]H){1|C<3>,1|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(Cl){1|H<1>,1|N<3>,1|S<2>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|Cl<1>,1|C<4>,2|N<2>}	141.5300	0.000	1	141.5610	0.002	2	141.5610	0.002	2	138.0708	13.526	6	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:1:	3:2:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(Cl)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(C[5a]N[5a]H){1|C<3>,1|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(Cl){1|H<1>,1|N<3>,1|S<4>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|Cl<1>,1|C<4>,2|N<2>}	141.5920	0.000	1	141.5610	0.002	2	141.5610	0.002	2	138.0708	13.526	6	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:O[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]O[5a]C)(C[6a]O[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CCH)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]O[5a]C)(C[6a]O[6a]O){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O){1|O<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CCH){1|O<1>,1|O<2>,2|C<3>}	128.7780	0.000	1	128.7780	0.000	1	128.7780	0.000	1	125.2275	25.212	2	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:S[5a]-2:N-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]S[5a]N)(C[6a]O[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(NHH)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]S[5a]N)(C[6a]O[6a]O){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O){1|N<3>,1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(NHH){1|O<1>,1|O<2>,2|C<3>}	121.6770	0.000	1	121.6770	0.000	1	121.6770	0.000	1	125.2275	25.212	2	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C)(C[6a]O[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C)(C[6a]O[6a]O){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	133.0370	0.000	1	133.0370	0.000	1	133.0370	0.000	1	133.0370	0.000	1	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|N<2>,2|H<1>,3|C<3>}	135.3330	0.000	1	135.3330	0.000	1	135.8206	0.453	5	134.4350	8.873	17	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(H){1|C<3>,1|N<2>,2|H<1>,2|N<3>}	135.0890	0.000	1	135.0890	0.000	1	135.8206	0.453	5	134.4350	8.873	17	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	135.9295	0.103	2	135.9295	0.011	2	135.8206	0.453	5	134.4350	8.873	17	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]N[6a]H){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H){1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(H){1|H<1>,1|N<2>,3|C<3>}	136.8220	0.000	1	136.8220	0.000	1	135.8206	0.453	5	134.4350	8.873	17	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C[5])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]H){1|C<3>,1|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H){1|N<3>,2|H<1>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C[5])(H){1|C<4>,1|O<2>,2|H<1>,2|N<2>}	138.8600	0.000	1	138.8600	0.000	1	138.8600	0.000	1	134.4350	8.873	17	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6])(C[5a]C[5a,6]H)(C[6a]O[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6])(C[5a]C[5a,6]H)(C[6a]O[6a]O){1|B<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H){1|B<4>,1|O<1>,1|O<2>,3|C<3>}	128.7070	0.000	1	128.7070	0.000	1	128.7070	0.000	1	134.4350	8.873	17	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]H)(C[6a]O[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]H)(C[6a]O[6a]O){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O){1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(H){1|O<1>,1|O<2>,3|C<3>}	132.2690	0.000	1	132.2690	0.000	1	132.2690	0.000	1	134.4350	8.873	17	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]O[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]O[6a]O){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(H){1|O<1>,1|O<2>,3|C<3>}	131.6660	0.000	1	131.6660	0.000	1	131.7825	0.027	2	134.4350	8.873	17	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]O[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]O[6a]O){1|C<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H){1|C<3>,1|O<1>,1|O<2>}	131.8990	0.000	1	131.8990	0.000	1	131.7825	0.027	2	134.4350	8.873	17	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(Cl)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(C[5a]C[5a]H){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(Cl){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|Cl<1>,1|N<2>,1|N<3>}	139.3980	0.000	1	139.3980	0.000	1	139.0565	0.233	2	134.4350	8.873	17	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(Cl)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|P<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(Cl){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(H){1|Cl<1>,1|H<1>,2|N<2>}	138.7150	0.000	1	138.7150	0.000	1	139.0565	0.233	2	134.4350	8.873	17	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:1:	3:3:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]N[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]N[6a]H){1|H<1>,1|S<2>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(H){1|H<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	132.3385	0.247	2	132.3385	0.061	2	132.3385	0.061	2	134.4350	8.873	17	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:1:	3:3:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a]-3:I-1:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]I)(C[6a]N[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(I)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]I)(C[6a]N[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(H){1|I<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(I){1|C<3>,1|N<2>,2|H<1>}	135.0170	0.000	1	135.0170	0.000	1	135.0170	0.000	1	134.4350	8.873	17	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:1:	3:3:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]O[6a]O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(O[6a]C[6a])(O)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]O[6a]O){1|C<3>,3|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(O[6a]C[6a])(O){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	132.3500	0.000	1	132.5420	0.074	2	132.5420	0.074	2	134.4350	8.873	17	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:1:	3:3:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]O[6a]O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(O[6a]C[6a])(O)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]O[6a]O){1|C<3>,3|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(O[6a]C[6a])(O){1|H<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	132.7340	0.000	1	132.5420	0.074	2	132.5420	0.074	2	134.4350	8.873	17	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a]-3:O-2:	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]O)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(OC)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]O)(C[6a]N[6a]H){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(H){2|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(OC){1|C<3>,1|H<1>,1|N<2>}	136.2330	0.000	1	136.2330	0.000	1	136.2330	0.000	1	134.4515	14.252	8	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]N[6a]H){4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H){1|C<3>,2|N<2>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|N<2>,3|C<3>,3|H<1>}	140.0230	0.000	1	140.0230	0.000	1	140.0230	0.000	1	134.4515	14.252	8	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a]-3:O-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]O)(C[6a]O[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a])(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(OH)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]O)(C[6a]O[6a]O){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a])(O){1|O<2>,1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(OH){1|C<3>,1|O<1>,1|O<2>}	128.1610	0.000	1	128.1610	0.000	1	128.1610	0.000	1	134.4515	14.252	8	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[6a]N[5a])(C[6a]O[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a])(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[6a]N[5a])(C[6a]O[6a]O){1|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a])(O){1|N<2>,1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a]){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	135.8000	0.000	1	136.7035	1.633	2	136.7035	1.633	2	134.4515	14.252	8	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[6a]N[5a])(C[6a]O[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a])(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[6a]N[5a])(C[6a]O[6a]O){4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a])(O){1|N<2>,1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a]){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	137.6070	0.000	1	136.7035	1.633	2	136.7035	1.633	2	134.4515	14.252	8	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[6a]O[5a])(C[6a]O[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[6a]O[5a])(C[6a]O[6a]O){5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O){1|O<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a]){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	131.0530	0.000	1	131.0530	0.000	1	131.0530	0.000	1	134.4515	14.252	8	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]N[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CC)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]N[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(H){1|C<2>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CC){1|C<3>,1|N<2>,2|H<1>}	133.7570	0.000	1	133.7570	0.000	1	133.7570	0.000	1	134.4515	14.252	8	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]S)(C[6a]N[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]S)(SS)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]S)(C[6a]N[6a]H){1|O<2>,1|S<2>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(H){1|S<2>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]S)(SS){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	132.9780	0.000	1	132.9780	0.000	1	132.9780	0.000	1	134.4515	14.252	8	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(COO)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(COO){1|N<2>,2|H<1>,3|C<3>}	134.9050	0.000	1	134.9050	0.000	1	134.9050	0.000	1	131.9077	2.590	18	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]O[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CHO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]O[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a])(H){1|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CHO){1|C<3>,1|O<2>,2|H<1>}	132.4190	0.000	1	132.4190	0.000	1	132.4190	0.000	1	131.9077	2.590	18	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]O[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]O[6a]O){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O){1|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|O<1>,1|O<2>,3|H<1>,5|C<3>}	131.8330	0.245	2	131.8330	0.060	2	132.7758	0.440	9	131.9077	2.590	18	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]O[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]O[6a]O){1|C<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O){1|O<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]2){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	133.3840	0.331	3	133.0450	0.290	5	132.7758	0.440	9	131.9077	2.590	18	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]O[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]O[6a]O){5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O){1|O<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]2){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	132.5365	0.282	2	133.0450	0.290	5	132.7758	0.440	9	131.9077	2.590	18	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]O[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]O[6a]O){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O){1|O<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(C[6a]C[6a]2){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	133.0455	0.120	2	133.0455	0.014	2	132.7758	0.440	9	131.9077	2.590	18	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]O[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5a]O[5a]N)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]O[6a]O){1|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O){1|O<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5a]O[5a]N){1|O<1>,2|O<2>,4|C<3>}	131.5810	0.000	1	131.5810	0.000	1	131.5810	0.000	1	131.9077	2.590	18	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5,5a])(C[5a]N[5,5a]C[6a])(C[6a]O[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5,5a]C[5,5a]C[5,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a,6a]C[5,5a])(C[5a]N[5,5a]C[6a])(C[6a]O[6a]O){1|C<4>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O){1|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5,5a]C[5,5a]C[5,6a])(C[6a]C[6a]2){1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	128.8380	0.000	1	128.8380	0.000	1	128.8380	0.000	1	131.9077	2.590	18	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:N[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]N[5a]C)(C[6a]O[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(COO)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]N[5a]C)(C[6a]O[6a]O){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O){1|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(COO){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	130.2950	0.000	1	130.2950	0.000	1	130.2950	0.000	1	131.9077	2.590	18	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]O[6a]O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(O[6a]C[6a,6a])(O)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(COO)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]O[6a]O){1|C<4>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(O[6a]C[6a,6a])(O){5|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(COO){1|O<1>,1|O<2>,2|C<3>}	130.5700	0.000	1	130.5700	0.000	1	130.3295	0.796	4	131.9077	2.590	18	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]O[6a]O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(O[6a]C[6a,6a])(O)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[5])(COO)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]O[6a]O){1|C<4>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(O[6a]C[6a,6a])(O){5|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[5])(COO){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	129.0520	0.000	1	129.0520	0.000	1	130.3295	0.796	4	131.9077	2.590	18	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]O[6a]O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(O[6a]C[6a,6a])(O)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])(COO)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]O[6a]O){1|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(O[6a]C[6a,6a])(O){5|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])(COO){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	130.8480	0.399	2	130.8480	0.159	2	130.3295	0.796	4	131.9077	2.590	18	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]O[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]O[6a]O){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O){1|C<4>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	131.1600	0.782	2	131.1600	0.612	2	131.2590	3.230	5	130.7885	3.912	6	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]O[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a])(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]O[6a]O){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a])(O){1|N<3>,2|C<3>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	132.1850	0.000	1	132.1850	0.000	1	131.2590	3.230	5	130.7885	3.912	6	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]O[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a])(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]O[6a]O){1|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a])(O){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|C<4>,1|N<2>,1|O<1>,1|O<2>}	133.2580	0.000	1	133.2580	0.000	1	131.2590	3.230	5	130.7885	3.912	6	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C)(C[6a]O[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a])(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CCHH)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C)(C[6a]O[6a]O){1|C<3>,1|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a])(O){1|C<4>,1|N<2>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CCHH){1|N<2>,1|O<1>,1|O<2>}	128.5320	0.000	1	128.5320	0.000	1	131.2590	3.230	5	130.7885	3.912	6	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:N[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]O[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a])(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]O[6a]O){1|I<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a])(O){1|C<4>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])(CH3){1|O<1>,1|O<2>,4|C<3>}	128.4360	0.000	1	128.4360	0.000	1	128.4360	0.000	1	130.7885	3.912	6	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:O-2:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC){1|H<1>,1|N<3>,1|S<2>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|C<4>,1|O<2>,2|N<2>}	140.2350	0.348	3	140.1356	0.208	7	140.1356	0.208	7	140.0076	0.887	21	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:O-2:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC){1|H<1>,1|N<3>,1|S<4>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|C<4>,1|O<2>,2|N<2>}	140.2615	0.308	2	140.1356	0.208	7	140.1356	0.208	7	140.0076	0.887	21	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:O-2:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC){1|N<3>,2|H<1>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|C<4>,1|O<2>,2|N<2>}	140.4520	0.000	1	140.1356	0.208	7	140.1356	0.208	7	140.0076	0.887	21	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:O-2:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC){1|H<1>,2|N<2>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|C<3>,1|O<2>,2|N<2>}	139.2690	0.000	1	140.1356	0.208	7	140.1356	0.208	7	140.0076	0.887	21	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:S-2:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]S)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(SC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]S){1|C<3>,1|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(SC){1|H<1>,1|N<3>,1|S<2>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|C<4>,1|S<2>,2|N<2>}	140.3496	0.486	11	140.2052	0.321	13	140.2052	0.321	13	140.0076	0.887	21	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:S-2:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]S)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(SC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]S){1|C<3>,1|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(SC){1|N<3>,2|H<1>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|C<4>,1|S<2>,2|N<2>}	139.4380	0.000	1	140.2052	0.321	13	140.2052	0.321	13	140.0076	0.887	21	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:S-2:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]S)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(SC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(SC){1|N<3>,2|H<1>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|H<1>,1|S<2>,2|N<2>}	139.3840	0.000	1	140.2052	0.321	13	140.2052	0.321	13	140.0076	0.887	21	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:2:	3:2:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:O-2:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a])(OC)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){1|C<4>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a])(OC){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>}	136.5420	0.000	1	136.5420	0.000	1	136.5420	0.000	1	140.0076	0.887	21	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:2:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:O-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(H){1|C<4>,1|O<2>,2|N<2>}	137.7200	0.000	1	137.7200	0.000	1	137.7200	0.000	1	138.0467	1.906	10	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:2:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:O-2:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC){1|N<3>,2|H<1>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H){1|O<2>,2|N<2>}	139.3875	0.111	2	139.3875	0.012	2	139.3875	0.012	2	138.0467	1.906	10	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:2:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:S-2:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]S)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(SC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]S){1|C<3>,1|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(SC){1|H<1>,1|N<3>,1|S<2>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H){1|S<2>,2|N<2>}	138.7875	0.009	2	138.7875	0.000	2	138.5440	0.107	5	138.0467	1.906	10	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:2:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:S-2:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]S)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(SC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C[5])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]S){1|C<3>,1|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(SC){1|H<1>,1|N<3>,1|S<2>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C[5])(H){1|C<4>,1|H<1>,1|O<2>,1|S<2>,2|N<2>}	138.3817	0.338	3	138.3817	0.114	3	138.5440	0.107	5	138.0467	1.906	10	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:2:	3:3:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:O-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a])(OC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]N[6a]O){1|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a])(OC){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	135.4600	0.000	1	135.4600	0.000	1	135.4600	0.000	1	138.0467	1.906	10	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:2:	3:3:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:O-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[5a,6a])(OC)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[5a,6a])(OC){1|H<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	135.7920	0.000	1	135.7920	0.000	1	135.7920	0.000	1	138.0467	1.906	10	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:2:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:O-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|C<4>,1|O<2>,2|N<2>}	138.3760	0.000	1	138.3760	0.000	1	138.3760	0.000	1	138.9345	0.624	2	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:2:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:S-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]S)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(SC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]S){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(SC){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|C<4>,1|S<2>,2|N<2>}	139.4930	0.000	1	139.4930	0.000	1	139.4930	0.000	1	138.9345	0.624	2	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:3:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-2:Br-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]Br)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(Br)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]Br)(C[6a]N[6a]N){1|C<3>,1|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|Br<1>,1|H<1>,1|N<3>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(Br){1|C<4>,1|N<3>,2|N<2>}	139.0170	0.000	1	139.1130	0.018	2	139.1130	0.018	2	139.0000	10.060	27	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:3:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-2:Br-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]Br)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(Br)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]Br)(C[6a]N[6a]N){1|C<3>,1|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|Br<1>,2|N<2>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(Br){1|C<4>,1|N<3>,2|N<2>}	139.2090	0.000	1	139.1130	0.018	2	139.1130	0.018	2	139.0000	10.060	27	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:3:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NC[6]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NC[6]C){1|H<1>,2|N<2>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|H<1>,1|N<3>,2|N<2>}	141.6450	0.000	1	141.6450	0.000	1	139.9829	1.141	15	139.0000	10.060	27	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:3:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NC[6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NC[6a]C){1|H<1>,2|N<2>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|H<1>,1|N<3>,2|N<2>}	140.7540	0.315	4	140.7540	0.100	4	139.9829	1.141	15	139.0000	10.060	27	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:3:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NC[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NC[6a]H){1|H<1>,2|N<2>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|H<1>,1|N<3>,2|N<2>}	139.6530	0.000	1	139.6530	0.000	1	139.9829	1.141	15	139.0000	10.060	27	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:3:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|H<1>,1|N<3>,1|S<2>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|C<4>,1|N<3>,2|N<2>}	138.5620	0.000	1	138.6704	0.098	5	139.9829	1.141	15	139.0000	10.060	27	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:3:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|N<3>,2|H<1>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|C<4>,1|N<3>,2|N<2>}	138.6975	0.354	4	138.6704	0.098	5	139.9829	1.141	15	139.0000	10.060	27	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:3:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHN){1|N<3>,2|H<1>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|C<4>,1|N<3>,2|N<2>}	140.4875	0.329	2	140.4875	0.108	2	139.9829	1.141	15	139.0000	10.060	27	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:3:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a])(NHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N){1|C<4>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a])(NHH){1|H<1>,1|N<3>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|C<4>,1|N<3>,2|N<2>}	140.5510	0.406	2	140.5510	0.165	2	139.9829	1.141	15	139.0000	10.060	27	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:3:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-2:I-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]I)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(I)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]I)(C[6a]N[6a]N){1|C<3>,1|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|H<1>,1|I<1>,1|N<3>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(I){1|C<4>,1|N<3>,2|N<2>}	138.6680	0.000	1	138.6680	0.000	1	138.6680	0.000	1	139.0000	10.060	27	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:3:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:S[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]H)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(H){1|H<1>,1|N<2>,2|N<3>}	128.8460	0.000	1	129.4635	0.763	2	129.4635	0.763	2	139.0000	10.060	27	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:3:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:S[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]H)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(H){1|C<4>,1|N<3>,2|N<2>}	130.0810	0.000	1	129.4635	0.763	2	129.4635	0.763	2	139.0000	10.060	27	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:N[5]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N[5])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(N[5]C[5]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N[5])(C[5a]N[5a]H){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(N[5]C[5]2){2|C<4>,2|N<2>,2|N<3>,5|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|H<1>,1|N<3>,2|N<2>}	140.6705	0.185	2	140.6650	0.165	6	140.6650	0.165	6	139.0000	10.060	27	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:N[5]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N[5])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(N[5]C[5]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N[5])(C[5a]N[5a]H){1|C<3>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(N[5]C[5]2){1|N<3>,1|S<2>,2|C<4>,2|N<2>,5|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|C<4>,1|N<3>,2|N<2>}	140.6623	0.513	4	140.6650	0.165	6	140.6650	0.165	6	139.0000	10.060	27	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:3:	3:2:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:O[5a]-2:O-1:	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[5a]O[5a]O)(C[6a]N[6a]N)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(NC[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(O[5a]N[5a])(O)	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[5a]O[5a]O)(C[6a]N[6a]N){2|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(NC[6a]H){1|N<2>,1|O<1>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(O[5a]N[5a])(O){1|C<3>,1|N<2>,1|N<3>}	133.4470	0.000	1	133.4470	0.000	1	133.4470	0.000	1	139.0000	10.060	27	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:3:	3:2:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-2:C-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]N[6a]N){1|C<3>,1|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<2>,1|H<1>,1|N<3>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC){1|C<4>,1|N<3>,2|N<2>}	138.0470	0.000	1	138.0470	0.000	1	138.0470	0.000	1	138.0470	0.000	1	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]N[6a]N){1|C<3>,1|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCH){1|C<4>,1|N<3>,2|N<2>}	139.3270	0.000	1	139.3270	0.000	1	139.3270	0.000	1	139.3270	0.000	1	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[5a]-3:Cl-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]Cl)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NCC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]Cl)(C[6a]N[6a]N){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NCC){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(Cl){1|H<1>,1|N<3>,2|N<2>}	143.3880	0.000	1	143.3880	0.000	1	140.0307	8.518	3	136.6530	5.797	28	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[5a]-3:Cl-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]Cl)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]Cl)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(Cl){1|C<4>,1|N<3>,2|N<2>}	138.0990	0.000	1	138.3520	0.128	2	140.0307	8.518	3	136.6530	5.797	28	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[5a]-3:Cl-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]Cl)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]Cl)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|Cl<1>,1|C<3>,1|N<2>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(Cl){1|C<4>,1|N<3>,2|N<2>}	138.6050	0.000	1	138.3520	0.128	2	140.0307	8.518	3	136.6530	5.797	28	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[5a]-3:F-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]F)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(F)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]F)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<3>,1|F<1>,1|H<1>,1|N<2>,1|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(F){1|C<4>,1|N<3>,2|N<2>}	138.1253	0.367	3	138.1253	0.135	3	138.1253	0.135	3	136.6530	5.797	28	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NC[4]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]N){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NC[4]C){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,1|N<3>,2|N<2>}	139.6070	0.000	1	139.6070	0.000	1	137.5810	3.707	3	136.6530	5.797	28	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<3>,1|F<1>,1|H<1>,1|N<2>,1|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<4>,1|N<3>,2|N<2>}	137.3610	0.000	1	136.5680	1.258	2	137.5810	3.707	3	136.6530	5.797	28	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<4>,1|N<3>,2|N<2>}	135.7750	0.000	1	136.5680	1.258	2	137.5810	3.707	3	136.6530	5.797	28	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[5a]-3:I-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]I)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(I)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]I)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|I<1>,1|N<2>,1|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(I){1|C<4>,1|N<3>,2|N<2>}	137.3133	1.330	3	137.3133	1.769	3	137.3133	1.769	3	136.6530	5.797	28	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C[5])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|N<3>,2|H<1>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C[5])(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|N<2>}	137.2640	0.000	1	137.2640	0.000	1	137.2640	0.000	1	136.6530	5.797	28	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:N[5]-3:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N[5])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(N[5]C[5]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N[5])(C[5a]N[5a]H){1|C<3>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(N[5]C[5]2){1|N<3>,1|S<2>,2|C<4>,2|N<2>,5|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H){1|N<3>,2|N<2>}	139.7385	0.452	2	139.7385	0.204	2	139.7385	0.204	2	136.6530	5.797	28	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:3:	3:3:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:C-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]H)(C[6a]N[6a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(CC[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]H)(C[6a]N[6a]C){4|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(CC[6a]O){1|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H){1|H<1>,1|N<2>,4|C<3>}	133.2260	0.000	1	133.2260	0.000	1	133.2260	0.000	1	136.6530	5.797	28	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:3:	3:3:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]N)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|N<3>,2|N<2>}	136.2770	0.000	1	136.2770	0.000	1	136.2770	0.000	1	136.6530	5.797	28	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:3:	3:3:1:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a,6])(C[6a]C[6a]N[6a])(C[5a]C[5a,6]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a,6])(C[6a]C[6a]N[6a])(C[5a]C[5a,6]H){1|C<4>,1|N<3>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	134.1450	0.878	2	134.1450	0.771	2	134.1450	0.771	2	136.6530	5.797	28	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:3:	3:3:1:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|N<2>,2|C<3>}	132.9070	0.000	1	134.7331	0.701	9	134.7331	0.701	9	136.6530	5.797	28	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:3:	3:3:1:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|N<2>,1|N<3>,2|C<3>}	134.5820	0.000	1	134.7331	0.701	9	134.7331	0.701	9	136.6530	5.797	28	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:3:	3:3:1:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|Cl<1>,2|H<1>,6|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,1|N<2>,2|C<3>}	134.5570	0.000	1	134.7331	0.701	9	134.7331	0.701	9	136.6530	5.797	28	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:3:	3:3:1:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|N<2>,3|H<1>,5|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,1|N<2>,2|C<3>}	134.4520	0.286	2	134.7331	0.701	9	134.7331	0.701	9	136.6530	5.797	28	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:3:	3:3:1:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,1|N<2>,2|C<3>}	135.4120	0.211	4	134.7331	0.701	9	134.7331	0.701	9	136.6530	5.797	28	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<2>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC){1|C<4>,1|N<3>,2|N<2>}	137.3860	0.000	1	137.3860	0.000	1	137.1065	0.156	2	137.1065	0.156	2	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<2>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN){1|N<2>,2|N<3>}	136.8270	0.000	1	136.8270	0.000	1	137.1065	0.156	2	137.1065	0.156	2	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N[5]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]N[6a]N[5])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(N[5]C[5]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]N[6a]N[5]){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(N[5]C[5]2){1|N<2>,1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,2|N<2>,3|C<3>}	139.1750	0.143	2	139.1750	0.020	2	139.1750	0.020	2	139.1750	0.020	2	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:3:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NCC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]N){1|C<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NCC){1|C<3>,1|N<2>,1|N<3>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|C<3>,1|N<3>,2|N<2>}	139.2070	0.000	1	139.2070	0.000	1	139.2070	0.000	1	135.1340	13.550	4	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:3:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[5a]-3:C[3]-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[3])(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[3]C[3]2H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[3])(C[6a]N[6a]N){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[3]C[3]2H){1|C<4>,1|N<3>,2|N<2>,4|H<1>}	136.7760	0.000	1	136.7760	0.000	1	136.7760	0.000	1	135.1340	13.550	4	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:O[6a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]O[6a])(C[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]O[6a])(C[5a]C[5a]C){1|C<4>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){1|O<2>,3|C<3>}	130.6900	0.000	1	130.6900	0.000	1	130.6900	0.000	1	135.1340	13.550	4	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:3:	3:3:4:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|N<2>,2|C<3>}	133.8630	0.000	1	133.8630	0.000	1	133.8630	0.000	1	135.1340	13.550	4	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:4:	3:2:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:O[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]O[5a]C)(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a])(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])(CCCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]O[5a]C)(C[6a]N[6a]C){1|N<3>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a])(CH3){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])(CCCH){1|C<3>,1|C<4>,1|N<2>}	136.5090	0.000	1	136.5090	0.000	1	136.5090	0.000	1	136.5090	0.000	1	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:4:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(CC3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]Br)(H)	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]N[6a]C){1|Br<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(CC3){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]Br)(H){1|C<3>,1|C<4>,1|N<2>}	131.6190	0.470	2	131.6190	0.220	2	132.7320	9.488	5	133.1816	6.933	7	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:4:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(CCCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]N[6a]C){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(CCCH){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H){1|C<3>,1|C<4>,1|N<2>}	129.6310	0.000	1	129.6310	0.000	1	132.7320	9.488	5	133.1816	6.933	7	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:4:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(CCCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]C){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(CCCH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<4>,1|H<1>,2|N<2>}	137.7880	0.000	1	137.7880	0.000	1	132.7320	9.488	5	133.1816	6.933	7	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:4:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]H)(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(CC[6a]HO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(H)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]H)(C[6a]N[6a]C){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(CC[6a]HO){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(H){1|C<4>,2|C<3>,2|N<2>}	133.0030	0.000	1	133.0030	0.000	1	132.7320	9.488	5	133.1816	6.933	7	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:4:	3:3:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]N[6a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(CCHH)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]N[6a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(CCHH){1|H<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	134.5430	0.000	1	134.5430	0.000	1	134.3055	0.113	2	133.1816	6.933	7	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:4:	3:3:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]N[6a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(CH3)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]N[6a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(CH3){1|H<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	134.0680	0.000	1	134.0680	0.000	1	134.3055	0.113	2	133.1816	6.933	7	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(CF3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]N[6a]C){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(CF3){1|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	137.1280	0.000	1	137.1280	0.000	1	137.1280	0.000	1	137.1280	0.000	1	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a,6,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:I-1:	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]N[5a]I)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6,6a]C[6a])(N[5a]N[5a,6])(I)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]N[5a]I)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|I<1>,1|N<2>,1|N<3>}	C[5a](C[5a,6a]C[5a,6,6a]C[6a])(N[5a]N[5a,6])(I){1|C<4>,1|H<1>,2|C<3>}	139.6040	0.000	1	139.6040	0.000	1	139.6040	0.000	1	134.9773	9.988	141	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:Br-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Br)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(Br)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Br)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|N<2>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(Br){1|C<4>,1|H<1>,2|C<3>}	136.4437	1.387	3	135.9186	1.486	5	135.8993	1.191	6	134.9773	9.988	141	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:Br-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Br)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(Br)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Br)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|N<2>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(Br){1|H<1>,3|C<3>}	135.1310	0.168	2	135.9186	1.486	5	135.8993	1.191	6	134.9773	9.988	141	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:Br-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Br)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(Br)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Br)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(Br){1|C<4>,1|H<1>,2|C<3>}	135.8030	0.000	1	135.8030	0.000	1	135.8993	1.191	6	134.9773	9.988	141	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:Cl-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(Cl){1|C<4>,1|H<1>,2|C<3>}	135.8320	0.000	1	135.8320	0.000	1	136.1395	0.247	11	134.9773	9.988	141	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:Cl-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|N<2>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(Cl){1|C<4>,1|H<1>,2|C<3>}	136.6907	0.158	3	136.4560	0.237	4	136.1395	0.247	11	134.9773	9.988	141	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:Cl-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|N<2>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(Cl){1|H<1>,3|C<3>}	135.7520	0.000	1	136.4560	0.237	4	136.1395	0.247	11	134.9773	9.988	141	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:Cl-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(Cl){1|C<4>,1|H<1>,2|C<3>}	136.0230	0.514	5	135.9798	0.223	6	136.1395	0.247	11	134.9773	9.988	141	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:Cl-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(Cl){2|C<3>,2|H<1>}	135.7640	0.000	1	135.9798	0.223	6	136.1395	0.247	11	134.9773	9.988	141	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){2|C<3>,2|H<1>}	135.5190	0.000	1	134.8025	1.027	2	135.5229	0.646	53	134.9773	9.988	141	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|H<1>,3|C<3>}	134.0860	0.000	1	134.8025	1.027	2	135.5229	0.646	53	134.9773	9.988	141	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){2|C<3>,2|H<1>}	135.3625	0.329	2	135.3625	0.108	2	135.5229	0.646	53	134.9773	9.988	141	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|C<4>,1|H<1>,2|C<3>}	134.8810	0.382	2	135.4896	0.532	34	135.5229	0.646	53	134.9773	9.988	141	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|C<4>,1|H<1>,2|C<3>}	136.3618	0.313	5	135.4896	0.532	34	135.5229	0.646	53	134.9773	9.988	141	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|C<4>,1|H<1>,2|C<3>}	136.5710	0.540	3	135.4896	0.532	34	135.5229	0.646	53	134.9773	9.988	141	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){2|C<3>,2|H<1>}	135.7160	0.000	1	135.4896	0.532	34	135.5229	0.646	53	134.9773	9.988	141	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){2|C<3>,2|H<1>}	135.5130	0.173	2	135.4896	0.532	34	135.5229	0.646	53	134.9773	9.988	141	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|H<1>,1|S<4>,2|C<3>}	134.9180	0.000	1	135.4896	0.532	34	135.5229	0.646	53	134.9773	9.988	141	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){2|C<3>,2|H<1>}	135.7360	0.000	1	135.4896	0.532	34	135.5229	0.646	53	134.9773	9.988	141	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|H<1>,3|C<3>}	135.2100	0.338	2	135.4896	0.532	34	135.5229	0.646	53	134.9773	9.988	141	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|H<1>,3|C<3>}	135.0796	0.602	14	135.4896	0.532	34	135.5229	0.646	53	134.9773	9.988	141	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){2|C<3>,2|H<1>}	135.7805	0.218	2	135.4896	0.532	34	135.5229	0.646	53	134.9773	9.988	141	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|H<1>,3|C<3>}	134.8710	0.000	1	135.4896	0.532	34	135.5229	0.646	53	134.9773	9.988	141	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|C<4>,1|H<1>,2|C<3>}	135.7108	0.512	9	135.5509	0.576	14	135.5229	0.646	53	134.9773	9.988	141	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>,1|S<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|H<1>,1|S<4>,2|C<3>}	134.8010	0.000	1	135.5509	0.576	14	135.5229	0.646	53	134.9773	9.988	141	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|N<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|H<1>,1|N<3>,2|C<3>}	134.7220	0.000	1	135.5509	0.576	14	135.5229	0.646	53	134.9773	9.988	141	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){2|C<3>,2|H<1>}	136.4030	0.119	2	135.5509	0.576	14	135.5229	0.646	53	134.9773	9.988	141	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|H<1>,3|C<3>}	133.9870	0.000	1	135.5509	0.576	14	135.5229	0.646	53	134.9773	9.988	141	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){2|C<3>,2|H<1>}	138.0230	0.000	1	138.0230	0.000	1	135.5229	0.646	53	134.9773	9.988	141	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:I-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]I)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(I)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]I)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|I<1>,1|N<3>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(I){1|C<3>,1|N<2>,2|H<1>}	138.5040	0.000	1	138.5040	0.000	1	138.5040	0.000	1	134.9773	9.988	141	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:O-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]O[5a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]O[5a]O)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,1|S<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<1>,2|O<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])(O){1|H<1>,1|S<4>,2|C<3>}	130.5090	0.000	1	130.5090	0.000	1	130.5090	0.000	1	134.9773	9.988	141	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(H){1|C<4>,1|H<1>,2|C<3>}	124.7760	0.000	1	124.7760	0.000	1	124.7760	0.000	1	134.9773	9.988	141	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:O-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]S[5a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]S[5a]O)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])(O){1|H<1>,3|C<3>}	125.7140	0.000	1	125.7140	0.000	1	125.7140	0.000	1	134.9773	9.988	141	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:S-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(S)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]S)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<1>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(S){1|H<1>,3|C<3>}	125.2240	0.000	1	125.2240	0.000	1	125.2240	0.000	1	134.9773	9.988	141	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[5a]-2:Br-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]Br)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(Br)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]Br)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O){1|Br<1>,2|N<2>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(Br){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	137.5960	0.000	1	137.5960	0.000	1	137.5960	0.000	1	134.9773	9.988	141	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|N<3>,2|H<1>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|H<1>,1|N<2>,1|N<3>,1|O<1>}	136.2300	0.000	1	135.8105	1.068	14	135.9926	0.948	18	134.9773	9.988	141	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){1|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|S<2>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	136.4217	0.265	9	135.8105	1.068	14	135.9926	0.948	18	134.9773	9.988	141	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){1|C<3>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|H<1>,1|N<2>,1|O<1>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|C<4>,1|O<1>,2|N<3>}	133.8635	0.042	2	135.8105	1.068	14	135.9926	0.948	18	134.9773	9.988	141	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){1|C<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|N<3>,2|H<1>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	134.7975	0.378	2	135.8105	1.068	14	135.9926	0.948	18	134.9773	9.988	141	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|S<2>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	136.6035	0.363	2	136.6298	0.048	4	135.9926	0.948	18	134.9773	9.988	141	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O){1|N<3>,2|H<1>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	136.6560	0.096	2	136.6298	0.048	4	135.9926	0.948	18	134.9773	9.988	141	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:S[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|S<2>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	127.2180	1.099	2	127.2180	1.207	2	127.2180	1.207	2	134.9773	9.988	141	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:O-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]O[5a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]O[5a]O){1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])2(H){2|O<1>,2|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(O){1|H<1>,1|O<1>,2|C<3>}	129.4173	0.292	12	129.4173	0.085	12	129.4173	0.085	12	134.9773	9.988	141	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6,6a]H)(C[5a]S[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6,6a]H)(C[5a]S[5a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,1|O<1>,1|S<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(H){2|C<3>,2|H<1>}	128.5120	0.567	4	128.5120	0.321	4	128.5120	0.321	4	134.9773	9.988	141	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H)(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H)(C[5a]N[5a]H){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|H<1>,1|N<2>,2|C<3>}	137.4765	0.149	2	137.5433	0.016	6	137.5433	0.016	6	134.9773	9.988	141	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H)(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H)(C[5a]N[5a]H){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|H<1>,1|N<2>,2|C<3>}	137.5768	0.119	4	137.5433	0.016	6	137.5433	0.016	6	134.9773	9.988	141	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:O-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H)(C[5a]O[5a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H)(C[5a]O[5a]O){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])(O){1|H<1>,1|N<2>,2|C<3>}	133.1310	0.000	1	133.1310	0.000	1	133.1310	0.000	1	134.9773	9.988	141	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Cl)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(C[5a]N[5a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|Cl<1>,1|C<4>,2|C<3>}	137.5170	0.000	1	137.5170	0.000	1	137.5170	0.000	1	134.9773	9.988	141	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:1:	N[5a,5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](N[5a,5a,6a]C[5a,5a]C[5a,6a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,5a,6a]C[6a])(N[5a]C[5a,5a])(H)	C[5a,6a](N[5a,5a,6a]C[5a,5a]C[5a,6a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,5a,6a]C[6a])(N[5a]C[5a,5a])(H){1|H<1>,3|C<3>}	144.9780	0.000	1	144.9780	0.000	1	144.9780	0.000	1	134.9773	9.988	141	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:Br-1:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]N[5a]Br)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(Br)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]N[5a]Br)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|Br<1>,1|N<2>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(Br){1|H<1>,3|C<3>}	135.5360	0.000	1	135.5360	0.000	1	135.5360	0.000	1	134.9773	9.988	141	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:Cl-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]Cl)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(Cl)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]Cl)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(Cl){1|C<4>,1|H<1>,2|C<3>}	136.8735	0.433	2	136.8735	0.188	2	136.8735	0.188	2	134.9773	9.988	141	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	136.5020	0.000	1	136.4585	0.004	2	137.6823	0.574	14	134.9773	9.988	141	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	136.4150	0.000	1	136.4585	0.004	2	137.6823	0.574	14	134.9773	9.988	141	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a])(H)	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a])(H){1|H<1>,2|C<3>}	137.6034	0.431	7	137.6034	0.186	7	137.6823	0.574	14	134.9773	9.988	141	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a])(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a])(H){1|H<1>,2|C<3>}	138.0080	0.000	1	138.2822	0.376	5	137.6823	0.574	14	134.9773	9.988	141	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a])(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|P<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a])(H){1|H<1>,2|C<3>}	138.5030	1.144	2	138.2822	0.376	5	137.6823	0.574	14	134.9773	9.988	141	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a])(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a])(H){1|H<1>,2|C<3>}	138.1985	0.088	2	138.2822	0.376	5	137.6823	0.574	14	134.9773	9.988	141	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:I-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]I)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(I)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]I)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|I<1>,1|N<2>,2|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(I){1|H<1>,3|C<3>}	135.5210	0.000	1	135.5210	0.000	1	135.5210	0.000	1	134.9773	9.988	141	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:1:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a,6a]-3:O-1:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[5a,6a]O)(C[5a]N[5a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[5a,6a]C[5a,6a]C[5a])(O)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[5a,6a]O)(C[5a]N[5a]H){1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[5a,6a]C[5a,6a]C[5a])(O){2|H<1>,2|N<2>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	131.6250	0.000	1	131.6250	0.000	1	131.6250	0.000	1	134.9773	9.988	141	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:2:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:N-2:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(S[5a]C[5a,6a])(NC)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]N)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(S[5a]C[5a,6a])(NC){1|H<1>,3|C<3>}	128.4892	0.543	5	128.4892	0.295	5	128.4892	0.295	5	132.9273	11.742	25	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:N[5a]-2:N-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(NN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]F){2|C<3>,2|F<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F){1|C<3>,1|F<1>,1|N<3>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(NN){1|F<1>,3|C<3>}	136.7390	1.404	3	136.7390	1.970	3	136.7390	1.970	3	132.9273	11.742	25	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:N-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(NN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(NN){2|C<3>,2|H<1>}	137.1600	0.000	1	137.1600	0.000	1	137.1600	0.000	1	132.9273	11.742	25	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:O-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(OC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(OC){1|C<4>,1|H<1>,2|C<3>}	135.8450	0.000	1	135.8450	0.000	1	135.4520	0.309	2	132.9273	11.742	25	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:O-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(OH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(OH){2|C<3>,2|H<1>}	135.0590	0.000	1	135.0590	0.000	1	135.4520	0.309	2	132.9273	11.742	25	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]O[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(NC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]O[5a]N)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(NC){1|H<1>,3|C<3>}	129.2630	0.375	2	129.2630	0.140	2	130.0952	2.227	5	132.9273	11.742	25	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]O[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(NC[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]O[5a]N)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(NC[6a]){1|H<1>,3|C<3>}	128.5750	0.000	1	128.5750	0.000	1	130.0952	2.227	5	132.9273	11.742	25	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]O[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(NO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]O[5a]N)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(NO){1|H<1>,3|C<3>}	131.6875	0.005	2	131.6875	0.000	2	130.0952	2.227	5	132.9273	11.742	25	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[5a]-2:S-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]S)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(SC)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]S)(C[6a]N[6a]O){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O){1|N<3>,1|O<2>,1|S<2>,2|C<3>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(SC){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	135.1160	0.000	1	135.1160	0.000	1	135.1845	0.009	2	132.9273	11.742	25	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[5a]-2:S-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]S)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]N)(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(SC)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]S)(C[6a]N[6a]O){1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]N)(O){1|S<2>,2|N<2>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(SC){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	135.2530	0.000	1	135.2530	0.000	1	135.1845	0.009	2	132.9273	11.742	25	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:O-2:	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a,6a]H)(C[5a]O[5a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(OC)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a,6a]H)(C[5a]O[5a]O){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,1|N<2>,2|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(OC){1|H<1>,1|N<2>,2|C<3>}	132.2590	0.000	1	132.2590	0.000	1	132.2590	0.000	1	132.9273	11.742	25	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:O-1:	C[5a,6a]-3:N[5a]-2:O-2:	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a,6a]O)(C[5a]N[5a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a])(OH)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a,6a]O)(C[5a]N[5a]O){1|C<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(O){1|H<1>,1|N<2>,1|N<3>,1|O<2>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a])(OH){1|C<3>,1|N<3>,1|O<1>}	131.0310	0.000	1	131.0310	0.000	1	131.0310	0.000	1	132.9273	11.742	25	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-2:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(CC)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(CC){1|H<1>,3|C<3>}	135.1720	0.880	2	135.1720	0.774	2	135.7637	1.437	3	132.9273	11.742	25	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a])(CN)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>,2|N<2>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a])(CN){1|H<1>,2|C<3>}	136.9470	0.000	1	136.9470	0.000	1	135.7637	1.437	3	132.9273	11.742	25	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:S-2:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(SC[5a])	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]S)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(SC[5a]){1|H<1>,3|C<3>}	135.5150	0.030	2	135.5150	0.001	2	135.5150	0.001	2	132.9273	11.742	25	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]O[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(O[5a]C[5a,6a])(CSiH)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]O[5a]C)(C[6a]C[6a]H){1|N<2>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]O)(H){2|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(O[5a]C[5a,6a])(CSiH){1|H<1>,3|C<3>}	135.3140	0.000	1	135.3140	0.000	1	135.3140	0.000	1	133.7781	9.705	84	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(S[5a]C[5a,6a])(CC[6a]H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]C)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(S[5a]C[5a,6a])(CC[6a]H){1|H<1>,3|C<3>}	129.8323	1.227	3	129.8323	1.507	3	129.8323	1.507	3	133.7781	9.705	84	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a]C[6a]S[5a])(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[5a,6a]H)(H){2|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){3|H<1>,5|C<3>}	134.0033	0.582	4	134.0033	0.339	4	134.0033	0.339	4	133.7781	9.705	84	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCH){2|C<3>,2|H<1>}	136.7565	1.225	2	136.7565	1.502	2	135.9934	1.547	33	133.7781	9.705	84	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCO){1|C<4>,1|H<1>,2|C<3>}	137.0900	0.000	1	137.0900	0.000	1	135.9934	1.547	33	133.7781	9.705	84	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[5]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[5]H){2|C<3>,2|H<1>}	134.9350	0.000	1	134.9350	0.000	1	135.9934	1.547	33	133.7781	9.705	84	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]O){2|C<3>,2|H<1>}	136.4245	0.012	2	136.4245	0.000	2	135.9934	1.547	33	133.7781	9.705	84	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CNO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CNO){1|C<4>,1|H<1>,2|C<3>}	135.4100	0.000	1	136.4099	0.314	7	135.9934	1.547	33	133.7781	9.705	84	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CNO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CNO){1|C<4>,1|H<1>,2|C<3>}	136.7315	0.249	4	136.4099	0.314	7	135.9934	1.547	33	133.7781	9.705	84	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CNO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CNO){1|C<4>,1|H<1>,2|C<3>}	136.2665	0.491	2	136.4099	0.314	7	135.9934	1.547	33	133.7781	9.705	84	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(COO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(COO){1|C<4>,1|H<1>,2|C<3>}	136.3006	0.345	16	135.7308	2.201	19	135.9934	1.547	33	133.7781	9.705	84	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(COO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(COO){2|C<3>,2|H<1>}	131.8010	0.416	2	135.7308	2.201	19	135.9934	1.547	33	133.7781	9.705	84	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(COO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(COO){1|H<1>,3|C<3>}	134.4740	0.000	1	135.7308	2.201	19	135.9934	1.547	33	133.7781	9.705	84	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(COO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(COO){1|C<4>,1|H<1>,2|C<3>}	135.6400	0.000	1	135.6400	0.000	1	135.9934	1.547	33	133.7781	9.705	84	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:N-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(NHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(NHH){1|H<1>,3|C<3>}	133.9510	0.000	1	133.9510	0.000	1	136.1217	3.540	3	133.7781	9.705	84	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:N-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(NOO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|C<3>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(NOO){1|H<1>,1|S<4>,2|C<3>}	137.2830	0.000	1	137.2830	0.000	1	136.1217	3.540	3	133.7781	9.705	84	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:N-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(NHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,2|C<3>,3|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(NHH){1|H<1>,1|N<3>,2|C<3>}	137.1310	0.000	1	137.1310	0.000	1	136.1217	3.540	3	133.7781	9.705	84	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:N[6]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(N[6]C[6]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(N[6]C[6]2){2|C<3>,2|C<4>,6|H<1>}	137.0610	0.872	4	137.0610	0.760	4	134.9382	11.291	6	133.7781	9.705	84	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:N[6]-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]N[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a])(N[6]C[6]2)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]N[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|S<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a])(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	130.6925	0.316	2	130.6925	0.100	2	134.9382	11.291	6	133.7781	9.705	84	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CCH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CCH){1|H<1>,1|N<2>,2|C<3>}	132.2185	1.176	2	131.1820	0.735	8	132.0555	2.198	23	133.7781	9.705	84	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CCH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CCH){1|H<1>,3|C<3>}	130.8365	0.423	6	131.1820	0.735	8	132.0555	2.198	23	133.7781	9.705	84	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CC[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CC[6a]C){1|H<1>,3|C<3>}	133.4600	0.000	1	133.4600	0.000	1	132.0555	2.198	23	133.7781	9.705	84	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CC[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CC[6a]H){1|H<1>,1|N<2>,2|C<3>}	131.2620	0.000	1	131.5133	0.284	9	132.0555	2.198	23	133.7781	9.705	84	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CC[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CC[6a]H){1|H<1>,3|C<3>}	131.5447	0.560	8	131.5133	0.284	9	132.0555	2.198	23	133.7781	9.705	84	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CC[6a]I)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CC[6a]I){1|H<1>,1|N<2>,2|C<3>}	133.1745	0.128	2	133.1745	0.016	2	132.0555	2.198	23	133.7781	9.705	84	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CC[6a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CC[6a]N){1|H<1>,3|C<3>}	132.9670	0.000	1	132.9670	0.000	1	132.0555	2.198	23	133.7781	9.705	84	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]O[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])(CCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]O[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|F<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])(CCH){1|H<1>,2|C<3>}	135.9620	0.000	1	135.9620	0.000	1	132.0555	2.198	23	133.7781	9.705	84	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]O[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])(CC[6a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]O[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])(CC[6a]O){1|H<1>,2|C<3>}	135.4630	0.000	1	135.4630	0.000	1	132.0555	2.198	23	133.7781	9.705	84	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[5]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]O[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(C[5]S[5]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]O[5a]C[5])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|S<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(C[5]S[5]2){1|H<1>,5|C<3>}	132.4335	0.084	2	132.4335	0.007	2	132.4335	0.007	2	133.7781	9.705	84	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(CCH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(CCH){1|H<1>,3|C<3>}	126.5670	0.298	2	126.5670	0.089	2	126.5790	0.112	6	133.7781	9.705	84	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(CC[5]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(CC[5]H){1|H<1>,3|C<3>}	126.4647	0.385	3	126.4647	0.148	3	126.5790	0.112	6	133.7781	9.705	84	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(CC[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]C)(C[6a]C[6a]H){1|C<3>,1|S<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(CC[6a]H){1|H<1>,1|S<1>,2|C<3>}	126.9460	0.000	1	126.9460	0.000	1	126.5790	0.112	6	133.7781	9.705	84	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]O)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]O){1|H<1>,3|C<3>}	135.7340	0.000	1	135.7340	0.000	1	136.3803	0.316	3	133.7781	9.705	84	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(COO)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(COO){1|H<1>,3|C<3>}	136.7035	0.071	2	136.7035	0.005	2	136.3803	0.316	3	133.7781	9.705	84	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCFF)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]F){1|C<3>,1|H<1>,2|F<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F){1|C<3>,1|C<4>,1|F<1>,1|N<2>,1|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCFF){1|F<1>,1|H<1>,2|C<3>}	137.6720	0.538	6	137.6720	0.289	6	137.0315	1.029	13	135.4898	11.121	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CF3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]F){1|B<4>,1|C<3>,2|F<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F){1|C<3>,1|C<4>,1|F<1>,1|N<2>,1|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CF3){1|B<4>,1|F<1>,2|C<3>}	136.2215	0.833	6	136.4826	1.056	7	137.0315	1.029	13	135.4898	11.121	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CF3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]F){1|C<3>,1|H<1>,2|F<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F){1|C<3>,1|C<4>,1|F<1>,1|N<2>,1|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CF3){1|F<1>,1|H<1>,2|C<3>}	138.0490	0.000	1	136.4826	1.056	7	137.0315	1.029	13	135.4898	11.121	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CF3)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CF3){2|C<3>,2|H<1>}	136.2780	0.000	1	136.2780	0.000	1	136.2846	1.809	27	135.4898	11.121	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|H<1>,2|C<3>,2|C<4>}	133.1920	0.000	1	133.1920	0.000	1	136.2846	1.809	27	135.4898	11.121	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH){2|C<3>,2|H<1>}	134.9320	0.000	1	134.9320	0.000	1	136.2846	1.809	27	135.4898	11.121	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CClHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CClHH){1|C<4>,1|H<1>,2|C<3>}	135.9265	0.388	2	135.9265	0.151	2	136.2846	1.809	27	135.4898	11.121	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CF3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CF3){2|C<3>,2|H<1>}	137.0380	0.000	1	137.0380	0.000	1	136.2846	1.809	27	135.4898	11.121	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|C<4>,1|H<1>,2|C<3>}	136.1130	0.000	1	134.9663	0.699	4	136.2846	1.809	27	135.4898	11.121	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){2|C<3>,2|H<1>}	134.9260	0.000	1	134.9663	0.699	4	136.2846	1.809	27	135.4898	11.121	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|H<1>,3|C<3>}	134.4130	0.409	2	134.9663	0.699	4	136.2846	1.809	27	135.4898	11.121	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]O[5a])(CC[5a]HH)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]O[5a])(CC[5a]HH){1|H<1>,2|C<3>}	136.5500	0.157	2	136.5500	0.025	2	136.2846	1.809	27	135.4898	11.121	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]O[5a])(CClHH)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]O[5a])(CClHH){1|H<1>,2|C<3>}	137.1350	0.000	1	137.1350	0.000	1	136.2846	1.809	27	135.4898	11.121	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]O[5a])(CHHS)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]O[5a])(CHHS){1|H<1>,2|C<3>}	136.2400	0.168	2	136.2400	0.028	2	136.2846	1.809	27	135.4898	11.121	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6])(CH3)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6])(CH3){1|H<1>,2|C<3>,2|C<4>}	133.4500	0.000	1	133.4500	0.000	1	136.2846	1.809	27	135.4898	11.121	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CF3)	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CF3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	137.4490	0.494	2	137.4490	0.244	2	136.2846	1.809	27	135.4898	11.121	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|C<3>,1|N<2>,2|H<1>}	138.1950	0.000	1	138.1950	0.000	1	136.2846	1.809	27	135.4898	11.121	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|C<3>,1|N<2>,2|H<1>}	137.2195	0.025	2	137.2195	0.001	2	136.2846	1.809	27	135.4898	11.121	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,2|N<2>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|H<1>,1|N<2>,2|C<3>}	136.7530	0.000	1	136.9587	0.043	3	136.2846	1.809	27	135.4898	11.121	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|H<1>,1|N<2>,2|C<3>}	136.9570	0.000	1	136.9587	0.043	3	136.2846	1.809	27	135.4898	11.121	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|H<1>,1|N<2>,2|C<3>}	137.1660	0.000	1	136.9587	0.043	3	136.2846	1.809	27	135.4898	11.121	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Cl<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|N<3>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|H<1>,1|N<2>,2|C<3>}	135.8660	0.000	1	135.8660	0.000	1	136.2846	1.809	27	135.4898	11.121	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|H<1>,1|N<2>,2|C<3>}	138.5450	0.000	1	138.5450	0.000	1	136.2846	1.809	27	135.4898	11.121	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]O[5a])(CH3)	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|O<2>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]O[5a])(CH3){1|C<3>,1|H<1>,1|N<2>}	137.5420	0.000	1	137.5420	0.000	1	136.2846	1.809	27	135.4898	11.121	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:Si-4:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]O[5a]Si)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(SiC3)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]O[5a]Si)(C[6a]C[6a]H){1|Si<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|Si<4>,1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(SiC3){1|Si<4>,1|H<1>,2|C<3>}	131.9030	0.000	1	131.9030	0.000	1	131.9030	0.000	1	135.4898	11.121	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(CCHH){2|C<3>,2|H<1>}	125.6550	0.000	1	125.6550	0.000	1	125.6550	0.000	1	135.4898	11.121	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:Si-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]Si)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(SiC3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]Si)(C[6a]C[6a]H){1|Si<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(SiC3){1|Si<4>,1|H<1>,2|C<3>}	125.5655	0.237	2	126.4780	1.146	4	126.4780	1.146	4	135.4898	11.121	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:Si-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]Si)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(SiC3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]Si)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(SiC3){2|C<3>,2|H<1>}	127.3905	0.227	2	126.4780	1.146	4	126.4780	1.146	4	135.4898	11.121	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]N[5a]O[6a])(C[5a]N[5a]C)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C[5a,6a](C[5a,6a]N[5a]O[6a])(C[5a]N[5a]C)(C[6a]C[6a]O){1|Cl<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(O){1|N<2>,1|N<3>,1|O<2>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|O<1>,1|O<2>,2|C<3>}	135.2475	0.506	2	135.2475	0.256	2	135.5427	0.389	3	135.4898	11.121	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]N[5a]O[6a])(C[5a]N[5a]C)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C[5a,6a](C[5a,6a]N[5a]O[6a])(C[5a]N[5a]C)(C[6a]C[6a]O){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(O){1|N<2>,1|N<3>,1|O<2>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|O<1>,1|O<2>,2|C<3>}	136.1330	0.000	1	136.1330	0.000	1	135.5427	0.389	3	135.4898	11.121	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]N[5a]C)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]N[6a])(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]O[5a])(CH3)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]N[5a]C)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]N[6a])(O){1|C<4>,1|N<2>,1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]O[5a])(CH3){1|C<3>,1|N<3>,1|O<1>}	136.0050	0.000	1	136.0050	0.000	1	136.0050	0.000	1	135.4898	11.121	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:S[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]C)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(CH3)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]C)(C[6a]N[6a]O){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|S<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(CH3){1|H<1>,1|O<1>,2|N<3>}	126.6430	0.229	2	126.6430	0.052	2	126.6430	0.052	2	135.4898	11.121	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]C){1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(H){1|C<4>,1|N<3>,2|C<3>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|H<1>,1|N<2>,2|C<3>}	134.6860	0.000	1	134.6860	0.000	1	135.4065	1.038	2	135.4898	11.121	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]C){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])2(H){2|C<4>,2|N<3>,3|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|H<1>,1|N<2>,2|C<3>}	136.1270	0.000	1	136.1270	0.000	1	135.4065	1.038	2	135.4898	11.121	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]H)(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]H)(C[5a]N[5a]C){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(H){1|N<3>,1|O<1>,2|N<2>,3|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC3){1|H<1>,1|N<2>,2|C<3>}	138.5300	0.000	1	138.5300	0.000	1	137.5120	0.355	8	135.4898	11.121	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]H)(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]H)(C[5a]N[5a]C){1|C<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|H<1>,1|N<2>,2|C<3>}	137.6490	0.000	1	137.3666	0.217	7	137.5120	0.355	8	135.4898	11.121	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]H)(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]H)(C[5a]N[5a]C){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(H){1|N<3>,1|O<1>,2|N<2>,3|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|H<1>,1|N<2>,2|C<3>}	137.3195	0.492	6	137.3666	0.217	7	137.5120	0.355	8	135.4898	11.121	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H)(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H)(C[5a]N[5a]C){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|H<1>,1|N<2>,2|C<3>}	136.8280	0.000	1	136.8280	0.000	1	136.8280	0.000	1	135.4898	11.121	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:O-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]N[5a]O[6a])(C[6a]C[6a,6a]O)(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C[5a,6a](C[5a,6a]N[5a]O[6a])(C[6a]C[6a,6a]O)(C[5a]N[5a]C){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(O){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|O<1>,1|O<2>,2|C<3>}	135.3510	0.000	1	135.3510	0.000	1	135.3510	0.000	1	135.4898	11.121	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:4:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(CC[5]HH)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(CC[5]HH){1|H<1>,3|C<3>}	137.0020	0.000	1	137.0020	0.000	1	137.0448	0.805	5	135.4898	11.121	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:4:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]HO)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]HO){1|H<1>,3|C<3>}	135.6490	0.000	1	135.6490	0.000	1	137.0448	0.805	5	135.4898	11.121	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:4:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|P<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|H<1>,2|C<3>}	137.7840	0.420	2	137.5243	0.290	3	137.0448	0.805	5	135.4898	11.121	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:4:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|H<1>,2|C<3>}	137.0050	0.000	1	137.5243	0.290	3	137.0448	0.805	5	135.4898	11.121	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:Cl-1:	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]Cl)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]N[5a,6]H)(Cl)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]Cl)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6,6a]C[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]N[5a,6]H)(Cl){1|C<4>,1|H<1>,2|C<3>}	137.6175	0.418	2	137.6175	0.175	2	137.6175	0.175	2	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]N[5a,6]H)(H)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]H)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]N[5a,6]H)(H){1|B<4>,1|H<1>,2|C<3>}	137.6625	0.054	2	137.6123	0.643	7	137.6123	0.643	7	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]N[5a,6]H)(H)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]H)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]N[5a,6]H)(H){1|H<1>,3|C<3>}	136.3070	0.000	1	137.6123	0.643	7	137.6123	0.643	7	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]N[5a,6]H)(H)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]N[5a,6]H)(H){1|C<4>,1|H<1>,2|C<3>}	137.9135	0.771	4	137.6123	0.643	7	137.6123	0.643	7	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[5a,6a]-3:O-1:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]Cl)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]Cl)(Cl)	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])2(O)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]Cl){1|Cl<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|O<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])2(O){2|Cl<1>,4|C<3>}	134.3890	0.000	1	134.3890	0.000	1	134.3890	0.000	1	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:O-1:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])2(O)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])2(O){2|H<1>,4|C<3>}	136.0566	0.917	8	136.0566	0.840	8	136.0566	0.840	8	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[5a,6a]H)(H){1|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]H)(H){1|H<1>,3|C<3>}	139.9350	0.404	2	139.9350	0.164	2	138.0760	4.670	4	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]N[5a,6a]C)(H)	C[5a,6a](C[5a,6a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]N[5a,6a]C)(H){1|H<1>,3|C<3>}	136.1120	0.000	1	136.1120	0.000	1	138.0760	4.670	4	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]N[5a,6a]H)(H)	C[5a,6a](C[5a,6a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]N[5a,6a]H)(H){1|H<1>,3|C<3>}	136.3220	0.000	1	136.3220	0.000	1	138.0760	4.670	4	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:O-1:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(O)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]O)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(O){1|H<1>,5|C<3>}	134.7750	0.000	1	134.7750	0.000	1	134.7750	0.000	1	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a]N[5a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[5a,6a]C[5a])(H)	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a]C[5a,6a]C)(O)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a]N[5a]O)(C[6a]C[6a]H){1|C<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[5a,6a]C[5a])(H){1|O<1>,1|S<2>,2|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a]C[5a,6a]C)(O){1|H<1>,3|C<3>}	139.8220	0.000	1	139.8220	0.000	1	139.8220	0.000	1	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[5,6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[5,6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H){2|H<1>,4|C<3>}	132.0520	0.000	1	132.0520	0.000	1	132.0520	0.000	1	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[5,6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[5,6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H){1|H<1>,1|N<2>,4|C<3>}	130.9150	0.000	1	131.6700	1.140	2	131.6700	1.140	2	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[5,6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[5,6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H){2|H<1>,4|C<3>}	132.4250	0.000	1	131.6700	1.140	2	131.6700	1.140	2	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:O-1:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]C[5a,5a]O)(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[5a])(H)	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(O)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]C[5a,5a]O)(C[6a]C[5a,6a]H){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[5a])(H){1|O<1>,1|S<2>,5|C<3>}	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(O){1|S<2>,2|H<1>,3|C<3>}	128.3650	0.000	1	128.3650	0.000	1	128.3650	0.000	1	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:I-1:	C[5a,6a]-3:C[5a,6a]-3:O-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[5a,6a]I)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2)(I)	C[5a](C[5a,6a]C[5a,6a]C[6a])2(O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[5a,6a]I){1|I<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2)(I){1|O<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])2(O){1|F<1>,1|I<1>,4|C<3>}	127.2550	0.000	1	127.2550	0.000	1	127.2550	0.000	1	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5a,6a]-3:O-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F)	C[5a](C[5a,6a]C[5a,6a]C[6a])2(O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]F){2|F<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F){1|F<1>,1|O<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])2(O){1|F<1>,1|I<1>,4|C<3>}	126.7880	0.000	1	126.7880	0.000	1	126.7880	0.000	1	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]F){1|Pt<4>,2|C<3>,2|F<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F){1|F<1>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H){1|Pt<4>,1|F<1>,1|N<3>,3|C<3>}	134.0420	0.000	1	134.0420	0.000	1	134.2385	0.077	2	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(F)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]F){1|Pt<4>,1|F<1>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(F){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H){1|Pt<4>,1|F<1>,1|N<3>,3|C<3>}	134.4350	0.000	1	134.4350	0.000	1	134.2385	0.077	2	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5a]-3:I-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(F)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(I)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]F){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(F){1|H<1>,1|I<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(I){1|F<1>,3|C<3>}	134.8000	0.000	1	134.8000	0.000	1	134.8000	0.000	1	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:N[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]H)(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]H)(C[6a]C[6a]F){1|B<4>,2|C<3>,2|F<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F){1|F<1>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(H){1|N<3>,3|C<3>,3|F<1>}	132.7200	0.000	1	132.7200	0.000	1	132.7200	0.000	1	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a](C[5a,5a]N[5a,5a]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]H){1|Cl<1>,1|B<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,5a]N[5a,5a]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H){1|B<4>,1|H<1>,1|N<3>,3|C<3>}	133.9140	0.000	1	133.9140	0.000	1	133.6083	0.905	9	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a](C[5a,5a]N[5a,5a]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]H){1|B<4>,1|F<1>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,5a]N[5a,5a]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H){1|B<4>,1|H<1>,1|N<3>,3|C<3>}	133.4465	0.599	2	133.4465	0.359	2	133.6083	0.905	9	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,5a]N[5a,5a]B[5a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,5a]N[5a,5a]B[5a])(C[5a,6a]C[5a,6a]C[6a])(H){2|Cl<1>,1|H<1>,1|N<3>,3|C<3>}	132.4600	0.000	1	132.4600	0.000	1	133.6083	0.905	9	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(H){1|B<4>,1|N<3>,2|C<3>,2|H<1>}	135.0250	0.530	2	135.0250	0.281	2	133.6083	0.905	9	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	132.9230	0.000	1	132.9230	0.000	1	133.6083	0.905	9	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,4|C<3>}	132.8230	0.000	1	132.8230	0.000	1	133.6083	0.905	9	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,5a]N[5a,5a]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]H){1|B<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,5a]N[5a,5a]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H){1|B<4>,1|H<1>,1|N<3>,3|C<3>}	133.4120	0.000	1	133.4120	0.000	1	133.6083	0.905	9	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:O-1:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]C[5a,5a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(O)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]C[5a,5a]O)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(O){1|H<1>,4|C<3>}	128.4437	0.200	6	128.4437	0.040	6	128.4437	0.040	6	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	133.8280	0.013	2	133.8280	0.000	2	133.9744	0.271	5	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	134.4200	0.000	1	134.4200	0.000	1	133.9744	0.271	5	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	134.5420	0.000	1	133.8980	0.829	2	133.9744	0.271	5	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	133.2540	0.000	1	133.8980	0.829	2	133.9744	0.271	5	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:Br-1:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]Br)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(Br)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]Br)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(Br){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	134.0710	0.000	1	134.0710	0.000	1	134.0710	0.000	1	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:Cl-1:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]Cl)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5,6])(Cl)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]Cl)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5,6])(Cl){2|C<4>,2|H<1>,3|C<3>}	135.7030	0.000	1	135.7030	0.000	1	134.6335	0.363	6	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:Cl-1:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]Cl)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5,6])(Cl)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5,6])(Cl){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	134.3120	0.000	1	134.3120	0.000	1	134.6335	0.363	6	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:Cl-1:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]Cl)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5,6])(Cl)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]Cl)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5,6])(Cl){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	134.4750	0.000	1	134.4750	0.000	1	134.6335	0.363	6	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:Cl-1:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]Cl)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5,5])(Cl)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]Cl)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5,5])(Cl){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	134.8460	0.000	1	134.8460	0.000	1	134.6335	0.363	6	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:Cl-1:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]Cl)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5,6])(Cl)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]Cl)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5,6])(Cl){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	134.5270	0.000	1	134.2325	0.173	2	134.6335	0.363	6	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:Cl-1:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]Cl)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5,6])(Cl)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]Cl)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5,6])(Cl){2|C<4>,2|H<1>,3|C<3>}	133.9380	0.000	1	134.2325	0.173	2	134.6335	0.363	6	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]C[5,5a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5,5a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H){1|H<1>,5|C<3>}	128.5480	0.000	1	128.5480	0.000	1	133.1393	2.337	21	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(H){1|H<1>,1|O<1>,4|C<3>}	132.6470	0.000	1	132.6470	0.000	1	133.1393	2.337	21	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(H){1|C<4>,2|H<1>,4|C<3>}	133.7100	0.000	1	133.7100	0.000	1	133.1393	2.337	21	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5,5])(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5,5])(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	133.5820	0.000	1	133.3850	0.078	2	133.1393	2.337	21	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5,5])(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5,5])(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	133.1880	0.000	1	133.3850	0.078	2	133.1393	2.337	21	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5,6])(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5,6])(H){1|H<1>,2|C<3>,4|C<4>}	134.9670	0.000	1	134.0215	1.788	2	133.1393	2.337	21	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5,6])(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5,6])(H){1|H<1>,1|N<3>,5|C<3>}	133.0760	0.000	1	134.0215	1.788	2	133.1393	2.337	21	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	134.4040	0.000	1	133.8498	0.327	8	133.1393	2.337	21	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(H){1|H<1>,3|C<3>,3|C<4>}	133.4930	0.000	1	133.8498	0.327	8	133.1393	2.337	21	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	133.2300	0.000	1	133.8498	0.327	8	133.1393	2.337	21	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(H){1|H<1>,1|N<3>,5|C<3>}	133.9010	0.000	1	133.8498	0.327	8	133.1393	2.337	21	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(H){1|H<1>,2|C<4>,3|C<3>}	134.9490	0.000	1	133.8498	0.327	8	133.1393	2.337	21	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(H){1|C<4>,1|H<1>,4|C<3>}	133.4700	0.000	1	133.8498	0.327	8	133.1393	2.337	21	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(H){1|H<1>,1|N<3>,4|C<3>}	133.6755	0.237	2	133.8498	0.327	8	133.1393	2.337	21	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]N[5])(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]N[5])(H){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	133.7113	0.487	3	133.7113	0.237	3	133.1393	2.337	21	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]Se[5])(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){1|Se<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]Se[5])(H){1|H<1>,4|C<3>}	132.3320	0.139	2	132.3320	0.019	2	133.1393	2.337	21	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){2|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(H){1|H<1>,1|O<1>,4|C<3>}	129.6110	0.000	1	129.6110	0.000	1	133.1393	2.337	21	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:Br-1:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]Br)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(Br)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]Br)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(Br){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	133.9270	0.000	1	134.1870	0.135	2	134.1870	0.135	2	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:Br-1:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]Br)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(Br)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]Br)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(Br){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	134.4470	0.000	1	134.1870	0.135	2	134.1870	0.135	2	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:Cl-1:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]Cl)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(Cl)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(Cl){2|C<4>,2|H<1>,3|C<3>}	134.2330	0.000	1	134.2330	0.000	1	134.2330	0.000	1	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[3,6])(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[3,6])(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	132.5390	0.000	1	132.5390	0.000	1	133.5325	0.821	38	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]N[6])(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]N[6])(H){1|C<4>,1|H<1>,4|C<3>}	132.0100	0.000	1	132.0100	0.000	1	133.5325	0.821	38	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[5,6])(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[5,6])(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	134.5763	0.206	4	134.0119	0.597	7	133.5325	0.821	38	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[5,6])(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[5,6])(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	133.0690	0.000	1	134.0119	0.597	7	133.5325	0.821	38	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[5,6])(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[5,6])(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	133.3545	0.651	2	134.0119	0.597	7	133.5325	0.821	38	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H){1|B<4>,1|H<1>,4|C<3>}	133.6617	0.338	3	133.4528	0.802	27	133.5325	0.821	38	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	134.8860	0.000	1	133.4528	0.802	27	133.5325	0.821	38	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	134.7090	0.000	1	133.4528	0.802	27	133.5325	0.821	38	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H){2|C<3>,2|C<4>,3|H<1>}	134.1703	0.403	3	133.4528	0.802	27	133.5325	0.821	38	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	134.3940	0.000	1	133.4528	0.802	27	133.5325	0.821	38	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H){1|C<4>,1|H<1>,4|C<3>}	134.1830	0.000	1	133.4528	0.802	27	133.5325	0.821	38	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H){1|C<4>,2|H<1>,3|C<3>}	134.2370	0.130	2	133.4528	0.802	27	133.5325	0.821	38	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H){1|C<4>,2|H<1>,4|C<3>}	133.1107	0.739	3	133.4528	0.802	27	133.5325	0.821	38	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	132.5020	0.443	2	133.4528	0.802	27	133.5325	0.821	38	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	133.8970	0.000	1	133.4528	0.802	27	133.5325	0.821	38	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H){1|H<1>,3|C<3>,3|C<4>}	133.0845	0.390	2	133.4528	0.802	27	133.5325	0.821	38	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H){1|H<1>,5|C<3>}	131.2120	0.000	1	133.4528	0.802	27	133.5325	0.821	38	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	133.9440	0.000	1	133.4528	0.802	27	133.5325	0.821	38	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H){1|C<4>,1|H<1>,4|C<3>}	133.0750	0.000	1	133.4528	0.802	27	133.5325	0.821	38	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	132.6125	0.082	4	133.4528	0.802	27	133.5325	0.821	38	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]O[6])(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]O[6])(H){1|C<4>,1|H<1>,3|C<3>}	134.2950	0.000	1	134.2950	0.000	1	133.5325	0.821	38	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H){1|C<4>,1|H<1>,4|C<3>}	134.0830	0.000	1	134.0830	0.000	1	133.5325	0.821	38	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:Cl-1:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]Cl)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(Cl)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]Cl)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(Cl){1|H<1>,5|C<3>}	133.5000	0.000	1	133.5000	0.000	1	133.5000	0.000	1	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	134.0220	0.484	2	134.0485	0.114	4	133.0738	1.320	23	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	134.0750	0.327	2	134.0485	0.114	4	133.0738	1.320	23	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	133.0970	0.000	1	133.0970	0.000	1	133.0738	1.320	23	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	134.0720	0.000	1	132.5267	1.462	4	133.0738	1.320	23	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	132.6410	0.000	1	132.5267	1.462	4	133.0738	1.320	23	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){2|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	131.6970	0.781	2	132.5267	1.462	4	133.0738	1.320	23	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[6a])(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[6a])(H){1|H<1>,4|C<3>}	132.7630	0.000	1	132.7630	0.000	1	133.0738	1.320	23	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	132.1070	0.000	1	132.1070	0.000	1	133.0738	1.320	23	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H){2|H<1>,4|C<3>}	132.3540	0.000	1	132.3540	0.000	1	133.0738	1.320	23	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	133.5380	0.000	1	132.9951	0.244	7	133.0738	1.320	23	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	132.5380	0.000	1	132.9951	0.244	7	133.0738	1.320	23	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	132.9160	0.508	2	132.9951	0.244	7	133.0738	1.320	23	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H){2|H<1>,4|C<3>}	133.0193	0.586	3	132.9951	0.244	7	133.0738	1.320	23	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[6a])(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[6a])(H){1|C<4>,1|H<1>,4|C<3>}	131.8160	0.000	1	131.8160	0.000	1	133.0738	1.320	23	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	130.9950	0.000	1	130.9950	0.000	1	133.0738	1.320	23	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H){1|H<1>,1|N<2>,4|C<3>}	134.2160	0.000	1	134.2160	0.000	1	133.0738	1.320	23	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,1|N<2>,4|C<3>}	136.0820	0.000	1	136.0820	0.000	1	133.0738	1.320	23	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:O-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|O<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(O){1|H<1>,1|N<2>,3|C<3>}	128.6630	0.000	1	128.6630	0.000	1	128.6258	0.880	24	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:O-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(O){1|H<1>,5|C<3>}	129.8560	0.000	1	129.8560	0.000	1	128.6258	0.880	24	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:O-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(O){1|H<1>,5|C<3>}	128.4163	0.557	9	128.4163	0.310	9	128.6258	0.880	24	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:O-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])2(O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])2(O){1|H<1>,1|N<2>,4|C<3>}	129.0305	0.408	2	128.3806	0.222	12	128.6258	0.880	24	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:O-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])2(O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])2(O){1|C<2>,1|H<1>,4|C<3>}	129.0960	0.000	1	128.3806	0.222	12	128.6258	0.880	24	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:O-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])2(O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])2(O){1|H<1>,5|C<3>}	128.1567	0.242	9	128.3806	0.222	12	128.6258	0.880	24	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:O-1:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])2(O)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])2(O){2|C<3>,2|H<1>,2|N<3>}	132.1870	0.000	1	132.1870	0.000	1	128.6258	0.880	24	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:Br-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(Br)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|Br<1>,1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(Br){1|C<4>,1|H<1>,2|C<3>}	134.6510	0.000	1	134.6510	0.000	1	133.7658	0.545	19	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:Br-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(Br)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){2|Br<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(Br){1|C<4>,1|H<1>,2|C<3>}	135.3090	0.000	1	134.7210	0.691	2	133.7658	0.545	19	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:Br-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(Br)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H){1|Br<1>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){2|Br<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(Br){2|C<3>,2|H<1>}	134.1330	0.000	1	134.7210	0.691	2	133.7658	0.545	19	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:Br-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(Br)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(Br){1|H<1>,1|S<4>,2|C<3>}	133.3435	0.224	10	133.3435	0.050	10	133.7658	0.545	19	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:Br-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(Br)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(Br){1|C<4>,1|H<1>,2|C<3>}	134.4605	0.697	2	134.0430	0.973	5	133.7658	0.545	19	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:Br-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(Br)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(Br){1|C<4>,1|H<1>,2|C<3>}	134.4425	0.262	2	134.0430	0.973	5	133.7658	0.545	19	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:Br-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(Br)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(Br){1|H<1>,3|C<3>}	132.4090	0.000	1	134.0430	0.973	5	133.7658	0.545	19	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:Br-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]S)(Br)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H){1|C<3>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]S)(Br){1|H<1>,2|C<3>}	133.8080	0.000	1	133.8080	0.000	1	133.7658	0.545	19	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:Cl-1:	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(Cl)	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|Cl<1>,1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(Cl){1|H<1>,2|C<3>}	128.5670	0.045	2	128.5670	0.002	2	130.7113	5.566	9	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:Cl-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(Cl){1|H<1>,1|S<4>,2|C<3>}	133.5370	0.000	1	133.5370	0.000	1	130.7113	5.566	9	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:Cl-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[5])(Cl)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[5])(Cl){2|H<1>,4|C<3>}	135.6580	0.000	1	135.6580	0.000	1	130.7113	5.566	9	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:Cl-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(Cl)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(Cl){1|H<1>,2|C<3>}	130.0860	0.417	3	130.0146	0.112	5	130.7113	5.566	9	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:Cl-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(Cl)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(Cl){1|H<1>,2|C<3>}	129.9075	0.247	2	130.0146	0.112	5	130.7113	5.566	9	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5,6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]Br)(H)	C[5a,6a](C[5a,6a]C[5,6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5,6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]Br)(H){1|H<1>,2|C<3>}	135.6230	0.000	1	135.6230	0.000	1	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5,6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(H)	C[5a,6a](C[5a,6a]C[5,6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5,6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(H){1|H<1>,2|C<3>}	135.3890	0.000	1	135.3890	0.000	1	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]C)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H){1|H<1>,2|C<3>}	129.7710	0.000	1	129.7710	0.000	1	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,1|S<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H){1|H<1>,2|C<3>}	129.3930	0.000	1	129.3930	0.000	1	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H){1|H<1>,2|C<3>}	129.2755	0.467	2	129.3980	0.154	3	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H){1|H<1>,2|C<3>}	129.6430	0.000	1	129.3980	0.154	3	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6,6,6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6,6,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])(H)	C[5a,6a](C[5a,6a]C[6,6,6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6,6,6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	135.8762	0.545	4	135.8762	0.297	4	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6,6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[6,6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6,6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(H){1|H<1>,4|C<3>}	135.5900	0.361	2	135.5900	0.130	2	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6,6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6,6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(H)	C[5a,6a](C[5a,6a]C[6,6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6,6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(H){1|H<1>,2|C<3>}	134.9300	0.000	1	134.9300	0.000	1	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,5|C<3>}	132.6780	0.000	1	133.7467	0.620	4	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){2|H<1>,4|C<3>}	134.1030	0.410	3	133.7467	0.620	4	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	132.3290	0.000	1	132.3290	0.000	1	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]F)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|F<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]F)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(H){1|H<1>,4|C<3>}	126.5320	0.000	1	126.5320	0.000	1	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(H){1|H<1>,4|C<3>}	129.2040	0.899	4	129.2040	0.809	4	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H){1|H<1>,2|C<3>}	129.3667	0.627	3	128.7720	1.418	6	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H){1|H<1>,2|C<3>}	128.1773	1.446	3	128.7720	1.418	6	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H){1|H<1>,2|C<3>}	128.6350	0.457	5	128.6350	0.209	5	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a]C[6a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a]C[6a])(H){1|N<3>,1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	135.5910	0.000	1	135.2160	0.281	2	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a]C[6a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a]C[6a])(H){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){2|C<3>,2|H<1>}	134.8410	0.000	1	135.2160	0.281	2	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,5|C<3>}	134.0820	0.000	1	134.0820	0.000	1	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,3|C<3>}	134.0080	0.000	1	134.0080	0.000	1	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){2|C<3>,2|H<1>}	133.9430	0.000	1	133.9430	0.000	1	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){2|C<3>,2|H<1>}	133.8150	0.000	1	133.8150	0.000	1	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	133.3830	0.000	1	133.8765	0.487	2	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Br<1>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){2|C<3>,2|H<1>}	134.3700	0.000	1	133.8765	0.487	2	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5,6]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5,6]N[5a])(H){2|C<3>,2|C<4>,3|H<1>}	135.0290	0.000	1	135.0290	0.000	1	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|C<2>,1|H<1>,4|C<3>}	134.2700	0.000	1	133.6587	5.104	4	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,1|S<4>,4|C<3>}	133.4550	2.721	3	133.6587	5.104	4	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){2|C<3>,2|H<1>}	134.4540	0.000	1	134.3365	0.028	2	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){2|C<3>,2|H<1>}	134.2190	0.000	1	134.3365	0.028	2	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	134.2160	0.000	1	133.8982	1.925	12	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,3|C<3>}	133.6090	0.000	1	133.8982	1.925	12	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){2|C<3>,2|H<1>}	134.9490	0.000	1	133.8982	1.925	12	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|P<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,1|P<3>,2|C<3>}	131.2740	0.000	1	133.8982	1.925	12	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	134.6117	0.044	3	133.8982	1.925	12	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,1|P<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,1|P<4>,2|C<3>}	130.8330	0.000	1	133.8982	1.925	12	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){2|C<3>,2|H<1>}	134.5865	0.728	2	133.8982	1.925	12	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,3|C<3>}	134.4450	0.000	2	133.8982	1.925	12	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Ir)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|Ir<6>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Ir)(H){1|Ir<6>,1|H<1>,2|C<3>}	135.2410	0.000	1	135.2410	0.000	1	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[5])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[5])(H){2|C<3>,2|H<1>,3|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){2|C<3>,2|H<1>}	134.1320	0.000	1	134.1320	0.000	1	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[6])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[6])(H){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){2|C<3>,2|H<1>}	134.0735	0.216	2	134.0735	0.047	2	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H){1|N<3>,2|H<1>,3|C<3>}	133.8760	0.000	1	133.8760	0.000	1	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){2|C<3>,2|H<1>}	133.8040	0.202	2	133.8040	0.041	2	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,1|S<4>,2|C<3>}	133.1890	0.000	1	133.1890	0.000	1	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Si)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Cl<1>,1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Si)(H){1|C<4>,1|H<1>,2|C<3>}	134.6898	0.179	4	134.6898	0.032	4	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|F<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){2|C<3>,2|H<1>}	133.6835	0.295	2	133.6835	0.087	2	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Pt<5>,1|F<1>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H){1|Pt<5>,1|H<1>,1|N<3>,3|C<3>}	133.9580	0.000	1	133.9580	0.000	1	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|F<1>,1|H<1>,1|P<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,1|P<4>,2|C<3>}	130.1050	0.000	1	131.5190	3.999	2	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|F<1>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,3|C<3>}	132.9330	0.000	1	131.5190	3.999	2	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[3,6]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[3,6]N[5a])(H){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	132.9555	0.388	2	132.9555	0.151	2	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	134.2600	0.000	1	134.4809	0.389	13	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H){1|C<4>,1|H<1>,4|C<3>}	134.9110	0.146	2	134.4809	0.389	13	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	133.7825	0.332	2	134.4809	0.389	13	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H){1|N<3>,2|H<1>,3|C<3>}	134.7953	0.183	3	134.4809	0.389	13	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H){2|C<3>,2|H<1>,2|N<2>}	134.5180	0.796	2	134.4809	0.389	13	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H){2|H<1>,4|C<3>}	134.9710	0.361	2	134.4809	0.389	13	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H){1|H<1>,1|S<2>,4|C<3>}	133.2410	0.000	1	134.4809	0.389	13	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|C<2>,1|H<1>,4|C<3>}	134.2310	0.000	1	134.4049	0.583	57	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	134.7950	0.126	2	134.4049	0.583	57	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|C<4>,1|H<1>,4|C<3>}	134.6315	0.432	11	134.4049	0.583	57	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,5|C<3>}	135.3750	0.000	1	134.4049	0.583	57	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Mg<6>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|Mg<6>,1|H<1>,4|C<3>}	134.3740	0.405	6	134.4049	0.583	57	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,1|N<3>,4|C<3>}	134.6850	0.000	1	134.4049	0.583	57	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){2|H<1>,4|C<3>}	135.3490	0.380	2	134.4049	0.583	57	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|P<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,1|P<3>,4|C<3>}	133.9265	0.200	4	134.4049	0.583	57	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Si<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|Si<4>,1|H<1>,4|C<3>}	133.1070	0.415	6	134.4049	0.583	57	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){2|H<1>,4|C<3>}	135.2480	1.209	4	134.4049	0.583	57	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|N<2>,2|H<1>,3|C<3>}	135.0585	0.325	2	134.4049	0.583	57	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){2|H<1>,4|C<3>}	134.8680	0.052	2	134.4049	0.583	57	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,1|N<2>,4|C<3>}	134.2610	0.035	2	134.4049	0.583	57	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,5|C<3>}	134.2765	0.658	13	134.4049	0.583	57	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	134.2530	0.000	1	134.3560	0.162	4	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(H){1|N<2>,2|H<1>,3|C<3>}	134.3903	0.486	3	134.3560	0.162	4	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Al<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|Al<4>,1|H<1>,2|C<3>}	134.7540	0.402	2	134.0551	0.853	106	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Al<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|Al<4>,1|H<1>,2|C<3>}	134.2905	0.375	4	134.0551	0.853	106	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Al<5>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|Al<5>,1|H<1>,2|C<3>}	134.5100	0.533	2	134.0551	0.853	106	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|B<3>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|B<3>,1|H<1>,2|C<3>}	133.7920	0.000	1	134.0551	0.853	106	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,1|S<4>,2|C<3>}	132.9706	0.400	7	134.0551	0.853	106	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){2|C<3>,2|H<1>}	134.7000	0.250	2	134.0551	0.853	106	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){2|C<3>,2|H<1>}	134.4843	0.956	3	134.0551	0.853	106	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	134.5352	0.402	5	134.0551	0.853	106	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	134.4514	0.513	9	134.0551	0.853	106	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,3|C<3>}	133.3813	0.645	13	134.0551	0.853	106	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){2|C<3>,2|H<1>}	134.2600	0.000	1	134.0551	0.853	106	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Cu<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|Cu<4>,1|H<1>,2|C<3>}	134.7870	0.000	1	134.0551	0.853	106	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Ir<8>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|Ir<8>,1|H<1>,2|C<3>}	134.5010	1.493	2	134.0551	0.853	106	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){2|C<3>,2|H<1>}	134.7028	1.165	8	134.0551	0.853	106	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,1|S<4>,2|C<3>}	132.4052	0.329	6	134.0551	0.853	106	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){2|C<3>,2|H<1>}	134.6385	0.505	27	134.0551	0.853	106	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,3|C<3>}	133.3800	0.000	1	134.0551	0.853	106	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,3|C<3>}	133.4410	0.648	12	134.0551	0.853	106	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(H){2|C<3>,2|H<1>,3|C<4>}	134.5660	0.000	1	132.6883	0.770	8	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(H){1|C<4>,2|H<1>,4|C<3>}	132.5260	1.017	2	132.6883	0.770	8	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	132.0770	0.000	1	132.6883	0.770	8	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(H){1|H<1>,1|P<4>,4|C<3>}	132.4528	0.245	4	132.6883	0.770	8	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H){1|H<1>,1|N<3>,1|S<4>,4|C<3>}	132.7910	0.000	1	134.6567	2.543	15	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H){1|C<4>,2|H<1>,4|C<3>}	134.6390	0.000	1	134.6567	2.543	15	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H){2|C<3>,2|H<1>,3|C<4>}	134.9450	0.000	1	134.6567	2.543	15	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Cu<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H){1|Cu<4>,1|H<1>,1|N<3>,3|C<3>}	135.8137	0.547	3	134.6567	2.543	15	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Ir<5>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H){1|Ir<5>,1|H<1>,1|N<3>,3|C<3>}	134.5830	0.000	1	134.6567	2.543	15	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Ir<6>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H){1|Ir<6>,1|H<1>,1|N<3>,3|C<3>}	134.6520	0.252	2	134.6567	2.543	15	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Pd<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H){1|Pd<4>,1|H<1>,1|N<3>,3|C<3>}	133.8600	0.270	2	134.6567	2.543	15	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Pt<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H){1|Pt<4>,1|H<1>,1|N<3>,3|C<3>}	134.6068	2.944	4	134.6567	2.543	15	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Al<5>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|Al<5>,1|H<1>,2|C<3>}	135.0275	0.395	2	133.8847	2.467	124	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Au<2>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|Au<2>,1|H<1>,2|C<3>}	135.4910	0.000	1	133.8847	2.467	124	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|B<3>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|B<3>,1|H<1>,2|C<3>}	131.9530	0.000	1	133.8847	2.467	124	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|B<3>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|B<3>,1|H<1>,2|C<3>}	133.5950	0.000	1	133.8847	2.467	124	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|B<4>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|B<4>,1|H<1>,2|C<3>}	135.2430	0.000	1	133.8847	2.467	124	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|B<6>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|B<6>,1|H<1>,2|C<3>}	133.8100	0.269	2	133.8847	2.467	124	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,1|P<4>,2|C<3>}	130.2500	0.000	1	133.8847	2.467	124	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	135.1200	0.208	2	133.8847	2.467	124	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){2|C<3>,2|H<1>}	134.5590	0.000	1	133.8847	2.467	124	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	134.5625	0.083	2	133.8847	2.467	124	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	134.6530	1.485	7	133.8847	2.467	124	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,1|N<3>,2|C<3>}	134.1133	0.038	3	133.8847	2.467	124	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){2|C<3>,2|H<1>}	134.5871	0.936	18	133.8847	2.467	124	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){2|C<3>,2|H<1>}	135.7040	0.000	1	133.8847	2.467	124	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|P<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,1|P<4>,2|C<3>}	133.1930	0.519	3	133.8847	2.467	124	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|P<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,1|P<4>,2|C<3>}	133.6912	0.438	8	133.8847	2.467	124	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|S<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,1|S<4>,2|C<3>}	134.6260	0.699	2	133.8847	2.467	124	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|S<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,1|S<4>,2|C<3>}	134.9840	0.000	1	133.8847	2.467	124	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|P<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,1|P<3>,2|C<3>}	132.0250	0.252	2	133.8847	2.467	124	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|P<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,1|P<4>,2|C<3>}	124.3500	0.000	1	133.8847	2.467	124	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){2|C<3>,2|H<1>}	135.1860	1.054	2	133.8847	2.467	124	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){2|C<3>,2|H<1>}	133.9550	0.000	1	133.8847	2.467	124	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	133.8100	0.000	1	133.8847	2.467	124	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,3|C<3>}	131.0370	0.000	1	133.8847	2.467	124	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Ir<8>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|Ir<8>,1|H<1>,2|C<3>}	135.0010	0.262	3	133.8847	2.467	124	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,3|C<3>}	130.9600	0.190	2	133.8847	2.467	124	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Ni<4>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|Ni<4>,1|H<1>,2|C<3>}	135.0777	1.833	6	133.8847	2.467	124	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,3|C<3>}	131.4765	0.097	2	133.8847	2.467	124	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,1|P<4>,2|C<3>}	131.2978	0.377	4	133.8847	2.467	124	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Pd<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|Pd<4>,1|H<1>,2|C<3>}	135.1050	0.000	1	133.8847	2.467	124	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Rh<8>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|Rh<8>,1|H<1>,2|C<3>}	135.0240	0.000	1	133.8847	2.467	124	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Ru<9>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|Ru<9>,1|H<1>,2|C<3>}	135.1630	0.000	1	133.8847	2.467	124	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Ti<5>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|Ti<5>,1|H<1>,2|C<3>}	134.6735	0.046	2	133.8847	2.467	124	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,3|C<3>}	133.8415	0.731	19	133.8847	2.467	124	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){2|C<3>,2|H<1>}	134.5033	0.398	6	133.8847	2.467	124	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,3|C<3>}	133.2743	0.685	12	133.8847	2.467	124	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]I)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|I<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]I)(H){1|H<1>,3|C<3>}	133.8310	0.000	1	133.8310	0.000	1	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Ir)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Ir<8>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Ir)(H){1|H<1>,3|C<3>}	133.7010	0.000	1	133.7010	0.000	1	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(H){1|C<4>,1|H<1>,2|C<3>}	132.6415	0.295	2	132.2534	0.254	7	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(H){1|H<1>,1|S<4>,2|C<3>}	131.9270	0.000	1	132.2534	0.254	7	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|N<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(H){2|C<3>,2|H<1>}	132.0663	0.675	3	132.2534	0.254	7	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(H){1|H<1>,3|C<3>}	132.3650	0.000	1	132.2534	0.254	7	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[6])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[6])(H){1|H<1>,2|C<3>,3|C<4>}	134.4300	0.000	1	134.4300	0.000	1	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(H){1|C<4>,1|H<1>,2|C<3>}	134.2710	0.000	1	134.2512	0.055	5	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(H){1|H<1>,3|C<3>}	134.5890	0.000	1	134.2512	0.055	5	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Ru<10>,1|C<3>,1|P<5>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(H){1|Ru<10>,1|H<1>,2|C<3>}	134.1320	0.175	3	134.2512	0.055	5	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Pd)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Pd)(H){1|C<4>,1|H<1>,2|C<3>}	134.5837	0.045	3	134.5837	0.002	3	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Rh)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Rh<8>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Rh)(H){1|H<1>,3|C<3>}	133.4700	0.000	1	133.4700	0.000	1	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|S<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(H){2|C<3>,2|H<1>}	135.0650	0.000	1	133.9085	2.675	2	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(H){1|H<1>,3|C<3>}	132.7520	0.000	1	133.9085	2.675	2	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Si)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Si<4>,1|C<2>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Si)(H){1|C<2>,1|H<1>,2|C<3>}	134.6985	0.159	2	134.6314	0.106	5	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Si)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Si)(H){1|C<4>,1|H<1>,2|C<3>}	134.5867	0.439	3	134.6314	0.106	5	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,1|S<4>,4|C<3>}	133.5590	0.000	1	133.5590	0.000	1	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,3|C<3>}	133.5610	0.000	1	133.5610	0.000	1	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	133.8930	0.000	1	134.2100	0.110	4	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){2|C<3>,2|H<1>}	134.3157	0.313	3	134.2100	0.110	4	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H){2|H<1>,4|C<3>}	134.6790	0.000	1	134.6790	0.000	1	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]N[5a])(H){2|C<3>,2|C<4>,3|H<1>}	133.6630	0.000	1	133.6630	0.000	1	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,3|C<3>}	132.4790	0.000	1	133.4950	0.446	7	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,3|C<3>}	133.1220	0.000	1	133.4950	0.446	7	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){2|C<3>,2|H<1>}	134.5500	0.000	1	133.4950	0.446	7	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){2|C<3>,2|H<1>}	133.5785	0.347	4	133.4950	0.446	7	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[4])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[4])(H){1|C<4>,2|H<1>,3|C<3>}	133.9580	0.000	1	133.9580	0.000	1	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,3|C<3>}	132.6908	0.751	4	132.6908	0.565	4	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(H){1|H<1>,3|C<3>}	130.3250	0.000	1	130.3250	0.000	1	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Si)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Si)(H){1|C<4>,1|H<1>,2|C<3>}	134.6320	0.000	1	134.6320	0.000	1	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]Cl)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,3|C<3>}	133.8550	0.000	1	133.8550	0.000	1	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(H){1|H<1>,4|C<3>}	135.7280	0.000	1	135.7280	0.000	1	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(H){1|H<1>,2|C<3>}	135.2887	0.428	4	135.2887	0.183	4	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(H){1|H<1>,4|C<3>}	135.5300	0.000	1	135.5300	0.000	1	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(H){1|H<1>,2|C<3>}	136.2920	0.000	1	135.7533	0.322	6	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(H){1|H<1>,2|C<3>}	135.6456	0.562	5	135.7533	0.322	6	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[5])(H){2|H<1>,4|C<3>}	135.9970	0.000	1	135.9970	0.000	1	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[6])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>,2|O<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[6])(H){1|H<1>,2|C<4>,3|C<3>}	136.3610	0.231	2	136.2463	0.066	3	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[6])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>,2|O<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[6])(H){1|C<4>,1|H<1>,3|C<3>}	136.0170	0.000	1	136.2463	0.066	3	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[5])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[5])(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(H){1|H<1>,2|C<3>}	135.2770	0.000	1	135.2770	0.000	1	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	136.1410	0.000	1	136.0565	0.323	6	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])(H){1|H<1>,1|N<2>,3|C<3>}	137.1400	0.000	1	136.0565	0.323	6	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])(H){1|H<1>,1|N<3>,3|C<3>}	135.5450	0.000	1	136.0565	0.323	6	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])(H){1|H<1>,1|O<2>,3|C<3>}	135.8377	0.117	3	136.0565	0.323	6	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(H){1|H<1>,1|N<2>,3|C<3>}	135.8865	0.112	2	136.0363	0.252	12	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(H){1|H<1>,4|C<3>}	136.0663	0.548	10	136.0363	0.252	12	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(H){1|H<1>,2|C<3>}	136.4410	0.290	2	135.7774	0.566	41	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(H){1|H<1>,2|C<3>}	135.3970	0.559	6	135.7774	0.566	41	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(H){1|H<1>,2|C<3>}	136.0290	0.000	1	135.7774	0.566	41	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(H){1|H<1>,2|C<3>}	135.7994	0.787	32	135.7774	0.566	41	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[5])(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	136.0320	0.000	1	135.9044	0.181	7	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[5])(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	136.2230	0.386	2	135.9044	0.181	7	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[5])(H){1|H<1>,2|C<4>,3|C<3>}	135.8040	0.000	1	135.9044	0.181	7	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[5])(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	135.6670	0.000	1	135.9044	0.181	7	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[5])(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	135.1630	0.000	1	135.9044	0.181	7	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[5])(H){1|H<1>,4|C<3>}	136.2190	0.000	1	135.9044	0.181	7	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[6])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[6])(H){1|H<1>,1|O<2>,3|C<3>}	136.3900	0.000	1	135.8483	0.248	3	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[6])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[6])(H){1|H<1>,4|C<3>}	135.5775	0.237	2	135.8483	0.248	3	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]Co)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Co<4>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]Co)(H){1|H<1>,2|C<3>}	137.0710	0.000	1	137.0710	0.000	1	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]Ir)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Ir<8>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]Ir)(H){1|H<1>,2|C<3>}	136.7140	0.854	2	136.7140	0.730	2	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N)(H){1|H<1>,2|C<3>}	135.4970	0.000	1	135.4970	0.000	1	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]S)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]S)(H){1|H<1>,2|C<3>}	135.3560	0.000	1	135.3560	0.000	1	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]Sn)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Sn<4>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]Sn)(H){1|H<1>,2|C<3>}	136.0857	0.786	3	136.0857	0.618	3	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[6])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[6])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(H){1|H<1>,2|C<3>}	134.9170	0.000	1	134.9170	0.000	1	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(H){1|H<1>,4|C<3>}	137.2145	0.148	2	137.2145	0.022	2	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])(H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	137.1590	0.000	1	137.1590	0.000	1	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(H){1|H<1>,4|C<3>}	135.3435	0.175	2	135.3435	0.031	2	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(H){1|H<1>,2|C<3>}	134.9180	0.000	1	134.9180	0.000	1	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[5])(H){1|Se<2>,1|H<1>,1|N<2>,2|C<3>}	137.1020	0.000	1	137.1020	0.000	1	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]B[5a]S[5a])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|B<4>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]B[5a]S[5a])(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	128.1630	1.414	4	128.1630	1.999	4	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	128.4230	0.000	1	127.1967	16.235	4	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(H){1|H<1>,1|N<2>,3|C<3>}	129.5030	0.000	1	127.1967	16.235	4	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(H){1|H<1>,1|N<3>,3|C<3>}	129.6520	0.000	1	127.1967	16.235	4	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(H){1|H<1>,1|S<2>,3|C<3>}	121.2090	0.000	1	127.1967	16.235	4	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(H){1|H<1>,4|C<3>}	125.0775	3.689	2	125.0775	13.609	2	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H){1|H<1>,2|C<3>}	128.8384	0.514	17	128.9783	0.262	33	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H){1|H<1>,2|C<3>}	129.1271	0.482	16	128.9783	0.262	33	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[3])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[3])(H){2|C<3>,2|C<4>,2|H<1>}	128.9920	0.000	1	128.9920	0.000	1	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[5])(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	129.7440	0.000	1	129.7440	0.000	1	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[6])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[6])(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	129.0170	0.000	1	127.4876	4.383	5	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[6])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[6])(H){1|C<4>,1|H<1>,3|C<3>}	128.9990	0.000	1	127.4876	4.383	5	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[6])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[6])(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	125.9400	0.000	1	127.4876	4.383	5	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[6])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[6])(H){1|H<1>,1|N<2>,1|S<3>,2|C<3>}	128.9090	0.000	1	127.4876	4.383	5	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[6])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[6])(H){1|H<1>,4|C<3>}	124.5730	0.000	1	127.4876	4.383	5	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]P)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|P<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]P)(H){1|H<1>,2|C<3>}	128.6590	0.000	1	128.6590	0.000	1	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H){1|H<1>,2|C<3>}	128.6270	0.000	1	128.6270	0.000	1	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|N<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H){1|H<1>,2|C<3>}	131.1010	0.000	1	130.7585	0.235	2	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H){1|H<1>,2|C<3>}	130.4160	0.000	1	130.7585	0.235	2	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<3>,1|N<2>,2|H<1>}	136.5840	0.000	1	136.5840	0.000	1	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5,6]N[5a])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5,6]N[5a])(H){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	137.0270	0.000	1	137.0270	0.000	1	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,1|N<2>,4|C<3>}	136.5725	0.059	2	136.5087	0.108	6	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|N<2>,2|H<1>,3|C<3>}	136.2683	0.021	3	136.5087	0.108	6	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){2|C<3>,2|H<1>,2|N<2>}	137.1020	0.000	1	136.5087	0.108	6	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|C<3>,1|N<2>,2|H<1>}	136.1230	0.000	1	136.1230	0.000	1	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|B<4>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<2>}	136.0842	0.300	4	136.5964	0.614	56	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|B<5>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|B<5>,1|C<3>,1|H<1>,1|N<2>}	136.2592	0.580	5	136.5964	0.614	56	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	136.6540	0.000	1	136.5964	0.614	56	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	136.9228	0.273	4	136.5964	0.614	56	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<3>,1|N<2>,2|H<1>}	137.3757	0.597	3	136.5964	0.614	56	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Pd<4>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|Pd<4>,1|C<3>,1|H<1>,1|N<2>}	137.5880	0.000	1	136.5964	0.614	56	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Pt<4>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|Pt<4>,1|C<3>,1|H<1>,1|N<2>}	137.8550	0.000	1	136.5964	0.614	56	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Si<4>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|Si<4>,1|C<3>,1|H<1>,1|N<2>}	136.8357	0.531	28	136.5964	0.614	56	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,1|N<2>,2|C<3>}	135.6058	0.916	9	136.5964	0.614	56	133.9577	5.689	678	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:I-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(I)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|I<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(I){1|C<4>,1|H<1>,2|C<3>}	134.6110	0.000	1	134.6110	0.000	1	133.6062	1.163	6	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:I-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(I)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|I<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(I){1|H<1>,1|S<4>,2|C<3>}	132.8310	0.000	1	133.5520	1.040	2	133.6062	1.163	6	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:I-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(I)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|I<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(I){1|H<1>,3|C<3>}	134.2730	0.000	1	133.5520	1.040	2	133.6062	1.163	6	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:I-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]I)(I)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H){1|C<3>,1|I<1>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|I<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]I)(I){1|H<1>,1|S<4>,2|C<3>}	131.7920	0.000	1	131.7920	0.000	1	133.6062	1.163	6	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:I-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[6a])(I)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|I<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[6a])(I){2|H<1>,4|C<3>}	134.2200	0.000	1	134.2200	0.000	1	133.6062	1.163	6	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:I-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(I)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|H<1>,1|I<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(I){1|C<4>,1|H<1>,2|C<3>}	133.9100	0.000	1	133.9100	0.000	1	133.6062	1.163	6	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:O-1:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a,6a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]N[5a,6a]C[6a])(O)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]N[5a,6a]C[6a])(O){1|H<1>,5|C<3>}	129.9930	0.000	1	129.9930	0.000	1	129.9930	0.000	1	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:Cl-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|N<2>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(Cl){1|H<1>,2|C<3>}	135.2390	0.000	1	135.2390	0.000	1	135.2390	0.000	1	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	131.3250	0.000	1	131.3250	0.000	1	135.3062	0.688	46	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(H){1|H<1>,1|N<2>,3|C<3>}	134.6767	0.216	3	134.6767	0.047	3	135.3062	0.688	46	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H){1|H<1>,2|C<3>}	133.7420	0.000	1	133.7420	0.000	1	135.3062	0.688	46	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(H){1|H<1>,1|N<2>,3|C<3>}	135.4058	0.326	10	135.4144	0.188	17	135.3062	0.688	46	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	135.4410	0.640	6	135.4144	0.188	17	135.3062	0.688	46	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	135.3400	0.000	1	135.4144	0.188	17	135.3062	0.688	46	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H){1|H<1>,2|C<3>}	134.2170	0.270	2	135.4903	0.310	21	135.3062	0.688	46	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H){1|H<1>,2|C<3>}	135.1230	0.000	2	135.4903	0.310	21	135.3062	0.688	46	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H){1|H<1>,2|C<3>}	135.7507	0.346	6	135.4903	0.310	21	135.3062	0.688	46	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H){1|H<1>,2|C<3>}	135.6466	0.366	11	135.4903	0.310	21	135.3062	0.688	46	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C[5])(H){1|C<4>,1|H<1>,3|C<3>}	135.6810	0.000	1	135.6810	0.000	1	135.3062	0.688	46	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]Os)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|Os<9>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]Os)(H){1|H<1>,2|C<3>}	136.3140	0.000	1	136.3140	0.000	1	135.3062	0.688	46	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]Ru)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|Ru<6>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]Ru)(H){1|H<1>,2|C<3>}	135.6530	0.000	1	135.6530	0.000	1	135.3062	0.688	46	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:I-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]I)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(I)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]I)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|I<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(I){1|H<1>,2|C<3>}	135.3810	0.000	1	135.3810	0.000	1	135.3810	0.000	1	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(O){2|C<3>,2|H<1>}	131.8200	0.564	2	131.8200	0.318	2	127.9787	9.801	29	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]O[5a]C)(O)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]O[5a]C)(O){1|H<1>,2|C<3>}	132.9060	0.000	1	132.9060	0.000	1	127.9787	9.801	29	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]O[5a]C)(O)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){1|C<3>,1|I<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]O[5a]C)(O){1|H<1>,2|C<3>}	132.2640	0.000	1	132.2640	0.000	1	127.9787	9.801	29	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]S[5a])(O)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]S[5a])(O){1|H<1>,4|C<3>}	126.3713	0.163	3	126.3713	0.027	3	127.9787	9.801	29	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]C)(O)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]C)(O){1|H<1>,2|C<3>}	126.6316	0.454	10	126.2839	0.566	15	127.9787	9.801	29	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]C)(O)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]C)(O){1|H<1>,2|C<3>}	126.9640	0.000	1	126.2839	0.566	15	127.9787	9.801	29	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]C)(O)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]C)(O){1|H<1>,2|C<3>}	125.2447	0.162	4	126.2839	0.566	15	127.9787	9.801	29	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]H)(O)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]H)(O){1|H<1>,2|C<3>}	126.8495	0.026	2	126.8495	0.001	2	127.9787	9.801	29	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]N)(O)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]N)(O){1|H<1>,2|C<3>}	125.8725	0.873	2	125.8725	0.763	2	127.9787	9.801	29	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]O)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<1>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(O){1|N<2>,2|H<1>,3|C<3>}	134.5847	0.155	3	134.5847	0.024	3	127.9787	9.801	29	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:S-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(S)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(S){1|H<1>,1|S<1>,2|C<3>}	130.9700	0.014	2	130.9700	0.000	2	130.9700	0.000	2	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:O-1:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a,6a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(O)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[5a](N[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(O){1|H<1>,5|C<3>}	129.5320	0.000	1	129.5320	0.000	1	129.5320	0.000	1	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:I-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]I)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(I)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]I){1|C<3>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(I){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H){1|I<1>,2|C<3>}	130.2790	0.000	1	130.2790	0.000	1	130.2790	0.000	1	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]H)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C[5])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(H)	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]H)(C[6a]N[6a]H){1|C<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>,2|O<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	138.3590	0.000	1	138.3590	0.000	1	138.0775	0.158	2	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]H)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C[5])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(H)	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]H)(C[6a]N[6a]H){1|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>,2|O<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(H){1|H<1>,1|N<2>,1|N<3>}	137.7960	0.000	1	137.7960	0.000	1	138.0775	0.158	2	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a]C[6a])(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]O){5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|N<3>,1|O<1>,2|C<3>}	128.8130	0.000	1	128.8130	0.000	1	131.6144	8.166	12	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a]C[6a])(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|N<3>,1|O<1>,2|C<3>}	128.7740	1.095	2	128.7740	1.198	2	131.6144	8.166	12	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O){2|C<3>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|C<4>,1|O<1>,2|N<3>}	131.3080	0.011	2	131.3080	0.000	2	131.6144	8.166	12	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|S<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	134.3480	0.505	3	134.3480	0.255	3	131.6144	8.166	12	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	135.0900	0.000	1	135.0165	0.011	2	131.6144	8.166	12	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	134.9430	0.000	1	135.0165	0.011	2	131.6144	8.166	12	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|C<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O){1|H<1>,1|N<2>,1|N<3>,1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H){1|N<2>,1|N<3>,1|O<1>}	127.9880	0.000	1	127.9880	0.000	1	131.6144	8.166	12	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<2>,1|O<2>,1|S<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H){1|N<2>,1|N<3>,1|O<1>}	129.3310	0.000	1	129.3310	0.000	1	131.6144	8.166	12	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5,6a]-3:Cl-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]Cl)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]N[5])(Cl)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]Cl)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]N[5])(Cl){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H){1|Cl<1>,2|C<3>}	129.3600	0.000	1	129.3600	0.000	1	129.3600	0.000	1	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5,6])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5,6])(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H){2|C<3>,2|H<1>,3|C<4>}	135.4050	0.000	1	135.4050	0.000	1	131.4520	11.784	3	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]H){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(H){1|S<2>,3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H){1|H<1>,2|C<3>}	129.4755	0.360	2	129.4755	0.130	2	131.4520	11.784	3	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:Br-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]Br)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(Br)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]Br)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(Br){1|H<1>,1|O<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(H){1|Br<1>,2|C<3>}	134.1890	0.000	1	134.1890	0.000	1	134.1890	0.000	1	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:Br-1:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]Br)(C[5a]N[5a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])2(Br)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]Br)(C[5a]N[5a]O){1|Br<1>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])2(Br){2|N<3>,2|O<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(O){1|Br<1>,1|O<1>,2|C<3>}	130.3398	0.242	4	130.3398	0.058	4	130.3398	0.058	4	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:Cl-1:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]Cl)(C[5a]N[5a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])2(Cl)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]Cl)(C[5a]N[5a]O){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])2(Cl){2|N<3>,2|O<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(O){1|Cl<1>,1|O<1>,2|C<3>}	130.2895	0.272	2	130.2895	0.074	2	130.2895	0.074	2	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[5a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[5a])(H){1|H<1>,3|C<3>,3|S<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H){1|H<1>,2|C<3>}	129.2067	0.634	4	129.2067	0.402	4	128.6385	2.501	18	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[5a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[5a])(H){1|H<1>,3|C<3>,3|S<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H){1|H<1>,2|C<3>}	129.3580	0.337	2	129.3580	0.113	2	128.6385	2.501	18	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|N<3>,1|S<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(H){1|H<1>,1|S<2>,3|C<3>}	129.6530	0.000	1	129.6530	0.000	1	128.6385	2.501	18	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H){1|H<1>,1|S<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H){1|H<1>,2|C<3>}	129.7170	0.000	1	129.0445	0.905	2	128.6385	2.501	18	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H){1|H<1>,1|S<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H){1|H<1>,1|S<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H){1|H<1>,2|C<3>}	128.3720	0.000	1	129.0445	0.905	2	128.6385	2.501	18	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H){1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H){1|H<1>,1|S<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H){1|H<1>,2|C<3>}	128.7417	0.430	4	128.7417	0.185	4	128.6385	2.501	18	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]S)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H){1|C<3>,1|H<1>,2|S<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H){1|H<1>,1|S<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]S)(H){1|H<1>,2|C<3>}	125.9527	2.353	3	125.9527	5.535	3	128.6385	2.501	18	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])2(H){2|H<1>,2|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H){1|H<1>,2|C<3>}	129.6915	1.037	2	129.6915	1.076	2	128.6385	2.501	18	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])2(H){2|N<3>,2|O<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(O){1|H<1>,1|O<1>,2|C<3>}	129.3580	0.420	52	129.3580	0.176	52	129.2513	0.358	75	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6])(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])2(H){2|N<3>,2|O<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6])(O){1|C<2>,1|H<1>,1|O<1>,2|C<3>,2|C<4>}	128.9535	1.165	2	128.7405	0.778	15	129.2513	0.358	75	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6])(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])2(H){2|N<3>,2|O<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6])(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	128.7077	0.887	13	128.7405	0.778	15	129.2513	0.358	75	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]O){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])2(H){2|N<3>,2|O<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(O){1|H<1>,1|O<1>,2|C<3>}	129.7072	0.295	6	129.7072	0.087	6	129.2513	0.358	75	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]O)(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]O){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])2(H){2|N<3>,2|O<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]O)(O){1|H<1>,1|O<1>,2|C<3>}	128.9410	0.460	2	128.9410	0.211	2	129.2513	0.358	75	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:S-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]S)	C[6a](C[5a,6a]C[5a,6a]C[5a])2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(S)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]S){1|C<4>,1|H<1>,1|S<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])2(H){2|N<3>,2|S<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(S){1|H<1>,1|S<1>,2|C<3>}	129.5080	0.130	2	129.5080	0.017	2	129.5080	0.017	2	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a](C[5a]B[5x3,5x5,20x6]S[5a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H){1|B<6>,1|C<3>,1|H<1>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H){1|H<1>,1|S<2>,4|C<3>}	C[5a](C[5a]B[5x3,5x5,20x6]S[5a])(C[5a,6a]C[5a,6a]C[6a])(H){1|C<6>,1|H<1>,2|C<3>,4|B<6>}	128.9952	0.999	4	128.9952	0.998	4	128.9952	0.998	4	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:I-1:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]I)(C[5a]N[5a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])2(I)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]I)(C[5a]N[5a]O){1|H<1>,1|I<1>,1|O<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])2(I){2|N<3>,2|O<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(O){1|I<1>,1|O<1>,2|C<3>}	130.4985	0.775	4	130.4985	0.601	4	130.4985	0.601	4	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]H){4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|O<2>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(H){1|H<1>,4|C<3>}	136.6045	0.680	2	136.6045	0.462	2	132.3279	16.232	9	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]H){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H){2|H<1>,2|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(H){1|H<1>,2|C<3>}	136.4350	0.544	2	136.4350	0.296	2	132.3279	16.232	9	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]2)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]2)(H){1|H<1>,1|S<2>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H){1|H<1>,2|C<3>}	129.7150	0.414	2	129.7150	0.172	2	132.3279	16.232	9	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|S<2>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H){1|H<1>,2|C<3>}	129.0560	0.000	1	128.4807	0.277	3	132.3279	16.232	9	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|C<2>,1|H<1>,1|S<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H){1|H<1>,2|C<3>}	128.1930	0.242	2	128.4807	0.277	3	132.3279	16.232	9	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:I-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]I)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]Si)(I)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]I){1|Si<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,1|I<1>,1|S<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]Si)(I){1|H<1>,2|C<3>}	130.2810	0.000	1	130.2810	0.000	1	130.9705	0.951	2	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:I-1:	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]I)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(I)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]I){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,1|I<1>,1|N<2>,1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(I){1|C<3>,1|H<1>,1|N<2>}	131.6600	0.000	1	131.6600	0.000	1	130.9705	0.951	2	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:Cl-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H)(C[5a]N[5a]Cl)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H)(C[5a]N[5a]Cl){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(Cl){1|H<1>,1|N<2>,3|C<3>}	136.6590	0.000	1	136.6590	0.000	1	136.6590	0.000	1	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:I-1:	C[5a,6a](C[5a,6a]O[5a]O[6a])(C[6a]C[6a,6a]O)(C[5a]C[5a]I)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(I)	C[5a,6a](C[5a,6a]O[5a]O[6a])(C[6a]C[6a,6a]O)(C[5a]C[5a]I){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(O){1|H<1>,1|I<1>,2|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(I){1|O<1>,1|O<2>,3|C<3>}	135.7390	0.000	1	135.7390	0.000	1	135.7390	0.000	1	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:O-1:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a,6a]O)(C[5a]N[5a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[3x6a]C[6a])(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(O)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a,6a]O)(C[5a]N[5a]O){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[3x6a]C[6a])(O){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(O){2|C<3>,2|O<1>}	128.7560	0.000	1	128.7560	0.000	1	128.7560	0.000	1	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[6a]C[6a]Br)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(Br)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[6a]C[6a]Br)(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(Br){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(H){1|Br<1>,4|C<3>}	130.3830	0.000	1	130.3830	0.000	1	132.3835	8.004	2	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Br)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(C[5a]C[5a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Br){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|Br<1>,3|C<3>}	134.3840	0.000	1	134.3840	0.000	1	132.3835	8.004	2	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Cl)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(C[5a]C[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Cl){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|Cl<1>,3|C<3>}	132.9520	0.000	1	132.9520	0.000	1	136.1743	4.792	4	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]Cl)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Cl)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]Cl)(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Cl){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|Cl<1>,1|N<3>,3|C<3>}	137.8320	0.000	1	137.8320	0.000	1	136.1743	4.792	4	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]Cl)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Cl)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]Cl)(C[5a]C[5a]H){1|C<3>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Cl){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|Cl<1>,1|C<3>,1|N<2>,1|S<4>}	136.8550	0.000	1	136.9565	0.021	2	136.1743	4.792	4	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]Cl)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Cl)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]Cl)(C[5a]C[5a]H){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Cl){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>}	137.0580	0.000	1	136.9565	0.021	2	136.1743	4.792	4	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(Cl)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(C[5a]N[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(Cl){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H){1|Cl<1>,2|C<3>}	134.9280	0.000	1	134.9280	0.000	1	134.9280	0.000	1	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]N[5a,6a]C[6a])(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]N[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	129.5380	0.000	1	129.5380	0.000	1	133.7824	2.426	11	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){5|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]2)(H){2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H){2|H<1>,4|C<3>}	134.3130	0.000	1	134.3130	0.000	1	133.7824	2.426	11	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]N[5a,6a]C[6a])(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]N[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	132.6640	0.000	1	132.6640	0.000	1	133.7824	2.426	11	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H){1|C<2>,1|H<1>,4|C<3>}	134.1225	0.396	4	134.1225	0.157	4	133.7824	2.426	11	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H){1|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H){2|H<1>,4|C<3>}	135.3110	0.000	1	135.3110	0.000	1	133.7824	2.426	11	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]C)(H){2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H){2|H<1>,4|C<3>}	134.3520	0.000	1	134.3520	0.000	1	133.7824	2.426	11	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]H)(H){2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H){2|H<1>,4|C<3>}	134.4690	0.414	2	134.4690	0.172	2	133.7824	2.426	11	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:Br-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]Br)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]C)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(Br)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]Br)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]C)(H){1|Br<1>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(Br){1|H<1>,3|C<3>}	134.4620	0.000	1	134.4620	0.000	1	133.6695	1.256	2	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:Br-1:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(Br)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|Br<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(Br){1|H<1>,3|C<3>}	132.8770	0.000	1	132.8770	0.000	1	133.6695	1.256	2	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:F-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]F)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])(F)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]F)(C[6a]C[6a]H){1|C<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])(F){1|C<2>,1|H<1>,4|C<3>}	135.8785	0.285	2	135.8785	0.081	2	136.8435	1.571	4	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:F-1:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]F)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])(F)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]F)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])(F){1|H<1>,4|C<3>}	137.1350	0.000	1	137.1350	0.000	1	136.8435	1.571	4	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:F-1:	C[5a,6a](N[5a,6a]N[5a]N[6a])(C[5a]C[5a]F)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])(F)	C[5a,6a](N[5a,6a]N[5a]N[6a])(C[5a]C[5a]F)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>,2|N<2>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])(F){1|H<1>,1|N<2>,3|C<3>}	138.4820	0.000	1	138.4820	0.000	1	136.8435	1.571	4	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	136.2010	0.000	1	136.2010	0.000	1	135.2175	3.115	24	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]B[5a]C[5a])(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|B<3>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]B[5a]C[5a])(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	134.3620	0.000	1	135.1155	1.136	2	135.2175	3.115	24	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]B[5a]C[5a])(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|B<3>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]B[5a]C[5a])(H){2|C<3>,2|H<1>,2|N<3>}	135.8690	0.000	1	135.1155	1.136	2	135.2175	3.115	24	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]2)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]2)(H){1|N<3>,2|H<1>,3|C<3>}	135.5320	0.000	1	135.5320	0.000	1	135.2175	3.115	24	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|H<1>,5|C<3>}	134.6454	0.849	5	134.6454	0.721	5	135.2175	3.115	24	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,1|N<3>,2|C<3>}	135.9890	0.000	1	135.9890	0.000	1	135.2175	3.115	24	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]P)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]P)(H){1|H<1>,3|C<3>}	135.0365	0.262	2	135.0365	0.069	2	135.2175	3.115	24	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]C)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]C)(H){1|H<1>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	134.9030	0.027	2	134.9030	0.001	2	135.2175	3.115	24	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]S)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Cl<1>,1|N<2>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]S)(H){1|H<1>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|Cl<1>,1|H<1>,2|C<3>}	136.8260	0.000	1	136.8260	0.000	1	135.2175	3.115	24	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<2>,1|C<3>,1|H<1>,1|N<2>}	136.4310	0.000	1	136.4310	0.000	1	135.2175	3.115	24	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|H<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|H<1>,1|N<2>,4|C<3>}	131.7140	0.000	1	131.7140	0.000	1	135.2175	3.115	24	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|H<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	131.5820	0.526	2	131.5820	0.277	2	135.2175	3.115	24	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	137.2570	0.000	1	137.2570	0.000	1	135.2175	3.115	24	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	137.2800	0.000	1	137.1925	0.390	4	135.2175	3.115	24	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	136.8200	0.673	2	137.1925	0.390	4	135.2175	3.115	24	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	137.8500	0.000	1	137.1925	0.390	4	135.2175	3.115	24	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:I-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]I)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]C)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(I)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]I)(C[6a]C[6a]H){1|C<3>,1|I<1>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]C)(H){1|I<1>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(I){1|H<1>,1|I<1>,2|C<3>}	136.6280	0.000	1	135.4290	2.875	2	135.4290	2.875	2	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:I-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]I)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]C)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(I)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]I)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]C)(H){1|I<1>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(I){1|H<1>,1|N<3>,2|C<3>}	134.2300	0.000	1	135.4290	2.875	2	135.4290	2.875	2	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a,6a](N[5a,6a]B[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]B[5a]C)(H)	C[5a,6a](N[5a,6a]B[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|B<3>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|N<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]B[5a]C)(H){1|B<3>,1|H<1>,2|C<3>}	133.7500	0.000	1	133.7500	0.000	1	133.7500	0.000	1	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[6a]N[5a])(O)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[6a]N[5a])(O){1|H<1>,4|C<3>}	132.3110	0.000	1	133.1140	1.290	2	133.1140	1.290	2	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[6a]N[5a])(O)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[6a]N[5a])(O){1|H<1>,4|C<3>}	133.9170	0.000	1	133.1140	1.290	2	133.1140	1.290	2	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a]C)(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]H)(C[6a]N[6a]O){1|C<4>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a]C)(O){1|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	128.0880	0.000	1	128.0880	0.000	1	128.0880	0.000	1	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a]C)(O)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	132.0420	0.000	1	132.0420	0.000	1	132.3627	6.782	7	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a]H)(O)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|C<3>,3|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a]H)(O){1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,1|N<2>,1|N<3>,1|O<1>}	134.9187	0.362	3	134.9187	0.131	3	132.3627	6.782	7	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a]C)(O)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a]C)(O){1|H<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	130.6250	0.000	1	130.6250	0.000	1	132.3627	6.782	7	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a]C[6a])(O)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]N[6a]O){2|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a]C[6a])(O){1|H<1>,6|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	129.5580	1.406	2	129.5580	1.976	2	132.3627	6.782	7	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:N[5,6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[5,6a]O)(C[5a]C[5a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[5,6a]C[5,6a]C[5])(O)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]Br)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[5,6a]O)(C[5a]C[5a]H){2|Br<1>,1|C<3>,1|C<4>,1|N<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[5,6a]C[5,6a]C[5])(O){2|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]Br)(H){1|Br<1>,1|C<3>,1|N<3>,1|O<1>}	129.7463	0.167	4	129.7463	0.028	4	129.7463	0.028	4	133.2063	8.270	1172	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]N[5a,6]O)(CN)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[5a,6a]C[5a,6,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]N[5a,6]O)(CN){1|C<4>,1|H<1>,2|C<3>}	136.7990	0.000	1	136.7990	0.000	1	136.7990	0.000	1	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N[5a]-2:	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a]O[5a])(N[5a]N[5a,6])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6a](C[5a,6a]C[5a,6,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a]O[5a])(N[5a]N[5a,6]){1|C<4>,2|H<1>,4|C<3>}	140.4740	0.000	1	140.4740	0.000	1	140.4740	0.000	1	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]H)(CC)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]H)(CC){1|H<1>,3|C<3>}	135.4460	0.000	1	135.4460	0.000	1	135.4460	0.000	1	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-2:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]N)(NC[6a])	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[5a,6a]H)(H){1|N<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]N)(NC[6a]){1|H<1>,3|C<3>}	137.8214	0.499	9	137.8637	0.239	10	137.8637	0.239	10	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-2:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]N)(NC[6a])	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[5a,6a]H)(H){1|N<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]N)(NC[6a]){1|H<1>,3|C<3>}	138.2440	0.000	1	137.8637	0.239	10	137.8637	0.239	10	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]C[5a,5a]N)(C[6a]C[5,6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(H)	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(NC)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]C[5a,5a]N)(C[6a]C[5,6a]H){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(H){2|N<2>,5|C<3>}	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(NC){1|S<2>,2|H<1>,3|C<3>}	129.3120	0.000	1	129.3120	0.000	1	129.3120	0.000	1	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[5,6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[5,6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(H){1|C<2>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CC){1|H<1>,5|C<3>}	130.0060	0.000	1	130.0060	0.000	1	129.8785	0.033	2	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[5,6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])2(CC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[5,6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(H){1|C<2>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])2(CC){2|H<1>,4|C<3>}	129.7510	0.000	1	129.7510	0.000	1	129.8785	0.033	2	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a,6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a,6a]H){5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,1|N<3>,2|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,3|H<1>,4|C<3>}	138.4420	0.000	1	138.4420	0.000	1	138.4420	0.000	1	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]F){1|B<4>,2|F<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F){1|F<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|B<4>,1|F<1>,2|H<1>,4|C<3>}	136.0529	0.929	9	136.4703	1.566	14	136.4703	1.566	14	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]F){1|B<4>,2|F<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F){1|F<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|B<4>,3|F<1>,4|C<3>}	135.7045	0.964	2	136.4703	1.566	14	136.4703	1.566	14	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]F){1|H<1>,2|F<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F){1|F<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|F<1>,3|H<1>,4|C<3>}	138.4665	0.366	2	136.4703	1.566	14	136.4703	1.566	14	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]F){1|H<1>,2|F<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F){1|F<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,3|F<1>,4|C<3>}	137.7660	0.000	1	136.4703	1.566	14	136.4703	1.566	14	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cu)(NC[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]F){1|Cu<4>,1|C<3>,1|N<2>,2|F<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F){1|F<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cu)(NC[5a]){1|F<1>,1|N<2>,2|C<3>}	132.0844	1.885	8	132.0844	3.553	8	132.0844	3.553	8	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C-2:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CC)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|C<2>,1|H<1>,5|C<3>}	C[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CC){1|H<1>,5|C<3>}	129.5700	0.000	1	129.5700	0.000	1	129.5700	0.000	1	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C-2:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]C[5a,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(CC)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]C[5a,5a]C)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(CC){1|H<1>,4|C<3>}	130.5110	0.000	2	130.5110	0.000	2	130.5110	0.000	2	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:N-2:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(NC[3x6])	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]N)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(NC[3x6]){1|H<1>,4|C<3>}	129.1710	0.000	1	129.1710	0.000	1	131.9965	15.967	2	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:N-2:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(NC)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]N)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(NC){1|H<1>,2|N<2>,3|C<3>}	134.8220	0.000	1	134.8220	0.000	1	131.9965	15.967	2	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:N-2:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(NC[6a])	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]N)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(NC[6a]){1|B<4>,1|H<1>,1|N<3>,3|C<3>}	133.5657	0.134	7	133.5657	0.018	7	133.5657	0.018	7	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C-2:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(CN)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(CN){2|C<3>,2|C<4>,3|H<1>}	134.6575	0.083	2	134.6575	0.007	2	134.6575	0.007	2	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:O-2:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(OH)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(OH){1|Cl<1>,1|H<1>,4|C<3>}	132.9410	0.000	1	132.9410	0.000	1	132.9410	0.000	1	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-2:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CN)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CN){1|C<4>,1|H<1>,4|C<3>}	134.3160	0.000	1	134.3160	0.000	1	134.3160	0.000	1	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])2(CC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])2(CC){2|H<1>,4|C<3>}	130.0350	0.000	1	130.0350	0.000	1	130.0720	0.003	2	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]N[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CN)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]N[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CN){1|C<4>,1|H<1>,4|C<3>}	130.1090	0.000	1	130.1090	0.000	1	130.0720	0.003	2	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:O-2:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(OC)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(OC){1|H<1>,1|N<3>,4|C<3>}	133.4395	0.064	2	133.4395	0.004	2	133.4950	0.011	3	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:O-2:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(OP)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(OP){1|H<1>,5|C<3>}	133.6060	0.000	1	133.6060	0.000	1	133.4950	0.011	3	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|C<2>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC){1|C<4>,1|H<1>,4|C<3>}	131.2930	0.091	2	131.2930	0.008	2	133.4720	4.433	44	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC){1|C<4>,1|H<1>,2|C<3>}	133.8980	0.369	2	133.8980	0.136	2	133.4720	4.433	44	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|F<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CN){1|H<1>,1|O<2>,4|C<3>}	133.8130	0.000	1	133.8130	0.000	1	133.4720	4.433	44	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC){2|H<1>,4|C<3>}	133.5500	0.000	1	133.5500	0.000	1	133.4720	4.433	44	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CN){1|C<4>,1|H<1>,4|C<3>}	134.7840	0.000	1	134.1045	0.923	2	133.4720	4.433	44	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CN){1|H<1>,5|C<3>}	133.4250	0.000	1	134.1045	0.923	2	133.4720	4.433	44	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC){1|H<1>,1|S<4>,2|C<3>}	132.2685	0.291	2	132.2685	0.084	2	133.4720	4.433	44	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CN){1|H<1>,1|N<3>,2|C<3>}	134.2335	0.391	2	134.1605	1.105	14	133.4720	4.433	44	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CN){1|H<1>,1|O<2>,2|C<3>}	135.1680	0.000	1	134.1605	1.105	14	133.4720	4.433	44	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CN){1|H<1>,1|S<4>,2|C<3>}	132.8847	0.347	3	134.1605	1.105	14	133.4720	4.433	44	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|F<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CN){1|H<1>,3|C<3>}	134.2770	0.000	1	134.1605	1.105	14	133.4720	4.433	44	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CN){1|H<1>,3|C<3>}	134.9640	0.185	3	134.1605	1.105	14	133.4720	4.433	44	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CN){1|H<1>,3|C<3>}	135.7250	0.000	1	134.1605	1.105	14	133.4720	4.433	44	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CN){1|H<1>,3|C<3>}	135.0820	0.000	1	134.1605	1.105	14	133.4720	4.433	44	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CN){1|H<1>,1|S<4>,2|C<3>}	132.9910	0.117	2	134.1605	1.105	14	133.4720	4.433	44	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN){1|C<4>,1|H<1>,2|C<3>}	134.9230	0.000	1	134.2930	0.794	2	133.4720	4.433	44	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|S<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN){1|H<1>,1|S<4>,2|C<3>}	133.6630	0.000	1	134.2930	0.794	2	133.4720	4.433	44	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CN){2|C<3>,2|H<1>}	134.2320	0.000	1	134.0223	0.038	3	133.4720	4.433	44	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CN){1|H<1>,3|C<3>}	133.9175	0.104	2	134.0223	0.038	3	133.4720	4.433	44	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<2>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CN){1|H<1>,3|C<3>}	133.5840	0.000	1	133.5840	0.000	1	133.4720	4.433	44	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CN)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|C<2>,1|H<1>,1|O<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CN){1|H<1>,4|C<3>}	135.3610	0.000	1	135.3610	0.000	1	133.4720	4.433	44	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CN)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CN){1|H<1>,4|C<3>}	135.4700	0.000	1	135.4700	0.000	1	133.4720	4.433	44	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CN)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CN){1|H<1>,4|C<3>}	134.7660	0.000	1	135.3360	0.556	3	133.4720	4.433	44	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CN)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CN){1|H<1>,4|C<3>}	135.6210	0.791	2	135.3360	0.556	3	133.4720	4.433	44	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CN)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CN){1|H<1>,4|C<3>}	135.5920	0.000	1	135.5920	0.000	1	133.4720	4.433	44	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CN)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CN){1|H<1>,4|C<3>}	135.1670	0.000	1	135.1670	0.000	1	133.4720	4.433	44	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CC)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CC){1|H<1>,2|C<3>}	128.7470	0.000	1	128.9813	0.042	3	133.4720	4.433	44	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CC)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CC){1|H<1>,2|C<3>}	129.0985	0.026	2	128.9813	0.042	3	133.4720	4.433	44	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CN)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CN){1|H<1>,2|C<3>}	129.4130	0.000	1	129.4130	0.000	1	133.4720	4.433	44	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)(CN)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)(CN){1|H<1>,2|C<3>}	129.5940	0.000	1	129.5940	0.000	1	133.4720	4.433	44	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)(CN)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<2>,1|O<2>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)(CN){1|H<1>,2|C<3>}	129.0700	0.000	1	129.0700	0.000	1	133.4720	4.433	44	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN){1|C<3>,1|N<2>,2|H<1>}	137.1720	0.000	1	137.1720	0.000	1	133.4720	4.433	44	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:I-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(IC[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|I<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(IC[6a]){1|H<1>,3|C<3>}	134.8840	0.016	2	134.8840	0.000	2	134.8840	0.000	2	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[4])(NC[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[4])(NC[6a]){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	132.0620	0.000	1	132.0620	0.000	1	133.7927	4.523	42	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(NC[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|Ru<6>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(NC[6a]){1|Ru<6>,1|H<1>,1|N<3>,3|C<3>}	133.7360	0.000	1	133.7730	0.009	3	133.7927	4.523	42	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(NC[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(NC[6a]){1|N<3>,2|H<1>,3|C<3>}	133.7915	0.129	2	133.7730	0.009	3	133.7927	4.523	42	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NC){2|H<1>,4|C<3>}	135.4697	0.811	3	135.4697	0.658	3	133.7927	4.523	42	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NN){1|C<4>,1|H<1>,4|C<3>}	135.2264	0.317	5	135.3039	0.084	7	133.7927	4.523	42	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NN){2|H<1>,4|C<3>}	135.4975	0.019	2	135.3039	0.084	7	133.7927	4.523	42	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(NN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(NN){1|C<4>,1|H<1>,2|C<3>}	135.3945	0.420	6	135.3945	0.176	6	133.7927	4.523	42	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(NC[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(NC[6a]){1|N<3>,2|H<1>,3|C<3>}	133.3405	0.234	2	133.3405	0.055	2	133.7927	4.523	42	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(NN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(NN){1|C<4>,1|H<1>,2|C<3>}	135.4700	0.000	1	135.3050	0.049	5	133.7927	4.523	42	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(NN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(NN){2|C<3>,2|H<1>}	135.2638	0.231	4	135.3050	0.049	5	133.7927	4.523	42	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(NN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(NN){1|C<4>,1|H<1>,2|C<3>}	133.3540	0.703	2	132.6979	0.520	7	133.7927	4.523	42	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(NN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(NN){1|C<4>,1|H<1>,2|C<3>}	133.0080	0.000	1	132.6979	0.520	7	133.7927	4.523	42	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(NN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(NN){1|C<4>,1|H<1>,2|C<3>}	132.2922	0.580	4	132.6979	0.520	7	133.7927	4.523	42	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(NC)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(NC){1|H<1>,4|C<3>}	135.6520	0.000	1	135.6520	0.000	1	133.7927	4.523	42	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(NC)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(NC){1|H<1>,2|C<3>}	134.8900	0.000	1	134.8900	0.000	1	133.7927	4.523	42	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(NC)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(NC){1|H<1>,1|S<2>,3|C<3>}	131.4100	0.000	1	131.4100	0.000	1	133.7927	4.523	42	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(NC[6a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(NC[6a]){1|H<1>,1|S<2>,3|C<3>}	129.1817	0.331	3	129.1817	0.109	3	133.7927	4.523	42	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[5])(NC[6a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[5])(NC[6a]){1|H<1>,1|S<2>,3|C<3>}	129.2115	0.042	2	129.2115	0.002	2	133.7927	4.523	42	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])(N[5a]N[5a]){1|C<4>,2|H<1>,4|C<3>}	136.6300	0.000	1	136.6300	0.000	1	137.3410	1.011	2	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(N[5a]N[5a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(N[5a]N[5a]){1|N<2>,3|C<3>,3|H<1>}	138.0520	0.000	1	138.0520	0.000	1	137.3410	1.011	2	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:O-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(OC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(OC){1|H<1>,5|C<3>}	134.7420	0.000	1	134.7420	0.000	1	132.5244	8.414	30	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:O-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(OCr)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(OCr){1|N<3>,2|H<1>,3|C<3>}	132.9520	0.642	2	132.9520	0.412	2	132.5244	8.414	30	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:O-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(ORu)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){1|Ru<6>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(ORu){1|Ru<6>,1|H<1>,1|N<3>,3|C<3>}	132.9433	1.935	4	132.9433	3.743	4	132.5244	8.414	30	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:O-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(OC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(OC){1|C<4>,1|H<1>,4|C<3>}	135.2940	0.124	2	135.2940	0.015	2	132.5244	8.414	30	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:O-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(OC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(OC){2|C<3>,2|H<1>}	134.5700	0.000	1	134.5700	0.000	1	132.5244	8.414	30	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:O-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(ORu)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(ORu){1|N<3>,2|H<1>,3|C<3>}	132.9590	0.882	2	132.9590	0.779	2	132.5244	8.414	30	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:O-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(OC[6])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(OC[6]){1|H<1>,3|C<3>}	132.1290	0.000	1	132.1290	0.000	1	132.5244	8.414	30	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:O-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(OC)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>,2|O<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(OC){1|H<1>,4|C<3>}	136.7540	0.000	1	136.7540	0.000	1	132.5244	8.414	30	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:O-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(OH)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>,2|O<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(OH){1|H<1>,2|C<3>}	135.6078	0.571	4	135.6078	0.326	4	132.5244	8.414	30	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:O-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(OH)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){1|H<1>,1|I<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H){1|H<1>,2|C<3>,2|O<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(OH){1|H<1>,2|C<3>}	135.6180	0.371	2	135.6180	0.137	2	132.5244	8.414	30	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:O-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(OC)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(OC){1|H<1>,2|C<3>}	129.0860	0.000	1	129.0860	0.000	1	132.5244	8.414	30	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:O-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(OC)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){1|F<1>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(OC){1|H<1>,2|C<3>}	128.2730	0.000	1	128.2730	0.000	1	132.5244	8.414	30	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:O-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(OC)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(OC){1|H<1>,2|C<3>}	129.8850	0.000	1	129.7750	0.024	2	132.5244	8.414	30	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:O-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(OC)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(OC){1|H<1>,2|C<3>}	129.6650	0.000	1	129.7750	0.024	2	132.5244	8.414	30	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:O-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(OH)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(OH){1|H<1>,2|C<3>}	128.7962	0.429	6	128.7962	0.184	6	132.5244	8.414	30	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O[5a])(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]O[5a])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O[5a])(O[5a]C[5a]){1|H<1>,6|C<3>}	132.6875	0.343	2	132.6875	0.118	2	133.6337	2.219	4	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]O[5a])(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(O[5a]C[5a]){2|H<1>,5|C<3>}	133.3640	0.000	1	133.3640	0.000	1	133.6337	2.219	4	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(O[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O[5a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(O[5a]N[5a]){2|H<1>,4|C<3>}	135.7960	0.000	1	135.7960	0.000	1	133.6337	2.219	4	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6a])	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|O<2>,1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6a]){1|H<1>,2|C<3>}	133.2430	0.000	1	133.2430	0.000	1	134.3179	1.670	81	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC[6a]){1|H<1>,1|S<4>,4|C<3>}	132.5275	0.247	2	132.5275	0.061	2	134.3179	1.670	81	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC){2|H<1>,4|C<3>}	134.2710	0.000	1	134.2710	0.000	1	134.3179	1.670	81	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC[6a]){1|H<1>,1|S<4>,4|C<3>}	131.6550	0.000	1	131.6550	0.000	1	134.3179	1.670	81	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SC){1|H<1>,1|S<4>,2|C<3>}	132.2650	0.000	1	132.2650	0.000	1	134.3179	1.670	81	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SC[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SC[6a]){1|H<1>,1|S<4>,2|C<3>}	132.8047	0.358	7	133.0333	0.667	11	134.3179	1.670	81	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SC[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SC[6a]){1|C<4>,1|H<1>,2|C<3>}	134.5470	0.000	1	133.0333	0.667	11	134.3179	1.670	81	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SC[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SC[6a]){1|H<1>,1|S<4>,2|C<3>}	132.9780	1.788	2	133.0333	0.667	11	134.3179	1.670	81	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SC[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SC[6a]){2|C<3>,2|H<1>}	133.2300	0.000	1	133.0333	0.667	11	134.3179	1.670	81	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SC){1|C<4>,1|H<1>,2|C<3>}	134.6950	0.000	1	134.2770	0.150	4	134.3179	1.670	81	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SC){2|C<3>,2|H<1>}	134.2780	0.313	2	134.2770	0.150	4	134.3179	1.670	81	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SC){2|C<3>,2|H<1>}	133.8570	0.000	1	134.2770	0.150	4	134.3179	1.670	81	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SC[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SC[6a]){1|C<4>,1|H<1>,2|C<3>}	134.4040	0.000	1	134.2558	0.412	6	134.3179	1.670	81	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SC[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SC[6a]){2|C<3>,2|H<1>}	134.2262	0.713	5	134.2558	0.412	6	134.3179	1.670	81	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(SC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(SC){1|H<1>,1|S<4>,2|C<3>}	131.3900	0.000	1	131.3900	0.000	1	134.3179	1.670	81	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(SC[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(SC[6a]){1|C<4>,1|H<1>,2|C<3>}	134.1605	0.657	2	134.1605	0.432	2	134.3179	1.670	81	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(SC[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|S<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(SC[6a]){2|C<3>,2|H<1>}	133.6600	0.000	1	133.6600	0.000	1	134.3179	1.670	81	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC[6])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC[6]){2|H<1>,4|C<3>}	132.2460	0.000	1	132.2460	0.000	1	134.3179	1.670	81	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SC){1|C<4>,1|H<1>,2|C<3>}	133.9530	0.000	1	133.9530	0.000	1	134.3179	1.670	81	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(SC)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,1|S<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(SC){1|H<1>,4|C<3>}	134.9031	0.642	16	134.9031	0.412	16	134.3179	1.670	81	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,1|S<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC){1|H<1>,2|C<3>}	135.0183	0.344	9	135.0183	0.118	9	134.3179	1.670	81	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC){1|H<1>,2|C<3>}	134.6975	0.380	2	134.6975	0.144	2	134.3179	1.670	81	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(SC)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(SC){1|H<1>,4|C<3>}	135.3390	0.000	1	135.2660	0.011	2	134.3179	1.670	81	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(SC)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(SC){1|H<1>,4|C<3>}	135.1930	0.000	1	135.2660	0.011	2	134.3179	1.670	81	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC){1|H<1>,2|C<3>}	135.6037	0.813	6	135.5290	0.589	7	134.3179	1.670	81	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC){1|H<1>,2|C<3>}	135.0810	0.000	1	135.5290	0.589	7	134.3179	1.670	81	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[6])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[6])(H){1|O<2>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC){1|H<1>,2|C<3>}	135.0600	0.028	2	135.0600	0.001	2	134.3179	1.670	81	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|F<1>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC){1|H<1>,2|C<3>}	134.8953	0.251	3	134.8710	0.041	5	134.3179	1.670	81	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|F<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC){1|H<1>,2|C<3>}	134.8345	0.179	2	134.8710	0.041	5	134.3179	1.670	81	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC){1|H<1>,2|C<3>}	135.2450	0.000	1	135.2450	0.000	1	134.3179	1.670	81	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(SC[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|S<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(SC[5a]){1|H<1>,2|C<3>}	130.0360	0.000	1	130.0360	0.000	1	134.3179	1.670	81	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]S)(SC)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|S<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){2|C<3>,3|S<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]S)(SC){1|H<1>,2|C<3>}	131.9820	0.000	1	131.9820	0.000	1	134.3179	1.670	81	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SC[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|S<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SC[6a]){1|C<3>,1|N<2>,2|H<1>}	136.8505	0.258	2	136.8505	0.067	2	134.3179	1.670	81	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:Se-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Se)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SeC[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Se)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|Se<2>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SeC[6a]){2|C<3>,2|H<1>}	134.4970	0.000	1	134.4970	0.000	1	133.9853	0.809	3	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:Se-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Se)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SeC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Se)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Se<2>,1|C<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SeC){2|C<3>,2|H<1>}	134.5120	0.000	1	134.5120	0.000	1	133.9853	0.809	3	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:Se-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Se)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SeC[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Se)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|Se<2>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SeC[6a]){2|C<3>,2|H<1>}	132.9470	0.000	1	132.9470	0.000	1	133.9853	0.809	3	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){4|C<3>,4|H<1>}	137.0720	0.000	1	137.0720	0.000	1	137.5842	1.551	9	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]2)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	136.3750	0.000	1	136.3750	0.000	1	137.5842	1.551	9	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,3|H<1>,4|C<3>}	136.4500	0.297	2	136.4500	0.088	2	137.5842	1.551	9	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a]){3|H<1>,4|C<3>}	137.2485	0.146	2	137.2485	0.021	2	137.5842	1.551	9	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	138.9690	0.000	1	138.9690	0.000	1	137.5842	1.551	9	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]2)(N[5a]N[5a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	139.2225	0.702	2	139.2225	0.493	2	137.5842	1.551	9	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a]){3|H<1>,5|C<3>}	133.6788	0.197	9	133.6788	0.039	9	134.4834	1.473	14	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[6a]O[5a])(C[6a]C[6a]H){5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]C)(H){1|N<2>,1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O[5a]N[5a]){3|H<1>,4|C<3>}	136.4530	0.000	1	136.4530	0.000	1	134.4834	1.473	14	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]O[5a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O[5a]N[5a]){3|H<1>,4|C<3>}	135.7730	0.000	1	135.7730	0.000	1	134.4834	1.473	14	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O[5a]N[5a]){1|H<1>,2|O<2>,4|C<3>}	134.6780	0.000	1	134.6780	0.000	1	134.4834	1.473	14	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]O[5a])(C[6a]C[6a]H){1|H<1>,1|I<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O[5a]N[5a]){3|H<1>,4|C<3>}	136.3775	0.503	2	136.3775	0.253	2	134.4834	1.473	14	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(S[5a]C[5a]){3|H<1>,5|C<3>}	128.1450	0.448	2	128.1450	0.201	2	128.1450	0.201	2	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(CC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(CC){1|C<2>,1|H<1>,2|C<3>}	132.6110	0.123	2	132.6110	0.015	2	133.7690	2.264	5	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])(CN)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])(CN){1|C<4>,1|H<1>,4|C<3>}	133.0270	0.000	1	133.0270	0.000	1	133.7690	2.264	5	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]N)(CC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|C<2>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]N)(CC){1|H<1>,2|C<3>}	134.5460	0.000	1	134.5460	0.000	1	133.7690	2.264	5	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(CC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(CC){1|H<1>,2|C<3>}	136.0500	0.000	1	136.0500	0.000	1	133.7690	2.264	5	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[6a]){1|H<1>,1|N<2>,2|C<3>}	130.7470	0.052	2	130.7470	0.003	2	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[6a]){1|H<1>,1|N<2>,2|C<3>}	131.0402	0.321	6	131.0402	0.103	6	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ir)(NC[6])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ir<8>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ir)(NC[6]){1|H<1>,1|N<2>,2|C<3>}	132.3710	0.115	2	132.3710	0.013	2	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Os)(NC[6])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Os<6>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Os)(NC[6]){1|H<1>,1|N<2>,2|C<3>}	132.1600	0.571	2	132.1600	0.326	2	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Al)(NC[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Al<5>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Al)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	131.9692	0.601	8	131.9692	0.361	8	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Al)(NC[6])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Al<5>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Al)(NC[6]){1|H<1>,1|N<2>,2|C<3>}	131.2808	0.203	4	131.2808	0.041	4	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ca)(NP)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ca<10>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ca)(NP){1|H<1>,1|N<2>,2|C<3>}	132.5380	0.089	2	132.5380	0.008	2	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cd)(NC[5])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Cd<6>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cd)(NC[5]){1|H<1>,1|N<2>,2|C<3>}	131.8458	0.930	8	131.7027	0.795	10	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cd)(NC[5])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Cd<6>,1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cd)(NC[5]){1|H<1>,1|N<3>,2|C<3>}	131.1305	0.531	2	131.7027	0.795	10	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cd)(NC[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Cd<6>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cd)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	131.7382	1.277	4	131.7382	1.632	4	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cd)(NC[6])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Cd<6>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cd)(NC[6]){1|H<1>,1|N<2>,2|C<3>}	131.5165	0.478	4	131.5165	0.228	4	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Co)(NC[5])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Co<6>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Co)(NC[5]){1|H<1>,1|N<2>,2|C<3>}	131.6478	0.591	10	131.6478	0.349	10	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Co)(NC[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Co<5>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Co)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	132.4911	0.443	14	132.2366	0.456	60	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Co)(NC[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Co<5>,1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Co)(NC[5a]){1|H<1>,1|N<3>,2|C<3>}	132.2060	0.000	2	132.2366	0.456	60	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Co)(NC[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Co<6>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Co)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	132.2106	0.707	42	132.2366	0.456	60	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Co)(NC[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Co<6>,1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Co)(NC[5a]){1|H<1>,1|N<3>,2|C<3>}	131.0320	0.000	2	132.2366	0.456	60	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Co)(NC[6])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Co<4>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Co)(NC[6]){1|H<1>,1|N<2>,2|C<3>}	132.2710	0.530	2	131.5316	0.675	5	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Co)(NC[6])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Co<5>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Co)(NC[6]){1|H<1>,1|N<2>,2|C<3>}	131.0387	0.546	3	131.5316	0.675	5	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Co)(NC[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Co<5>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Co)(NC[6a]){1|H<1>,1|N<2>,2|C<3>}	133.6330	0.000	2	132.3285	1.049	8	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Co)(NC[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Co<6>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Co)(NC[6a]){1|H<1>,1|N<2>,2|C<3>}	131.8937	0.749	6	132.3285	1.049	8	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cr)(NC[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Cr<5>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cr)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	132.0785	0.641	53	132.0952	0.493	57	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cr)(NC[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Cr<6>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cr)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	132.3170	1.413	4	132.0952	0.493	57	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cu)(NC[5])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Cu<4>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cu)(NC[5]){1|H<1>,1|N<2>,2|C<3>}	131.7070	0.000	1	131.7070	0.000	1	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cu)(NC[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Cu<4>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cu)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	131.9801	0.764	15	131.9801	0.583	15	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cu)(NC[6])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Cu<5>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cu)(NC[6]){1|H<1>,1|N<2>,2|C<3>}	131.7760	0.535	2	131.7760	0.286	2	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Fe)(NC[5])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Fe<5>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Fe)(NC[5]){1|H<1>,1|N<2>,2|C<3>}	131.0165	0.192	2	131.4043	0.321	7	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Fe)(NC[5])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Fe<6>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Fe)(NC[5]){1|H<1>,1|N<2>,2|C<3>}	131.5594	0.606	5	131.4043	0.321	7	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Fe)(NC[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Fe<4>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Fe)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	132.1111	0.533	27	132.2133	0.416	76	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Fe)(NC[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Fe<6>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Fe)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	132.2696	0.698	49	132.2133	0.416	76	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Fe)(NC[6])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Fe<4>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Fe)(NC[6]){1|H<1>,1|N<2>,2|C<3>}	132.2485	1.109	2	131.8049	0.463	11	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Fe)(NC[6])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Fe<5>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Fe)(NC[6]){1|H<1>,1|N<2>,2|C<3>}	131.6183	0.594	7	131.8049	0.463	11	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Fe)(NC[6])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Fe<6>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Fe)(NC[6]){1|H<1>,1|N<2>,2|C<3>}	132.0145	0.746	2	131.8049	0.463	11	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|C<3>,1|N<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC){1|H<1>,1|N<2>,2|C<3>}	130.4042	0.239	4	130.4042	0.057	4	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[5])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|C<3>,1|N<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[5]){1|H<1>,1|N<2>,2|C<3>}	131.7830	0.912	5	131.2195	1.107	8	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[5])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[5]){1|H<1>,3|C<3>}	130.2803	0.311	3	131.2195	1.107	8	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|C<3>,1|N<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	131.5640	0.000	1	131.5640	0.000	1	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|C<3>,1|N<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[6a]){1|H<1>,1|N<2>,2|C<3>}	130.5626	0.478	13	130.5842	0.496	15	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|C<3>,1|N<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[6a]){1|H<1>,1|N<2>,2|C<3>}	132.1660	0.000	1	130.5842	0.496	15	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[6a]){1|H<1>,1|N<3>,2|C<3>}	129.2830	0.000	1	130.5842	0.496	15	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|C<3>,1|N<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NH){1|H<1>,1|N<2>,2|C<3>}	131.4400	0.000	1	131.4400	0.000	1	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NN)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|C<3>,1|N<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NN){1|H<1>,1|N<2>,2|C<3>}	131.1675	0.762	2	131.1675	0.580	2	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|C<3>,1|N<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NO){1|H<1>,1|N<2>,2|C<3>}	131.6440	0.000	1	131.6440	0.000	1	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ir)(NC[6])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ir<8>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ir)(NC[6]){1|H<1>,1|N<2>,2|C<3>}	130.6488	0.731	10	130.6488	0.534	10	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ir)(NC[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ir<7>,1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ir)(NC[6a]){1|H<1>,1|N<3>,2|C<3>}	131.7590	0.000	1	133.1886	0.382	9	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ir)(NC[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ir<8>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ir)(NC[6a]){1|H<1>,1|N<2>,2|C<3>}	133.3673	0.329	8	133.1886	0.382	9	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Li)(NC[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Li<4>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Li)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	132.8894	1.030	18	132.8894	1.060	18	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Li)(NC[6])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Li<4>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Li)(NC[6]){1|H<1>,1|N<2>,2|C<3>}	132.2525	0.053	2	132.3086	0.402	7	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Li)(NC[6])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Li<5>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Li)(NC[6]){1|H<1>,1|N<2>,2|C<3>}	132.4265	0.172	2	132.3086	0.402	7	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Li)(NC[6])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Li<5>,1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Li)(NC[6]){1|H<1>,1|N<3>,2|C<3>}	132.2673	1.081	3	132.3086	0.402	7	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Mg)(NC[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Mg<5>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Mg)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	132.6075	1.316	40	132.6075	1.731	40	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Mn)(NC[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Mn<5>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Mn)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	132.6029	1.017	15	132.4167	0.778	23	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Mn)(NC[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Mn<6>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Mn)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	132.0675	0.405	8	132.4167	0.778	23	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Mn)(NC[6])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Mn<6>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Mn)(NC[6]){1|H<1>,1|N<2>,2|C<3>}	132.3565	0.634	2	132.3565	0.402	2	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ni)(NC[5])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ni<4>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ni)(NC[5]){1|H<1>,1|N<2>,2|C<3>}	131.2245	0.253	4	131.2245	0.064	4	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ni)(NC[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ni<4>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ni)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	132.3515	0.383	6	132.3117	0.117	8	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ni)(NC[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ni<4>,1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ni)(NC[5a]){1|H<1>,1|N<3>,2|C<3>}	132.1925	0.218	2	132.3117	0.117	8	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ni)(NC[6])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ni<6>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ni)(NC[6]){1|H<1>,1|N<2>,2|C<3>}	131.8675	0.135	2	131.8675	0.018	2	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ni)(NC[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ni<4>,1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ni)(NC[6a]){1|H<1>,1|N<3>,2|C<3>}	132.1830	0.106	2	132.1830	0.011	2	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Pd)(NC[5])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Pd<4>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Pd)(NC[5]){1|H<1>,1|N<2>,2|C<3>}	132.1107	0.929	4	132.1107	0.863	4	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Pd)(NC[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Pd<4>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Pd)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	134.2260	0.000	1	134.2260	0.000	1	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Pd)(NC[6])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Pd<4>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Pd)(NC[6]){1|H<1>,1|N<2>,2|C<3>}	131.5230	0.000	1	131.5230	0.000	1	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Pd)(NC[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Pd<4>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Pd)(NC[6a]){1|H<1>,1|N<2>,2|C<3>}	131.8285	0.156	2	131.8285	0.024	2	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Pt)(NC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Pt<4>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Pt)(NC){1|H<1>,1|N<2>,2|C<3>}	131.2950	0.809	12	131.2950	0.655	12	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Pt)(NC[6])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Pt<4>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Pt)(NC[6]){1|H<1>,1|N<2>,2|C<3>}	131.0543	0.551	7	131.0543	0.304	7	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Re)(NC[5])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Re<6>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Re)(NC[5]){1|H<1>,1|N<2>,2|C<3>}	132.1370	0.000	1	131.6553	0.479	3	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Re)(NC[5])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Re<6>,1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Re)(NC[5]){1|H<1>,1|N<3>,2|C<3>}	131.4145	0.781	2	131.6553	0.479	3	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Re)(NC[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Re<6>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Re)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	131.1548	0.697	6	131.1548	0.486	6	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Re)(NC[6])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Re<6>,1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Re)(NC[6]){1|H<1>,1|N<3>,2|C<3>}	132.6640	0.000	1	132.6640	0.000	1	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Re)(NH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Re<6>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Re)(NH){1|H<1>,1|N<2>,2|C<3>}	131.5894	0.635	7	131.5894	0.403	7	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ru)(NC[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ru<6>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ru)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	132.4498	0.714	12	132.4498	0.510	12	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ru)(NC[6])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ru<5>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ru)(NC[6]){1|H<1>,1|N<2>,2|C<3>}	131.6710	0.275	6	131.7252	0.313	40	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ru)(NC[6])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ru<6>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ru)(NC[6]){1|H<1>,1|N<2>,2|C<3>}	131.7906	0.634	19	131.7252	0.313	40	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ru)(NC[6])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ru<7>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ru)(NC[6]){1|H<1>,1|N<2>,2|C<3>}	131.8550	0.510	8	131.7252	0.313	40	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ru)(NC[6])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ru<7>,1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ru)(NC[6]){1|H<1>,1|N<3>,2|C<3>}	130.4240	0.000	1	131.7252	0.313	40	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ru)(NC[6])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ru<8>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ru)(NC[6]){1|H<1>,1|N<2>,2|C<3>}	131.7332	0.431	4	131.7252	0.313	40	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ru)(NC[6])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ru<9>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ru)(NC[6]){1|H<1>,1|N<2>,2|C<3>}	131.3815	0.185	2	131.7252	0.313	40	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Sn)(NC[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Sn<4>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Sn)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	131.7704	0.771	32	131.6645	0.855	87	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Sn)(NC[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Sn<5>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Sn)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	131.5057	0.640	23	131.6645	0.855	87	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Sn)(NC[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Sn<6>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Sn)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	131.6727	1.207	32	131.6645	0.855	87	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Sn)(NC[6])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Sn<6>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Sn)(NC[6]){1|H<1>,1|N<2>,2|C<3>}	130.8665	0.189	2	130.8665	0.036	2	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ti)(NC[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ti<5>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ti)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	131.9829	0.516	8	132.0042	0.145	16	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ti)(NC[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ti<7>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ti)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	132.0255	0.208	8	132.0042	0.145	16	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]V)(NC[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|V<5>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]V)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	132.0030	0.451	23	132.0030	0.204	23	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Zn)(NC[5])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Zn<4>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Zn)(NC[5]){1|H<1>,1|N<2>,2|C<3>}	130.7067	0.269	4	130.9318	0.325	6	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Zn)(NC[5])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Zn<6>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Zn)(NC[5]){1|H<1>,1|N<2>,2|C<3>}	131.3820	0.895	2	130.9318	0.325	6	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Zn)(NC[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Zn<4>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Zn)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	132.4758	0.842	4	132.4585	0.335	42	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Zn)(NC[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Zn<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Zn)(NC[5a]){1|H<1>,3|C<3>}	132.5270	0.348	4	132.4585	0.335	42	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Zn)(NC[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Zn<5>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Zn)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	132.4484	0.583	34	132.4585	0.335	42	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Zn)(NC[6])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Zn<6>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Zn)(NC[6]){1|H<1>,1|N<2>,2|C<3>}	133.1850	0.515	2	133.1850	0.265	2	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Zn)(NC[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Zn<4>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Zn)(NC[6a]){1|H<1>,1|N<2>,2|C<3>}	131.3640	0.661	4	131.3640	0.437	4	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Zr)(NC[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Zr<8>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Zr)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	131.9599	3.197	8	131.9599	10.220	8	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Fe)(NC[6])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Fe<6>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Fe)(NC[6]){1|H<1>,1|N<2>,2|C<3>}	130.3285	0.528	2	130.3285	0.279	2	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	130.3330	0.068	2	130.3330	0.005	2	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[6a]){1|H<1>,1|N<2>,2|C<3>}	129.0960	0.000	1	129.0960	0.000	1	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Mn)(NC[6])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Mn<6>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Mn)(NC[6]){1|H<1>,1|N<2>,2|C<3>}	130.6140	0.451	2	130.6140	0.204	2	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ni)(NC[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ni<4>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ni)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	132.1310	0.268	4	132.1310	0.072	4	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Zn)(NC[6])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Zn<6>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Zn)(NC[6]){1|H<1>,1|N<2>,2|C<3>}	130.9425	1.326	2	130.9425	1.758	2	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Fe)(NC[5a])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Fe<6>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|N<2>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Fe)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	130.0615	0.221	2	130.0615	0.049	2	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(NC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(NC){1|H<1>,4|C<3>}	133.8790	0.000	1	133.8790	0.000	1	131.9477	0.936	755	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:Se-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Se)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(SeC[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Se)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|Se<2>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(SeC[6a]){1|H<1>,4|C<3>}	133.9730	0.000	1	133.9730	0.000	1	133.9730	0.000	1	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]O){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O){1|C<2>,1|C<3>,1|N<2>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	134.7110	0.000	1	134.7110	0.000	1	134.7110	0.000	1	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:O-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(OC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]N[6a]O){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(OC){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	133.3263	0.329	6	133.3263	0.108	6	133.3263	0.108	6	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:O-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(OH)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]O){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H){2|O<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(OH){1|H<1>,2|C<3>}	133.3480	0.000	1	133.3480	0.000	1	133.3480	0.000	1	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]S){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(H){1|O<2>,1|S<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC){1|H<1>,2|C<3>}	134.4880	0.000	1	134.4880	0.000	1	133.1732	10.234	4	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]C[5a])2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]S){2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])2(H){2|O<2>,2|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC){1|H<1>,2|C<3>}	134.9080	0.259	2	134.9080	0.067	2	133.1732	10.234	4	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(SC)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]S){1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H){2|S<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(SC){1|H<1>,2|C<3>}	128.3890	0.000	1	128.3890	0.000	1	133.1732	10.234	4	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:Se-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]Se)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(SeC)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]Se){1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H){1|Se<2>,1|S<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(SeC){1|H<1>,2|C<3>}	128.2300	0.000	1	128.2300	0.000	1	128.2300	0.000	1	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-2:	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)(NC[6a])	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]N){1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,1|S<2>,2|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)(NC[6a]){1|C<3>,1|H<1>,1|N<2>}	127.9450	0.000	1	127.9450	0.000	1	127.9450	0.000	1	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(SC)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]S){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,2|S<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(SC){1|H<1>,2|C<3>}	128.6100	0.000	1	128.6100	0.000	1	128.6100	0.000	1	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(C[5a]N[5a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Co)(NC[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(C[5a]N[5a]N){1|Co<6>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Co)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	130.9780	1.332	4	130.9780	1.775	4	131.9532	0.654	24	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(C[5a]N[5a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Sn)(NC[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(C[5a]N[5a]N){1|Sn<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Sn)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	132.1974	0.329	16	132.1482	0.271	20	131.9532	0.654	24	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(C[5a]N[5a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Sn)(NC[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(C[5a]N[5a]N){1|Sn<6>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Sn)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	131.9513	1.053	4	132.1482	0.271	20	131.9532	0.654	24	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[5a]-3:O-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(C[5a]C[5a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(Br)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(OC[6])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(C[5a]C[5a]O){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(Br){1|Br<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(OC[6]){1|Br<1>,3|C<3>}	134.9445	0.093	2	134.9445	0.009	2	134.9445	0.009	2	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(C[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Cl)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SC[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(C[5a]C[5a]S){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Cl){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SC[5a]){1|Cl<1>,1|H<1>,2|C<3>}	137.7840	0.000	1	137.7840	0.000	1	137.7840	0.000	1	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5]C[5]N[5])(N[5a]N[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5]C[5]N[5])(N[5a]N[5a]){1|C<4>,1|H<1>,5|C<3>}	138.4570	0.000	1	138.4570	0.000	1	138.4570	0.000	1	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-2:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]N[5a,6a]C[6a])(CN)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]N[5a,6a]C[6a])(CN){1|H<1>,1|N<2>,3|C<3>}	134.6260	0.000	1	134.6260	0.000	1	134.6260	0.000	1	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CN)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CN){1|H<1>,3|C<3>}	134.6923	0.258	3	134.5497	0.126	4	134.4796	2.265	7	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CN)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CN){1|H<1>,3|C<3>}	134.1220	0.000	1	134.5497	0.126	4	134.4796	2.265	7	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CN)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|C<2>,1|H<1>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CN){1|H<1>,3|C<3>}	133.7250	0.000	1	133.7250	0.000	1	134.4796	2.265	7	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CN)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|C<2>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CN){1|H<1>,3|C<3>}	132.2150	0.000	1	132.2150	0.000	1	134.4796	2.265	7	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CN)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CN){1|H<1>,4|C<3>}	137.2180	0.000	1	137.2180	0.000	1	134.4796	2.265	7	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:O-2:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(OC)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(OC){1|H<1>,3|C<3>}	134.1850	0.000	1	134.1850	0.000	1	134.5876	9.865	5	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:O-2:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(OC)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|O<2>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(OC){1|H<1>,3|C<3>}	131.6015	1.070	2	131.6015	1.145	2	134.5876	9.865	5	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:O-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])(OC)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])(OC){1|H<1>,4|C<3>}	137.7750	0.000	2	137.7750	0.000	2	134.5876	9.865	5	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(SC)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(SC){1|H<1>,3|C<3>}	133.1950	0.000	1	133.1950	0.000	1	135.2030	8.064	2	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]S)(SC)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]S)(SC){1|H<1>,2|C<3>}	137.2110	0.000	1	137.2110	0.000	1	135.2030	8.064	2	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){4|C<3>,4|H<1>}	136.9130	0.000	1	136.9130	0.000	1	138.0372	0.518	5	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|P<3>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){3|H<1>,4|C<3>}	137.7200	0.000	1	137.7200	0.000	1	138.0372	0.518	5	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5a]){2|H<1>,4|C<3>}	138.5177	0.090	3	138.5177	0.008	3	138.0372	0.518	5	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C-2:	C[5a,6a](N[5a,6a]C[6a,6a]B[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]B[5a]N)(CN)	C[5a,6a](N[5a,6a]C[6a,6a]B[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>,2|F<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|B<4>,1|C<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]B[5a]N)(CN){1|H<1>,2|C<3>,2|F<1>}	128.3100	0.426	2	128.3100	0.181	2	128.3100	0.181	2	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(C[5a]C[5a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(Br)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CN)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(Br){1|C<2>,1|H<1>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CN){1|Br<1>,3|C<3>}	134.8967	0.491	3	134.8967	0.241	3	134.8967	0.241	3	132.5948	3.410	1122	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]N[5a,6]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	C[6a](C[5a,6a]C[5a,6,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]N[5a,6]C)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	136.4195	0.161	2	136.4195	0.026	2	136.4195	0.026	2	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]N[5a,6a]C[6a])(COO)	C[5a,6a](C[5a,6a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]N[5a,6a]C[6a])(COO){1|H<1>,5|C<3>}	134.6530	0.000	1	134.6530	0.000	1	134.6530	0.000	1	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]N)(NC[6a]In)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[5a,6a]H)(H){1|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]N)(NC[6a]In){1|H<1>,3|C<3>}	137.9570	0.000	1	137.9570	0.000	1	137.9009	0.142	7	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]N)(NC[6a]Pd)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[5a,6a]H)(H){1|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]N)(NC[6a]Pd){1|H<1>,3|C<3>}	138.0537	0.245	4	138.0537	0.060	4	137.9009	0.142	7	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]N)(NC[6a]Te)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[5a,6a]H)(H){1|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]N)(NC[6a]Te){1|H<1>,3|C<3>}	137.5670	0.593	2	137.5670	0.351	2	137.9009	0.142	7	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a]C[5a,6a]C)(CC[4a]H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a]C[5a,6a]C)(CC[4a]H){1|H<1>,3|C<3>}	132.0470	0.000	1	132.0470	0.000	1	134.3415	3.735	4	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a]C[5a,6a]S)(CC[6a]H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|H<1>,1|S<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a]C[5a,6a]S)(CC[6a]H){1|H<1>,3|C<3>}	134.3275	0.739	2	134.3275	0.546	2	134.3415	3.735	4	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a]C[5a,6a]S)(CC[6a]S)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|H<1>,1|S<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a]C[5a,6a]S)(CC[6a]S){1|H<1>,3|C<3>}	136.6640	0.000	1	136.6640	0.000	1	134.3415	3.735	4	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5,6a]-3:C[5a,6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]C[5a,5a]C)(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[5a])(H)	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(CC[6a]2)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]C[5a,5a]C)(C[6a]C[5,6a]H){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[5a])(H){1|S<2>,6|C<3>}	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(CC[6a]2){1|S<2>,2|H<1>,3|C<3>}	130.9990	0.000	1	130.9990	0.000	1	130.9990	0.000	1	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5,6a]-3:C[5a,6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]C[5a,5a]C[6a])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[5a])(H)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]C[5a,5a]C[6a])(C[6a]C[5,6a]H){1|H<1>,1|S<2>,5|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[5a])(H){7|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|F<1>,6|C<3>}	131.1935	0.272	2	131.1935	0.074	2	131.1935	0.074	2	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[5a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[5,6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[5a])(H){7|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	129.5950	0.000	1	129.5950	0.000	1	129.5950	0.000	1	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[5,6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5,5])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]S[5])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[5,6a]H){1|H<1>,1|S<4>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5,5])(H){7|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]S[5])(C[6a]C[6a]2){1|H<1>,2|C<4>,2|O<1>,6|C<3>}	129.4940	0.000	1	129.4940	0.000	1	129.4940	0.000	1	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6a]C[5,6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])2(C[5a]C[5a]O[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6a]C[5,6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(H){7|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])2(C[5a]C[5a]O[5a]){2|H<1>,7|C<3>}	132.4760	0.000	1	132.4760	0.000	1	132.4760	0.000	1	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[5,6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[5,6a]H){1|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(H){7|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	128.1660	0.000	1	128.1660	0.000	1	128.1660	0.000	1	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5,6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5,6a]H){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,2|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	133.8450	0.000	1	133.8450	0.000	1	134.4420	1.352	3	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5,6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5,6a]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,2|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]2){3|H<1>,4|C<3>}	133.6990	0.000	1	133.6990	0.000	1	134.4420	1.352	3	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5,6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5,6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H){1|O<2>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(C[6a]C[6a]2){3|H<1>,4|C<3>}	135.7820	0.000	1	135.7820	0.000	1	134.4420	1.352	3	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[5a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]N[6])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[5a,6a]H){1|B<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[5a])(H){1|B<4>,1|N<3>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]N[6])(C[6a]C[6a]2){1|B<4>,3|H<1>,5|C<3>}	132.7430	0.631	2	132.7430	0.398	2	132.7430	0.398	2	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(H){1|O<2>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	133.6500	0.525	5	133.6500	0.276	5	134.4396	0.778	11	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5a,6a]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(H){1|O<2>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]2){3|H<1>,4|C<3>}	135.3870	0.745	2	135.3870	0.555	2	134.4396	0.778	11	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(H){1|O<2>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N)(C[6a]C[6a]2){1|H<1>,2|F<1>,4|C<3>}	134.8680	0.182	3	134.9530	0.051	4	134.4396	0.778	11	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(H){1|O<2>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N)(C[6a]C[6a]2){1|H<1>,2|F<1>,4|C<3>}	135.2080	0.000	1	134.9530	0.051	4	134.4396	0.778	11	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a,6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a,6a]H){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,6|C<3>}	C[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,2|C<4>,6|C<3>}	129.7670	0.000	1	129.7670	0.000	1	129.7670	0.000	1	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a,6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a,6a]H){1|B<4>,1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,1|N<3>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2){1|N<3>,2|F<1>,3|H<1>,5|C<3>}	132.1700	0.030	2	132.1700	0.001	2	132.1700	0.001	2	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a,6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a,6a]O){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(O){1|H<1>,2|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	133.4320	0.000	1	133.4320	0.000	1	129.3872	26.158	5	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a,6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a,6a]O){1|C<4>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(O){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	136.3130	0.000	1	136.3130	0.000	1	129.3872	26.158	5	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]S[5a]S[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a,6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]S[5a]S[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a,6a]O){1|N<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(O){1|H<1>,2|S<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)(C[6a]C[6a]2){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	126.0810	0.000	1	125.7303	0.092	3	129.3872	26.158	5	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]S[5a]S[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a,6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]S[5a]S[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a,6a]O){1|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(O){1|H<1>,2|S<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)(C[6a]C[6a]2){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	125.5550	0.023	2	125.7303	0.092	3	129.3872	26.158	5	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5,5a]-3:C[5a,6a]-3:B[5]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]B[5])(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F)	C[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(B[5]O[5]2)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]B[5])(C[6a]C[6a]F){2|F<1>,2|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F){1|B<3>,1|F<1>,3|C<3>}	C[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(B[5]O[5]2){1|F<1>,2|C<4>,5|C<3>}	131.1580	0.000	1	131.1580	0.000	1	131.1580	0.000	1	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,5a]-3:C[5a,6a]-3:C[5]-3:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]C[5])(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F)	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]C[5])(C[6a]C[6a]F){1|N<2>,2|F<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F){1|F<1>,1|N<3>,3|C<3>}	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]){1|F<1>,2|H<1>,6|C<3>}	134.2200	0.000	1	133.6560	0.636	2	133.6560	0.636	2	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,5a]-3:C[5a,6a]-3:C[5]-3:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]C[5])(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F)	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]C[5])(C[6a]C[6a]F){1|N<2>,2|F<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F){1|N<3>,1|O<2>,3|C<3>}	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]){1|F<1>,2|H<1>,6|C<3>}	133.0920	0.000	1	133.6560	0.636	2	133.6560	0.636	2	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,5a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]C[5a])(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F)	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]C[5a])(C[6a]C[6a]F){1|N<3>,2|F<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F){1|F<1>,1|N<3>,3|C<3>}	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|F<1>,3|H<1>,6|C<3>}	133.5565	0.404	2	133.5565	0.163	2	133.5565	0.163	2	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(F)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(COO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]F){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(F){1|F<1>,1|N<3>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(COO){1|F<1>,1|H<1>,2|C<3>}	137.4010	0.494	2	137.4010	0.244	2	137.4010	0.244	2	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(F)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]F){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(F){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|F<1>,2|H<1>,6|C<3>}	136.3420	0.000	1	136.3420	0.000	1	136.3420	0.000	1	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]B)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]F){1|B<4>,2|F<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F){1|F<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]B){3|F<1>,4|C<3>}	135.6660	0.839	3	135.6660	0.704	3	135.6660	0.704	3	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:N[5a,6]-3:N-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]N)(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(NC[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]N)(C[6a]C[6a]F){1|B<4>,2|C<3>,2|F<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F){1|F<1>,2|C<3>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(NC[6a]H){1|N<3>,3|C<3>,3|F<1>}	134.7180	0.000	1	134.7180	0.000	1	134.7180	0.000	1	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C[5a])(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a]){2|H<1>,7|C<3>}	131.3460	0.000	1	131.3460	0.000	1	131.3460	0.000	1	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	C[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	130.6320	0.000	1	130.6320	0.000	1	130.8046	4.293	5	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	129.1395	2.228	2	129.1395	4.964	2	130.8046	4.293	5	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5,5a]C[5,6a]N[5,5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5,5a]C[5,6a]N[5,5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,1|O<2>,7|C<3>}	133.0550	0.000	1	133.0550	0.000	1	130.8046	4.293	5	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5,5a]C[5,5a]N[5,5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5,5a]C[5,5a]N[5,5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	132.0570	0.000	1	132.0570	0.000	1	130.8046	4.293	5	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(CCN)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(CCN){1|H<1>,2|N<2>,3|C<3>}	135.0725	0.203	2	135.0725	0.041	2	135.0725	0.041	2	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H){2|H<1>,2|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|Zn<5>,2|H<1>,6|C<3>}	131.1635	0.039	2	131.1635	0.002	2	130.1987	1.244	4	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,5a])(C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,5a])(C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,2|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|N<3>,4|C<3>}	C[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2){1|H<1>,2|C<4>,6|C<3>}	129.2340	0.082	2	129.2340	0.007	2	130.1987	1.244	4	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(CHO)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(CHO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	133.8590	0.000	1	133.8590	0.000	1	134.1090	0.125	2	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(CCH)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(CCH){1|C<4>,1|H<1>,4|C<3>}	134.3590	0.000	1	134.3590	0.000	1	134.1090	0.125	2	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	131.0580	0.000	1	131.0580	0.000	1	132.3307	1.074	7	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	131.4430	0.000	1	132.5428	0.911	6	132.3307	1.074	7	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,6|C<3>}	133.6860	0.004	2	132.5428	0.911	6	132.3307	1.074	7	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	132.1473	0.363	3	132.5428	0.911	6	132.3307	1.074	7	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:N-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(NC[6a]Pd)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]N)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(NC[6a]Pd){1|B<4>,1|H<1>,1|N<3>,3|C<3>}	134.0320	0.743	3	134.0320	0.552	3	134.0320	0.552	3	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a,6a]-3:N-3:	C[5a,6a](C[5a,6a]N[5a,6a,6a]C[6a])(C[5a]C[5a,6a,6a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a,6a]N[5a,6a,6a]B[3x6a])(C[5a,6a]C[5a,6a]C[6a])(NC[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a,6a]C[6a])(C[5a]C[5a,6a,6a]N)(C[6a]C[6a]H){1|C<3>,2|B<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a](C[5a,6a,6a]N[5a,6a,6a]B[3x6a])(C[5a,6a]C[5a,6a]C[6a])(NC[6a]H){1|B<4>,1|H<1>,1|N<3>,4|C<3>}	132.8530	0.000	1	132.8530	0.000	1	132.8530	0.000	1	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]B[5a]C[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]2)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]B[5a]C[5a])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]2)(C[5a]N[5a]H){1|C<4>,1|H<1>,4|C<3>}	133.2700	0.000	1	133.2700	0.000	1	133.3765	0.023	2	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]B[5a]C[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]2)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]B[5a]C[5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|F<1>,2|H<1>,2|O<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]2)(C[5a]N[5a]H){1|C<4>,1|H<1>,4|C<3>}	133.4830	0.000	1	133.4830	0.000	1	133.3765	0.023	2	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a])(C[5a]N[5a]H){2|C<3>,2|H<1>}	135.1410	0.000	1	135.1410	0.000	1	135.1410	0.000	1	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[4,5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[4,5a]C[6a])(C[5a]C[4,5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[4,5a]N[4,5a]C[4])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[4,5a]C[6a])(C[5a]C[4,5a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[4,5a]N[4,5a]C[4])(C[6a]C[6a]2){1|C<4>,4|C<3>,5|H<1>}	133.6000	0.000	1	133.6000	0.000	1	133.6000	0.000	1	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[4a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[4a]C[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[4a]C[4a]2)(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[4a]C[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[4a]C[4a]2)(C[5a]N[5a]C){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	134.7510	0.140	2	134.7510	0.020	2	134.2970	0.628	3	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[4a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[4a]C[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[4a]C[4a]2)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[4a]C[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[4a]C[4a]2)(C[5a]N[5a]H){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	133.3890	0.000	1	133.3890	0.000	1	134.2970	0.628	3	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C-3:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(COO)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(COO){2|C<4>,2|H<1>,3|C<3>}	133.7550	0.000	1	133.7550	0.000	1	134.0776	0.204	5	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C-3:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[3,5])(CHO)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[3,5])(CHO){1|H<1>,3|C<3>,3|C<4>}	134.2170	0.000	1	134.2170	0.000	1	134.0776	0.204	5	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C-3:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(CC[6a]O)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(CC[6a]O){2|C<3>,2|C<4>,3|H<1>}	134.5910	0.000	1	134.5910	0.000	1	134.0776	0.204	5	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C-3:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(COO)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(COO){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	134.3450	0.000	1	134.3450	0.000	1	134.0776	0.204	5	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C-3:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]S[5])(CCO)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]S[5])(CCO){1|C<4>,1|H<1>,3|C<3>}	133.4800	0.000	1	133.4800	0.000	1	134.0776	0.204	5	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	133.3060	0.000	1	134.8828	0.961	11	134.8828	0.961	11	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	132.9470	0.000	1	134.8828	0.961	11	134.8828	0.961	11	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(C[6a]C[6a]2){4|H<1>,7|C<3>}	134.8430	0.000	1	134.8828	0.961	11	134.8828	0.961	11	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(C[6a]C[6a]2){1|C<4>,5|C<3>,5|H<1>}	135.4086	0.623	5	134.8828	0.961	11	134.8828	0.961	11	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(C[6a]C[6a]2){2|C<4>,4|C<3>,5|H<1>}	135.1907	0.281	3	134.8828	0.961	11	134.8828	0.961	11	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5]C[5])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5]C[5])(C[5a]N[5a]H){1|Se<2>,1|C<4>,1|H<1>,5|C<3>}	134.2650	0.000	1	134.2650	0.000	1	134.3732	1.299	17	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6]C[5])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6]C[5])(C[5a]N[5a]H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	134.5440	0.000	1	134.5440	0.000	1	134.3732	1.299	17	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5])(C[5a]C[6a]N[5a]){1|H<1>,1|O<2>,2|C<4>,6|C<3>}	133.4360	0.000	1	133.4360	0.000	1	134.3732	1.299	17	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5])(C[5a]N[5a]C){2|C<4>,2|H<1>,4|C<3>}	134.3700	0.000	1	133.8307	0.350	3	134.3732	1.299	17	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5])(C[5a]N[5a]C){1|C<4>,3|H<1>,4|C<3>}	133.5610	0.513	2	133.8307	0.350	3	134.3732	1.299	17	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]N[5a]C){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	134.5190	0.000	1	134.5190	0.000	1	134.3732	1.299	17	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]N[5a]H){1|H<1>,1|N<2>,1|O<1>,2|C<4>,3|C<3>}	135.4150	0.000	1	135.0650	0.227	4	134.3732	1.299	17	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]N[5a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	134.3610	0.000	1	135.0650	0.227	4	134.3732	1.299	17	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]N[5a]H){1|O<1>,2|H<1>,4|C<3>}	135.2420	0.000	2	135.0650	0.227	4	134.3732	1.299	17	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5])(C[5a]N[5a]H){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	135.0154	0.348	5	135.0154	0.121	5	134.3732	1.299	17	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]S[5])(C[5a]S[5a]N)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]S[5])(C[5a]S[5a]N){1|H<1>,1|O<1>,4|C<3>}	130.7510	0.000	1	130.7510	0.000	1	134.3732	1.299	17	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CCN)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CCN){1|H<1>,3|C<3>,3|C<4>}	132.4490	0.956	2	132.4490	0.914	2	133.2157	2.220	3	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CHO)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CHO){2|C<3>,2|H<1>,3|C<4>}	134.7490	0.000	1	134.7490	0.000	1	133.2157	2.220	3	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[5,6])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[5,6])(C[6a]C[6a]2){2|C<4>,4|H<1>,5|C<3>}	133.2320	0.000	1	133.2320	0.000	1	134.2340	0.783	3	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(C[6a]C[6a]2){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	134.9090	0.000	1	134.9090	0.000	1	134.2340	0.783	3	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]Si[6])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H){1|Si<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]Si[6])(C[6a]C[6a]2){3|C<4>,3|H<1>,5|C<3>}	134.5610	0.000	1	134.5610	0.000	1	134.2340	0.783	3	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CCC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CCC){1|H<1>,5|C<3>}	131.1460	0.000	1	131.1460	0.000	1	132.5952	1.270	8	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])2(COO)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])2(COO){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	133.6510	0.000	1	133.8690	0.095	2	132.5952	1.270	8	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])2(COO)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])2(COO){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	134.0870	0.000	1	133.8690	0.095	2	132.5952	1.270	8	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(CCC)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(CCC){1|C<4>,1|H<1>,4|C<3>}	132.9473	0.613	3	132.9473	0.376	3	132.5952	1.270	8	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(CCH)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(CCH){1|C<4>,1|H<1>,4|C<3>}	131.5800	0.000	1	131.5800	0.000	1	132.5952	1.270	8	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(CHN)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(CHN){1|C<4>,1|H<1>,4|C<3>}	131.4560	0.000	1	131.4560	0.000	1	132.5952	1.270	8	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5]-3:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])2(C[5]S[5]2)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]C[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>,2|S<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])2(C[5]S[5]2){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	134.6885	0.255	2	134.7390	0.070	4	134.7390	0.070	4	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5]-3:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])2(C[5]S[5]2)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]C[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>,2|S<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])2(C[5]S[5]2){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	134.7895	0.367	2	134.7390	0.070	4	134.7390	0.070	4	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])2(C[5a]C[5a]O[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])2(C[5a]C[5a]O[5a]){2|H<1>,7|C<3>}	133.1690	0.000	1	133.1690	0.000	1	133.1690	0.000	1	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5,6a]H)(H){5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	129.1587	0.562	3	129.1587	0.316	3	130.5431	1.694	13	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	130.2067	0.358	3	130.2067	0.128	3	130.5431	1.694	13	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	130.4992	1.029	4	130.4992	1.058	4	130.5431	1.694	13	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[6a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	131.9190	0.000	1	131.9190	0.000	1	130.5431	1.694	13	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,3|H<1>,6|C<3>}	132.9890	0.000	1	132.5240	0.432	2	130.5431	1.694	13	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	132.0590	0.000	1	132.5240	0.432	2	130.5431	1.694	13	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(NC[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]N)(C[6a]C[6a]H){1|F<1>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(NC[6a]H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	132.7200	0.000	1	132.7200	0.000	1	132.7200	0.000	1	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a]N[5a])	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a]N[5a]){1|C<2>,1|N<2>,2|H<1>,5|C<3>}	134.6860	0.000	1	134.6860	0.000	1	134.6860	0.000	1	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:B[5]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]B[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(B[5]O[5]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]B[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(B[5]O[5]2){1|H<1>,2|C<3>,3|C<4>}	134.0725	0.521	2	134.0725	0.272	2	134.0725	0.272	2	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO){1|C<3>,1|N<3>,2|H<1>}	134.7530	0.000	1	134.7530	0.000	1	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]O)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]O){1|C<4>,1|H<1>,2|C<3>}	131.2670	0.000	1	131.2670	0.000	1	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCO){1|C<4>,1|H<1>,2|C<3>}	134.3385	0.192	2	134.3385	0.037	2	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]C){1|C<4>,1|H<1>,2|C<3>}	134.6190	0.000	1	134.6190	0.000	1	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHN){2|C<3>,2|H<1>}	134.1804	0.353	7	134.1804	0.125	7	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(COO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(COO){1|C<4>,1|H<1>,2|C<3>}	134.9590	0.000	1	134.1787	0.399	4	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(COO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|Br<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(COO){2|C<3>,2|H<1>}	133.8740	0.000	1	134.1787	0.399	4	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(COO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(COO){2|C<3>,2|H<1>}	134.3790	0.000	1	134.1787	0.399	4	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(COO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|Br<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(COO){1|H<1>,3|C<3>}	133.5030	0.000	1	134.1787	0.399	4	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(COO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(COO){2|H<1>,4|C<3>}	134.8300	0.000	1	134.8300	0.000	1	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCC){1|H<1>,1|S<4>,2|C<3>}	132.2560	0.000	1	132.2560	0.000	1	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]O){2|C<3>,2|H<1>}	134.0290	0.000	1	134.0290	0.000	1	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(COO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(COO){1|H<1>,1|N<3>,2|C<3>}	134.6940	0.000	1	134.6875	0.000	2	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(COO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(COO){2|C<3>,2|H<1>}	134.6810	0.000	1	134.6875	0.000	2	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[3])(CC[6a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[3])(CC[6a]O){2|C<3>,2|C<4>,3|H<1>}	134.6070	0.000	1	134.6070	0.000	1	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHN){2|C<3>,2|H<1>}	134.4960	0.000	1	134.4960	0.000	1	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHO){2|C<3>,2|H<1>}	134.6690	0.000	1	134.6690	0.000	1	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|S<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCO){2|C<3>,2|H<1>}	136.1450	0.000	1	136.1450	0.000	1	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCC){1|H<1>,3|C<3>}	133.8870	0.000	1	133.8870	0.000	1	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]C){2|C<3>,2|H<1>}	134.8340	0.000	1	134.8340	0.000	1	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHN){2|C<3>,2|H<1>}	134.2975	0.074	4	134.2975	0.005	4	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(COO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(COO){2|C<3>,2|H<1>}	134.6830	0.000	1	134.6830	0.000	1	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|F<1>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCO){2|C<3>,2|H<1>}	134.4260	0.085	2	134.4260	0.007	2	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(COO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|F<1>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(COO){2|C<3>,2|H<1>}	135.1990	0.000	1	135.1990	0.000	1	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CCO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CCO){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	134.0900	0.000	1	134.0900	0.000	1	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCC){1|C<4>,1|H<1>,4|C<3>}	135.1320	0.000	1	133.6873	1.600	3	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCC){1|H<1>,5|C<3>}	132.9650	0.262	2	133.6873	1.600	3	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	133.6435	0.309	2	133.3790	2.195	8	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCH){1|H<1>,1|S<4>,4|C<3>}	131.9940	0.747	3	133.3790	2.195	8	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCH){2|H<1>,4|C<3>}	135.3855	0.240	2	133.3790	2.195	8	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCH){1|H<1>,5|C<3>}	132.9920	0.000	1	133.3790	2.195	8	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCO){1|H<1>,1|S<4>,4|C<3>}	133.1650	0.000	1	134.4356	0.796	7	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCO){1|H<1>,1|S<4>,4|C<3>}	133.1540	0.000	1	134.4356	0.796	7	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCO){2|H<1>,4|C<3>}	135.1800	0.000	1	134.4356	0.796	7	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCO){2|H<1>,4|C<3>}	134.8875	0.224	4	134.4356	0.796	7	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[5]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[5]C){1|C<4>,1|H<1>,4|C<3>}	134.3090	0.086	2	134.3090	0.007	2	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]C){1|C<4>,1|H<1>,4|C<3>}	134.1593	0.566	3	134.1593	0.320	3	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]O){2|H<1>,4|C<3>}	134.8287	0.503	4	134.9788	0.302	5	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]O){2|H<1>,4|C<3>}	135.5790	0.000	1	134.9788	0.302	5	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CHO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CHO){1|C<4>,1|H<1>,4|C<3>}	134.1280	0.231	2	134.1450	0.027	3	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CHO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CHO){2|H<1>,4|C<3>}	134.1790	0.000	1	134.1450	0.027	3	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(COO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(COO){1|H<1>,5|C<3>}	133.6530	0.086	2	134.5252	0.675	5	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(COO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(COO){1|C<4>,1|H<1>,4|C<3>}	135.0090	0.000	1	134.5252	0.675	5	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(COO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(COO){1|H<1>,1|O<2>,4|C<3>}	135.4240	0.000	1	134.5252	0.675	5	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(COO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(COO){2|H<1>,4|C<3>}	134.8870	0.000	1	134.5252	0.675	5	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]B)(CHN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]B)(CHN){1|C<4>,1|H<1>,2|C<3>}	138.0930	0.000	1	138.0930	0.000	1	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCC){1|H<1>,1|S<4>,2|C<3>}	133.2140	0.000	1	133.2140	0.000	1	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCH){1|H<1>,1|S<4>,2|C<3>}	133.1512	0.492	6	133.4154	1.282	12	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCH){2|C<3>,2|H<1>}	136.0670	0.000	1	133.4154	1.282	12	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCH){1|H<1>,3|C<3>}	132.4830	0.740	2	133.4154	1.282	12	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCH){2|C<3>,2|H<1>}	134.2905	0.848	2	133.4154	1.282	12	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCH){1|H<1>,3|C<3>}	132.4640	0.000	1	133.4154	1.282	12	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCN){1|C<4>,1|H<1>,2|C<3>}	134.9470	0.000	1	134.9470	0.000	1	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCO){1|H<1>,1|S<4>,2|C<3>}	133.7562	0.903	5	133.6293	1.294	15	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCO){2|C<3>,2|H<1>}	136.2230	0.000	1	133.6293	1.294	15	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCO){1|C<4>,1|H<1>,2|C<3>}	134.9570	0.000	1	133.6293	1.294	15	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCO){1|H<1>,1|S<4>,2|C<3>}	132.7072	0.315	6	133.6293	1.294	15	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCO){2|C<3>,2|H<1>}	134.1175	0.460	2	133.6293	1.294	15	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCS)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCS){1|C<4>,1|H<1>,2|C<3>}	135.4370	0.000	1	135.4370	0.000	1	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5]C){1|C<4>,1|H<1>,2|C<3>}	134.2983	0.400	7	134.2983	0.160	7	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5]H){2|C<3>,2|H<1>}	133.8850	0.000	1	133.8850	0.000	1	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5a]H){1|C<4>,1|H<1>,2|C<3>}	135.0895	0.325	2	135.0895	0.105	2	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5a]O){1|H<1>,1|S<4>,2|C<3>}	132.7680	0.000	1	132.7680	0.000	1	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]H){2|C<3>,2|H<1>}	134.1290	0.000	1	134.4005	0.147	2	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]H){1|C<4>,1|H<1>,2|C<3>}	134.6720	0.000	1	134.4005	0.147	2	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]C){1|H<1>,1|S<4>,2|C<3>}	132.2323	0.299	3	132.8890	1.784	4	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]C){2|C<3>,2|H<1>}	134.8590	0.000	1	132.8890	1.784	4	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]O){1|H<1>,1|S<4>,2|C<3>}	133.2694	0.490	5	134.1821	1.168	11	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]O){2|C<3>,2|H<1>}	135.1933	0.879	4	134.1821	1.168	11	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]O){2|C<3>,2|H<1>}	134.4415	0.107	2	134.1821	1.168	11	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CClC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CClC){1|H<1>,1|S<4>,2|C<3>}	132.4920	0.000	1	132.4920	0.000	1	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CHN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CHN){2|C<3>,2|H<1>}	135.0177	0.339	3	134.3603	1.806	4	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CHN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CHN){1|H<1>,3|C<3>}	132.3880	0.000	1	134.3603	1.806	4	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CHO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CHO){1|H<1>,1|S<4>,2|C<3>}	133.1360	0.000	1	132.9207	2.717	6	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CHO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CHO){1|C<4>,1|H<1>,2|C<3>}	134.0550	0.000	1	132.9207	2.717	6	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CHO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CHO){1|H<1>,3|C<3>}	132.7940	0.000	1	132.9207	2.717	6	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CHO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CHO){2|C<3>,2|H<1>}	132.5130	2.422	3	132.9207	2.717	6	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CNO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CNO){1|C<4>,1|H<1>,2|C<3>}	134.3260	0.078	2	134.3260	0.006	2	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(COO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(COO){1|H<1>,1|N<2>,2|C<3>}	135.0510	0.000	1	134.2279	0.904	12	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(COO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(COO){1|H<1>,1|S<4>,2|C<3>}	133.6193	0.376	6	134.2279	0.904	12	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(COO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(COO){1|C<4>,1|H<1>,2|C<3>}	135.6870	0.068	2	134.2279	0.904	12	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(COO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(COO){1|H<1>,3|C<3>}	134.7050	0.000	1	134.2279	0.904	12	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(COO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(COO){2|C<3>,2|H<1>}	134.8610	0.000	1	134.2279	0.904	12	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(COO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(COO){1|H<1>,1|S<4>,2|C<3>}	133.0280	0.000	1	134.2279	0.904	12	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CSiC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CSiC){1|C<4>,1|H<1>,2|C<3>}	133.8920	0.000	1	133.8920	0.000	1	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CC[6a]C[5])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CC[6a]C[5]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	134.1280	0.000	1	134.1280	0.000	1	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCC){1|C<4>,1|H<1>,2|C<3>}	133.9980	0.000	1	133.9980	0.000	1	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCH){1|C<4>,1|H<1>,2|C<3>}	134.7962	0.728	8	134.9991	0.983	32	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|S<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCH){1|H<1>,1|S<4>,2|C<3>}	135.2627	2.560	3	134.9991	0.983	32	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCH){2|C<3>,2|H<1>}	134.4690	0.000	1	134.9991	0.983	32	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCH){2|C<3>,2|H<1>}	135.0673	0.819	20	134.9991	0.983	32	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCN){1|C<4>,1|H<1>,2|C<3>}	136.7760	0.000	1	134.5891	1.063	8	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|S<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCN){1|H<1>,1|S<4>,2|C<3>}	133.2930	0.000	1	134.5891	1.063	8	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCN){2|C<3>,2|H<1>}	134.4407	0.412	6	134.5891	1.063	8	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCO){1|C<4>,1|H<1>,2|C<3>}	134.6306	0.331	14	134.6983	0.144	29	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|S<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCO){1|H<1>,1|S<4>,2|C<3>}	134.0180	0.000	1	134.6983	0.144	29	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCO){2|C<3>,2|H<1>}	134.8868	0.282	13	134.6983	0.144	29	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCO){1|H<1>,3|C<3>}	133.8760	0.000	1	134.6983	0.144	29	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCS)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCS){1|C<4>,1|H<1>,2|C<3>}	134.0680	0.000	1	134.0680	0.000	1	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]C){2|C<3>,2|H<1>}	134.2910	0.000	1	134.2910	0.000	1	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]H){1|C<4>,1|H<1>,2|C<3>}	133.8480	0.008	2	133.8468	0.114	5	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]H){2|C<3>,2|H<1>}	134.1175	0.124	2	133.8468	0.114	5	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]H){1|H<1>,3|C<3>}	133.3030	0.000	1	133.8468	0.114	5	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]O){2|C<3>,2|H<1>}	134.9627	0.390	3	134.9627	0.152	3	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]H){1|C<4>,1|H<1>,2|C<3>}	133.8440	0.205	2	133.8265	0.015	4	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]H){2|C<3>,2|H<1>}	133.8090	0.028	2	133.8265	0.015	4	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]O){2|C<3>,2|H<1>}	134.3240	0.000	1	134.3240	0.000	1	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6,6]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6,6]H){1|C<4>,1|H<1>,2|C<3>}	134.2502	0.335	4	133.7282	0.915	9	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6,6]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|S<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6,6]H){1|H<1>,1|S<4>,2|C<3>}	132.5727	0.084	3	133.7282	0.915	9	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6,6]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6,6]H){2|C<3>,2|H<1>}	134.4175	0.961	2	133.7282	0.915	9	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]H){1|C<4>,1|H<1>,2|C<3>}	133.9910	0.000	1	133.1764	0.937	5	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|S<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]H){1|H<1>,1|S<4>,2|C<3>}	132.4810	0.094	3	133.1764	0.937	5	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]H){2|C<3>,2|H<1>}	134.4480	0.000	1	133.1764	0.937	5	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]O){2|C<3>,2|H<1>}	134.5150	0.000	1	134.5150	0.000	1	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]C){1|C<4>,1|H<1>,2|C<3>}	134.7160	0.873	2	134.2154	0.830	5	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]C){2|C<3>,2|H<1>}	134.3795	0.486	2	134.2154	0.830	5	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]C){1|H<1>,3|C<3>}	132.8860	0.000	1	134.2154	0.830	5	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]H){1|C<4>,1|H<1>,2|C<3>}	133.5100	0.093	2	133.5100	0.009	2	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]O){1|C<2>,1|H<1>,2|C<3>}	134.3230	0.154	2	134.6503	0.356	10	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]O){1|C<4>,1|H<1>,2|C<3>}	135.0673	0.120	4	134.6503	0.356	10	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|S<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]O){1|H<1>,1|S<4>,2|C<3>}	133.3750	0.000	1	134.6503	0.356	10	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]O){2|C<3>,2|H<1>}	134.7377	0.536	3	134.6503	0.356	10	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHN){1|C<4>,1|H<1>,2|C<3>}	134.6903	0.571	6	134.5993	0.167	49	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|S<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHN){1|H<1>,1|S<4>,2|C<3>}	134.2530	0.000	1	134.5993	0.167	49	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHN){2|C<3>,2|H<1>}	134.5945	0.389	42	134.5993	0.167	49	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHO){1|C<4>,1|H<1>,2|C<3>}	134.4399	0.335	9	134.4460	0.129	15	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHO){2|C<3>,2|H<1>}	134.7300	0.000	1	134.4460	0.129	15	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHO){2|C<3>,2|H<1>}	134.6525	0.149	2	134.4460	0.129	15	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHO){1|H<1>,3|C<3>}	134.2320	0.540	3	134.4460	0.129	15	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CNO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CNO){1|C<4>,1|H<1>,2|C<3>}	134.9300	0.355	4	134.8087	0.719	7	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CNO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CNO){2|C<3>,2|H<1>}	135.4405	0.155	2	134.8087	0.719	7	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CNO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CNO){1|H<1>,3|C<3>}	133.0600	0.000	1	134.8087	0.719	7	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN[5]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN[5]O){1|H<1>,3|C<3>}	134.3320	0.000	1	134.3320	0.000	1	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN[6]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN[6]O){1|C<4>,1|H<1>,2|C<3>}	134.8150	0.000	1	134.8150	0.000	1	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(COO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(COO){1|C<4>,1|H<1>,2|C<3>}	134.7248	0.417	4	134.4574	0.618	15	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(COO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(COO){2|C<3>,2|H<1>}	135.3940	0.000	1	134.4574	0.618	15	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(COO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|F<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(COO){2|C<3>,2|H<1>}	135.3850	0.000	1	134.4574	0.618	15	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(COO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(COO){2|C<3>,2|H<1>}	135.1207	0.423	3	134.4574	0.618	15	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(COO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(COO){1|H<1>,3|C<3>}	133.6368	0.280	6	134.4574	0.618	15	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Ir)(CCO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Ir<8>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Ir)(CCO){1|C<4>,1|H<1>,2|C<3>}	137.2577	0.132	3	137.2577	0.018	3	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Ir)(CC[5a]C[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Ir<6>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Ir)(CC[5a]C[6a]){1|H<1>,3|C<3>}	134.1820	0.000	1	134.1820	0.000	1	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CC[6a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CC[6a]C){1|C<4>,1|H<1>,2|C<3>}	134.7960	0.000	1	134.7960	0.000	1	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CC[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CC[6a]H){2|C<3>,2|H<1>}	134.3490	0.000	1	134.3490	0.000	1	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Pd)(CC[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Pd<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Pd)(CC[5a]H){1|H<1>,3|C<3>}	133.9050	0.000	1	133.9050	0.000	1	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Pd)(CHN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Pd)(CHN){1|C<4>,1|H<1>,2|C<3>}	135.8273	1.932	3	135.8273	3.732	3	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Pd)(COO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Pd<4>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Pd)(COO){2|C<3>,2|H<1>}	135.2320	0.000	1	135.2320	0.000	1	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Rh)(CCN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Rh<8>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Rh)(CCN){1|C<4>,1|H<1>,2|C<3>}	136.8580	0.000	1	136.8580	0.000	1	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CCO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CCO){2|C<3>,2|H<1>}	135.4350	0.000	1	135.4350	0.000	1	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6,6]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6,6]H){1|C<4>,1|H<1>,2|C<3>}	133.3850	0.000	1	133.3850	0.000	1	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]O){1|H<1>,1|O<2>,2|C<3>}	134.5140	0.000	1	134.5140	0.000	1	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,1|S<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCH){1|H<1>,1|S<4>,2|C<3>}	132.9250	0.000	1	132.9250	0.000	1	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]O){2|C<3>,2|H<1>}	133.6040	0.000	1	133.6040	0.000	1	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(COO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,1|S<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(COO){1|H<1>,1|S<4>,2|C<3>}	132.1600	0.147	2	132.1600	0.022	2	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCO){1|C<4>,1|H<1>,2|C<3>}	134.0385	0.659	4	134.0062	0.331	5	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCO){2|C<3>,2|H<1>}	133.8770	0.000	1	134.0062	0.331	5	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHN){1|C<4>,1|H<1>,2|C<3>}	134.9700	0.144	4	134.5274	0.416	7	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHN){2|C<3>,2|H<1>}	133.9373	0.550	3	134.5274	0.416	7	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(COO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(COO){1|C<4>,1|H<1>,2|C<3>}	133.9350	0.000	1	133.9350	0.000	1	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CC[6a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CC[6a]O){2|C<3>,2|H<1>}	134.7830	0.000	1	134.7830	0.000	1	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Se)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Se)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCO){1|C<4>,1|H<1>,2|C<3>}	133.7010	0.000	1	133.7010	0.000	1	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(CHN)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(CHN){1|H<1>,2|C<3>}	135.7600	0.000	1	135.7600	0.000	1	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CCH)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CCH){1|H<1>,4|C<3>}	134.9470	0.000	1	134.9470	0.000	1	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CC[6a]C[5])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CC[6a]C[5]){1|H<1>,4|C<3>}	135.1600	0.475	2	135.1600	0.226	2	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CCO)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CCO){1|H<1>,2|C<3>}	136.1420	0.000	1	136.1420	0.000	1	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CC[6a]H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CC[6a]H){1|H<1>,2|C<3>}	134.0310	0.000	1	134.0310	0.000	1	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CC[6a]O)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CC[6a]O){1|H<1>,2|C<3>}	136.6495	0.465	2	136.1480	0.862	3	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CC[6a]O)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CC[6a]O){1|H<1>,2|C<3>}	135.1450	0.000	1	136.1480	0.862	3	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(COO)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(COO){1|H<1>,2|C<3>}	136.8805	0.431	2	135.6477	1.449	10	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(COO)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(COO){1|H<1>,2|C<3>}	135.3395	1.137	8	135.6477	1.449	10	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(CC[6a]C)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(CC[6a]C){1|H<1>,2|C<3>}	136.3930	0.810	2	136.3930	0.657	2	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N)(CC[6a]O)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N)(CC[6a]O){1|H<1>,2|C<3>}	136.8913	0.737	4	136.8913	0.544	4	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CC[6a]O)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CC[6a]O){1|H<1>,4|C<3>}	135.1110	0.000	1	135.1110	0.000	1	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(COO)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){2|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(COO){1|H<1>,4|C<3>}	135.2970	0.058	2	135.2970	0.003	2	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CC[5]C)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CC[5]C){1|H<1>,2|C<3>}	134.4250	0.041	2	134.4250	0.002	2	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CC[6a]O)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){2|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CC[6a]O){1|H<1>,2|C<3>}	135.6880	0.000	1	135.6880	0.000	1	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CNO)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CNO){1|H<1>,2|C<3>}	129.9327	0.591	6	129.9327	0.350	6	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(COO)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(COO){1|H<1>,2|C<3>}	129.5670	0.000	1	129.5670	0.000	1	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(CCH)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(CCH){1|H<1>,4|C<3>}	129.9620	0.000	1	129.9620	0.000	1	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(CC[6a]O)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|O<2>,1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(CC[6a]O){1|H<1>,4|C<3>}	129.8700	0.000	1	129.8700	0.000	1	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CC[6a]O)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CC[6a]O){1|H<1>,2|C<3>}	129.6630	0.000	1	129.6630	0.000	1	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CCrO)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CCrO){1|H<1>,2|C<3>}	130.9200	0.000	1	130.9200	0.000	1	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CHN)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CHN){1|H<1>,2|C<3>}	130.0130	0.000	1	130.0130	0.000	1	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[5])(CC[6a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[5])(CC[6a]C){2|H<1>,4|C<3>}	130.9690	0.000	1	130.9690	0.000	1	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(CCH)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(CCH){1|H<1>,2|C<3>}	129.3130	0.000	1	129.3130	0.000	1	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(CC[6,6]H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(CC[6,6]H){1|H<1>,2|C<3>}	129.3990	0.000	1	129.3990	0.000	1	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(CHN)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(CHN){1|H<1>,2|C<3>}	130.3220	0.318	4	130.3220	0.101	4	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)(CC[6a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)(CC[6a]C){1|H<1>,2|C<3>}	129.4150	0.000	1	129.4150	0.000	1	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)(CC[6a]O)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)(CC[6a]O){1|H<1>,2|C<3>}	130.9140	0.000	1	130.9140	0.000	1	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]Pd)(CHN)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Pd<4>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]Pd)(CHN){1|H<1>,2|C<3>}	130.6966	0.417	5	130.6966	0.174	5	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCC)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCC){1|C<3>,1|N<2>,2|H<1>}	137.7340	0.000	1	137.7340	0.000	1	134.2086	2.089	455	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2){1|H<1>,2|F<1>,3|C<3>,3|C<4>}	135.0640	0.071	2	134.9472	0.062	4	132.1751	7.610	60	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	134.8305	0.354	2	134.9472	0.062	4	132.1751	7.610	60	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	134.6901	0.744	8	134.6903	0.453	20	132.1751	7.610	60	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2){1|C<4>,1|H<1>,6|C<3>}	133.9080	0.000	1	134.6903	0.453	20	132.1751	7.610	60	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	134.8860	0.192	2	134.6903	0.453	20	132.1751	7.610	60	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2){1|Br<1>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	134.4370	0.000	1	134.6903	0.453	20	132.1751	7.610	60	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	136.0970	0.000	1	134.6903	0.453	20	132.1751	7.610	60	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	134.8200	0.000	1	134.6903	0.453	20	132.1751	7.610	60	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	134.5300	0.981	2	134.6903	0.453	20	132.1751	7.610	60	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2){1|O<1>,2|H<1>,2|N<3>,3|C<3>}	134.5478	0.534	4	134.6903	0.453	20	132.1751	7.610	60	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]N[5]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,2|N<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]N[5]2){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	135.9080	0.000	1	135.9080	0.000	1	132.1751	7.610	60	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2){1|H<1>,2|F<1>,3|C<3>,3|C<4>}	134.0937	0.129	3	134.0937	0.017	3	132.1751	7.610	60	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[5]C[5]2)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){2|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[5]C[5]2){1|C<4>,1|H<1>,2|F<1>,6|C<3>}	137.2560	0.000	1	135.9050	3.650	2	132.1751	7.610	60	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[5]C[5]2)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){2|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[5]C[5]2){1|H<1>,1|O<1>,2|C<4>,5|C<3>}	134.5540	0.000	1	135.9050	3.650	2	132.1751	7.610	60	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(C[5]C[5]2)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(C[5]C[5]2){1|C<4>,1|N<2>,1|O<1>,1|S<2>,2|H<1>,3|C<3>}	128.9565	0.271	2	128.9565	0.073	2	132.1751	7.610	60	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(C[5]C[5]2)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(C[5]C[5]2){1|H<1>,2|C<4>,2|F<1>,3|C<3>}	129.5408	0.960	21	129.6071	0.777	28	132.1751	7.610	60	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(C[5]C[5]2)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(C[5]C[5]2){2|C<4>,3|C<3>,3|H<1>}	129.2793	0.090	3	129.6071	0.777	28	132.1751	7.610	60	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(C[5]C[5]2)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(C[5]C[5]2){1|H<1>,2|C<4>,2|F<1>,3|C<3>}	130.2013	0.482	4	129.6071	0.777	28	132.1751	7.610	60	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,1|N<3>,7|C<3>}	131.8170	0.823	2	131.8170	0.677	2	132.9827	4.865	67	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|Br<1>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	132.4850	0.000	1	132.4850	0.000	1	132.9827	4.865	67	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]H){1|C<2>,3|H<1>,4|C<3>}	134.9450	0.672	4	134.9450	0.451	4	132.9827	4.865	67	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]N[5a]C[5])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<4>,1|F<1>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]N[5a]C[5]){1|C<4>,1|N<3>,2|H<1>,7|C<3>}	133.3667	0.286	4	133.3667	0.082	4	132.9827	4.865	67	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]C[6a]N[5a]){1|S<2>,2|H<1>,7|C<3>}	134.3050	0.000	1	134.3050	0.000	1	132.9827	4.865	67	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]N[5a]C){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	134.6093	0.532	4	134.5666	0.221	5	132.9827	4.865	67	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]N[5a]C){1|N<3>,3|H<1>,4|C<3>}	134.3960	0.000	1	134.5666	0.221	5	132.9827	4.865	67	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]N[5a]C[6])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]N[5a]C[6]){1|H<1>,2|N<3>,7|C<3>}	133.9110	0.000	1	133.9110	0.000	1	132.9827	4.865	67	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	135.3830	0.000	1	135.3830	0.000	1	132.9827	4.865	67	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]N[5a,6])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]N[5a,6])(C[5a]N[5a]H){1|B<4>,2|H<1>,5|C<3>}	135.1630	0.000	1	135.1630	0.000	1	132.9827	4.865	67	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(C[5a]N[5a]H){1|N<3>,2|H<1>,5|C<3>}	133.8320	0.000	1	133.8320	0.000	1	132.9827	4.865	67	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|N<3>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,1|S<4>,7|C<3>}	132.6670	0.000	1	132.6670	0.000	1	132.9827	4.865	67	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]C){1|C<4>,3|H<1>,4|C<3>}	133.7795	0.132	2	133.7795	0.017	2	132.9827	4.865	67	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	134.9590	0.000	1	134.5854	0.216	9	132.9827	4.865	67	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	134.8400	0.000	1	134.5854	0.216	9	132.9827	4.865	67	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]H){1|Si<4>,1|C<4>,1|H<1>,2|N<2>,3|C<3>}	134.2610	0.000	1	134.5854	0.216	9	132.9827	4.865	67	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]H){2|C<4>,2|H<1>,4|C<3>}	134.9025	0.151	2	134.5854	0.216	9	132.9827	4.865	67	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]H){1|O<2>,2|H<1>,4|C<3>}	134.5150	0.000	1	134.5854	0.216	9	132.9827	4.865	67	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|N<3>,1|S<4>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]H){1|H<1>,1|S<4>,6|C<3>}	133.5760	0.000	1	134.5854	0.216	9	132.9827	4.865	67	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]H){1|C<2>,3|H<1>,4|C<3>}	134.9400	0.000	1	134.5854	0.216	9	132.9827	4.865	67	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]H){2|H<1>,6|C<3>}	134.3730	0.000	1	134.5854	0.216	9	132.9827	4.865	67	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]N){1|H<1>,3|C<4>,4|C<3>}	134.3100	0.625	3	134.3100	0.391	3	132.9827	4.865	67	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])(C[5a]N[5a]Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|Cl<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])(C[5a]N[5a]Cl){1|Cl<1>,1|H<1>,1|N<2>,4|C<3>}	131.3720	0.000	1	131.3720	0.000	1	132.9827	4.865	67	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])(C[5a]N[5a]H){1|C<2>,1|N<2>,2|H<1>,3|C<3>}	134.6365	2.036	2	134.6365	4.144	2	132.9827	4.865	67	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(C[5a]N[5a]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(C[5a]N[5a]N){1|C<4>,2|H<1>,4|C<3>}	134.3140	0.000	1	134.3140	0.000	1	132.9827	4.865	67	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[5a]C[5a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[5a]C[5a]2){1|O<2>,2|H<1>,7|C<3>}	133.5076	0.484	7	133.5076	0.235	7	132.9827	4.865	67	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C[5a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C[5a])(C[5a]N[5a]H){3|H<1>,5|C<3>}	134.5175	0.281	2	134.5175	0.079	2	132.9827	4.865	67	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(C[5a]N[5a]H){3|H<1>,4|C<3>}	136.0010	0.000	1	136.0010	0.000	1	132.9827	4.865	67	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])(C[5a]C[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])(C[5a]C[5a]S[5a]){1|C<4>,1|H<1>,1|S<2>,5|C<3>}	134.9400	0.000	1	134.9400	0.000	1	132.9827	4.865	67	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]S[5a]){1|H<1>,2|S<2>,6|C<3>}	129.0228	0.208	4	129.0228	0.043	4	132.9827	4.865	67	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]S[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]S[5a]C){1|H<1>,1|N<3>,5|C<3>}	128.9830	0.000	1	128.9830	0.000	1	132.9827	4.865	67	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a]){1|H<1>,1|N<2>,1|O<2>,1|S<2>,4|C<3>}	128.8270	0.000	1	128.8270	0.000	1	132.9827	4.865	67	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]S[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]S[5a]C){1|H<1>,1|S<2>,4|C<3>}	129.2860	0.047	2	129.2860	0.002	2	132.9827	4.865	67	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]S[5a]H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]S[5a]H){1|H<1>,1|S<2>,4|C<3>}	130.3137	0.362	3	130.3137	0.131	3	132.9827	4.865	67	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(C[5a]S[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(C[5a]S[5a]C){1|H<1>,1|N<2>,4|C<3>}	129.6560	0.933	2	129.6560	0.871	2	132.9827	4.865	67	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])2	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])2{1|C<4>,1|H<1>,1|S<2>,5|C<3>}	129.3270	0.190	2	129.3270	0.036	2	132.9827	4.865	67	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S[5a])(C[5a]S[5a]H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|S<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S[5a])(C[5a]S[5a]H){1|H<1>,4|C<3>}	129.7580	0.000	1	129.7580	0.000	1	132.9827	4.865	67	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6]C[6]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6]C[6]2){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	133.4420	1.127	2	133.7250	0.875	3	134.0917	1.632	7	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6]C[6]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6]C[6]2){1|O<1>,3|H<1>,4|C<3>}	134.2910	0.000	1	133.7250	0.875	3	134.0917	1.632	7	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	134.6110	0.672	2	134.6110	0.451	2	134.0917	1.632	7	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(C[6]C[6]2)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(C[6]C[6]2){2|C<4>,3|C<3>,3|H<1>}	135.9450	0.000	1	135.9450	0.000	1	134.0917	1.632	7	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]Pt)(C[6]C[6]N[6])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|Pt<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]Pt)(C[6]C[6]N[6]){2|H<1>,4|C<3>}	132.3000	0.000	1	132.3000	0.000	1	134.0917	1.632	7	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6,6a]H)(H){1|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){4|H<1>,6|C<3>}	132.8700	0.000	1	132.8700	0.000	1	133.7334	4.263	135	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|N<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	133.7460	0.000	1	132.7127	0.801	3	133.7334	4.263	135	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	132.1960	0.010	2	132.7127	0.801	3	133.7334	4.263	135	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){4|C<3>,4|H<1>}	133.5520	0.000	1	132.9070	0.406	3	133.7334	4.263	135	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){4|C<3>,4|H<1>}	132.5845	0.433	2	132.9070	0.406	3	133.7334	4.263	135	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|O<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	134.9380	0.000	1	134.9380	0.000	1	133.7334	4.263	135	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|S<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(C[6a]C[6a]2){3|H<1>,4|C<3>}	128.2310	0.973	6	128.2310	0.947	6	133.7334	4.263	135	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|Br<1>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	133.2730	0.000	1	133.2730	0.000	1	133.7334	4.263	135	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|Br<1>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|O<2>,2|H<1>,5|C<3>}	133.6490	0.000	1	133.6490	0.000	1	133.7334	4.263	135	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2){4|C<3>,4|H<1>}	133.7245	0.202	2	133.7245	0.041	2	133.7334	4.263	135	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|Cl<1>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){4|H<1>,6|C<3>}	134.2200	0.000	1	134.2200	0.000	1	133.7334	4.263	135	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|F<1>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){4|C<3>,4|H<1>}	133.2876	0.317	5	133.2876	0.100	5	133.7334	4.263	135	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,3|H<1>,6|C<3>}	133.8360	0.000	1	133.8602	0.754	17	133.7334	4.263	135	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,3|H<1>,6|C<3>}	133.9710	0.044	2	133.8602	0.754	17	133.7334	4.263	135	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,3|H<1>,6|C<3>}	134.1730	0.000	1	133.8602	0.754	17	133.7334	4.263	135	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	134.2980	0.000	1	133.8602	0.754	17	133.7334	4.263	135	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|S<4>,3|H<1>,6|C<3>}	132.5960	0.000	1	133.8602	0.754	17	133.7334	4.263	135	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	134.2088	0.687	8	133.8602	0.754	17	133.7334	4.263	135	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){4|H<1>,6|C<3>}	133.0360	1.386	3	133.8602	0.754	17	133.7334	4.263	135	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a]){1|N<2>,1|O<2>,2|H<1>,5|C<3>}	134.4760	0.000	1	134.4760	0.000	1	133.7334	4.263	135	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	133.3310	0.000	1	133.3888	1.230	22	133.7334	4.263	135	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|O<2>,1|S<4>,2|H<1>,4|C<3>}	132.0600	0.000	1	133.3888	1.230	22	133.7334	4.263	135	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|S<4>,3|H<1>,4|C<3>}	132.3915	0.330	2	133.3888	1.230	22	133.7334	4.263	135	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	133.2790	0.857	5	133.3888	1.230	22	133.7334	4.263	135	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	135.0623	0.360	3	133.3888	1.230	22	133.7334	4.263	135	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){4|C<3>,4|H<1>}	133.7950	1.065	4	133.3888	1.230	22	133.7334	4.263	135	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){4|C<3>,4|H<1>}	134.1530	0.000	1	133.3888	1.230	22	133.7334	4.263	135	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|S<4>,3|H<1>,4|C<3>}	132.1957	0.734	3	133.3888	1.230	22	133.7334	4.263	135	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	133.0530	0.000	1	133.3888	1.230	22	133.7334	4.263	135	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){4|C<3>,4|H<1>}	133.8250	0.000	1	133.3888	1.230	22	133.7334	4.263	135	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(C[6a]C[6a]2){1|N<3>,1|O<2>,2|H<1>,7|C<3>}	133.9510	0.000	1	132.5422	0.891	4	133.7334	4.263	135	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(C[6a]C[6a]2){1|Cl<1>,1|N<2>,2|H<1>,6|C<3>}	132.2030	0.000	1	132.5422	0.891	4	133.7334	4.263	135	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(C[6a]C[6a]2){1|N<2>,1|O<2>,2|H<1>,6|C<3>}	132.0010	0.000	1	132.5422	0.891	4	133.7334	4.263	135	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(C[6a]C[6a]2){1|N<2>,3|H<1>,6|C<3>}	132.0140	0.000	1	132.5422	0.891	4	133.7334	4.263	135	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|B<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|B<3>,3|H<1>,4|C<3>}	132.6030	0.000	1	134.5917	1.134	13	133.7334	4.263	135	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	135.1015	0.759	6	134.5917	1.134	13	133.7334	4.263	135	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|N<3>,3|H<1>,4|C<3>}	134.4655	0.042	2	134.5917	1.134	13	133.7334	4.263	135	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){4|C<3>,4|H<1>}	135.0217	0.305	3	134.5917	1.134	13	133.7334	4.263	135	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,5|C<3>}	132.4840	0.000	1	134.5917	1.134	13	133.7334	4.263	135	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	134.2510	0.000	1	133.2082	0.819	8	133.7334	4.263	135	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	134.0670	0.000	1	133.2082	0.819	8	133.7334	4.263	135	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	133.5390	0.006	2	133.2082	0.819	8	133.7334	4.263	135	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	132.6450	0.000	1	133.2082	0.819	8	133.7334	4.263	135	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2){1|S<4>,3|H<1>,4|C<3>}	131.9595	0.088	2	133.2082	0.819	8	133.7334	4.263	135	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2){3|H<1>,5|C<3>}	133.7060	0.000	1	133.2082	0.819	8	133.7334	4.263	135	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|P<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	133.1580	0.000	1	133.1580	0.000	1	133.7334	4.263	135	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	132.5570	0.000	1	133.6090	2.213	2	133.7334	4.263	135	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){4|C<3>,4|H<1>}	134.6610	0.000	1	133.6090	2.213	2	133.7334	4.263	135	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,1|P<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	132.9010	0.000	1	132.9010	0.000	1	133.7334	4.263	135	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	134.9640	0.232	3	134.9640	0.054	3	133.7334	4.263	135	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]2){3|H<1>,4|C<3>}	135.6380	0.000	1	135.6380	0.000	1	133.7334	4.263	135	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	135.4417	0.270	3	135.4417	0.073	3	133.7334	4.263	135	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]2){1|H<1>,1|O<2>,5|C<3>}	134.8940	0.000	1	135.6310	0.411	3	133.7334	4.263	135	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]2){1|O<2>,2|H<1>,4|C<3>}	135.9995	0.087	2	135.6310	0.411	3	133.7334	4.263	135	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N)(C[6a]C[6a]2){3|H<1>,4|C<3>}	134.3690	0.288	2	134.3690	0.083	2	133.7334	4.263	135	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]P)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|P<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]P)(C[6a]C[6a]2){3|H<1>,4|C<3>}	135.1870	0.000	1	134.6464	0.200	8	133.7334	4.263	135	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]P)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]P)(C[6a]C[6a]2){3|H<1>,4|C<3>}	134.6430	0.287	2	134.6464	0.200	8	133.7334	4.263	135	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]P)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]P)(C[6a]C[6a]2){3|H<1>,4|C<3>}	134.3297	0.496	3	134.6464	0.200	8	133.7334	4.263	135	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]P)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){2|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]P)(C[6a]C[6a]2){3|H<1>,4|C<3>}	134.8545	0.387	2	134.6464	0.200	8	133.7334	4.263	135	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(C[6a]C[6a]2){3|H<1>,4|C<3>}	135.4910	0.000	1	135.4910	0.000	1	133.7334	4.263	135	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,1|S<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]S)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	134.8005	0.028	2	134.8005	0.001	2	133.7334	4.263	135	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	129.9630	0.000	1	129.1480	0.315	4	133.7334	4.263	135	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|F<1>,1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	128.9170	0.222	2	129.1480	0.315	4	133.7334	4.263	135	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2){1|N<3>,2|H<1>,6|C<3>}	128.7950	0.000	1	129.1480	0.315	4	133.7334	4.263	135	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(C[6a]C[6a]2){3|H<1>,4|C<3>}	130.7190	0.000	1	130.7190	0.000	1	133.7334	4.263	135	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|O<2>,1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O)(C[6a]C[6a]2){3|H<1>,4|C<3>}	129.6880	0.000	1	129.6880	0.000	1	133.7334	4.263	135	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|N<2>,3|H<1>,5|C<3>}	137.5440	0.000	1	137.2690	0.151	2	133.7334	4.263	135	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|N<2>,3|H<1>,5|C<3>}	136.9940	0.000	1	137.2690	0.151	2	133.7334	4.263	135	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	138.1580	0.000	1	138.1580	0.000	1	133.7334	4.263	135	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|N<2>,3|H<1>,4|C<3>}	136.8660	0.000	1	136.7025	0.282	10	133.7334	4.263	135	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|N<2>,3|C<3>,4|H<1>}	136.6843	0.560	9	136.7025	0.282	10	133.7334	4.263	135	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(NC[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|F<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(NC[6a]H){1|N<2>,2|H<1>,3|C<3>}	135.7090	0.000	1	135.7090	0.000	1	134.5249	3.651	52	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(NC[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|Ru<6>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(NC[6a]H){1|Ru<6>,1|H<1>,1|N<3>,3|C<3>}	135.3880	0.000	1	134.3570	2.126	2	134.5249	3.651	52	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(NC[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(NC[6a]H){1|N<3>,2|H<1>,3|C<3>}	133.3260	0.000	1	134.3570	2.126	2	134.5249	3.651	52	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(NC[6a]Pd)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|Pd<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(NC[6a]Pd){1|Pd<4>,1|H<1>,1|N<3>,3|C<3>}	134.1613	0.180	3	134.1613	0.032	3	134.5249	3.651	52	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NCC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NCC){2|H<1>,4|C<3>}	134.5790	0.000	1	134.5790	0.000	1	134.5249	3.651	52	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NCH){1|H<1>,1|S<4>,4|C<3>}	132.0420	0.008	2	132.0420	0.000	2	134.5249	3.651	52	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(NC[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(NC[6a]H){2|C<3>,2|H<1>}	133.3950	0.000	1	133.3950	0.000	1	134.5249	3.651	52	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(NHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(NHH){2|C<3>,2|H<1>}	132.9537	0.577	3	132.9537	0.333	3	134.5249	3.651	52	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(NC[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(NC[6a]H){1|N<2>,2|H<1>,3|C<3>}	135.1560	0.000	1	134.9020	0.129	2	134.5249	3.651	52	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(NC[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(NC[6a]H){1|N<3>,2|H<1>,3|C<3>}	134.6480	0.000	1	134.9020	0.129	2	134.5249	3.651	52	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(NCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(NCH){1|C<4>,1|H<1>,2|C<3>}	134.2970	0.000	1	134.2970	0.000	1	134.5249	3.651	52	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(NOO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,1|S<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(NOO){1|H<1>,1|S<4>,2|C<3>}	134.7650	0.000	1	134.7650	0.000	1	134.5249	3.651	52	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(NSS)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(NSS){1|H<1>,3|C<3>}	132.5680	0.000	1	132.5680	0.000	1	134.5249	3.651	52	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(NC[6a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(NC[6a]C){1|C<4>,1|H<1>,2|C<3>}	133.9430	0.000	1	134.1085	0.055	2	134.5249	3.651	52	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(NC[6a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(NC[6a]C){1|C<4>,1|H<1>,2|C<3>}	134.2740	0.000	1	134.1085	0.055	2	134.5249	3.651	52	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(NCuN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(NCuN){1|C<4>,1|H<1>,2|C<3>}	133.8850	0.000	1	133.8850	0.000	1	134.5249	3.651	52	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(NHS)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,1|S<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(NHS){2|C<3>,2|H<1>}	135.2070	0.000	2	135.2070	0.000	2	134.5249	3.651	52	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(NCC)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(NCC){1|H<1>,4|C<3>}	135.2448	0.622	4	135.2448	0.386	4	134.5249	3.651	52	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(NCH)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(NCH){1|H<1>,2|C<3>}	137.0400	0.561	2	137.0400	0.315	2	134.5249	3.651	52	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(NHH)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(NHH){1|H<1>,2|C<3>}	133.8880	0.000	1	133.8880	0.000	1	134.5249	3.651	52	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(NCS)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(NCS){1|H<1>,2|C<3>}	135.3910	0.000	1	135.3910	0.000	1	134.5249	3.651	52	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(NCC)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(NCC){1|H<1>,4|C<3>}	136.3780	0.000	1	136.3780	0.000	1	134.5249	3.651	52	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(NCS)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(NCS){1|H<1>,2|C<3>}	136.3098	0.786	4	136.2820	0.373	6	134.5249	3.651	52	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(NCS)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(NCS){1|H<1>,2|C<3>}	136.2265	0.070	2	136.2820	0.373	6	134.5249	3.651	52	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(NC[6a]H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(NC[6a]H){1|H<1>,2|C<3>}	136.5565	0.095	2	136.5565	0.009	2	134.5249	3.651	52	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(NHH)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(NHH){1|H<1>,2|C<3>}	135.1680	0.000	1	135.1680	0.000	1	134.5249	3.651	52	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(NHS)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(NHS){1|H<1>,2|C<3>}	136.5362	0.764	4	136.5362	0.584	4	134.5249	3.651	52	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(NCC)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(NCC){1|H<1>,4|C<3>}	135.3470	0.000	1	135.3470	0.000	1	134.5249	3.651	52	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(NCH)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(NCH){1|H<1>,1|S<2>,3|C<3>}	129.0940	0.000	1	129.0940	0.000	1	134.5249	3.651	52	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(NOO)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(NOO){1|H<1>,4|C<3>}	132.0150	0.000	1	132.0150	0.000	1	134.5249	3.651	52	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(NHH)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|S<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(NHH){1|C<3>,1|H<1>,1|N<2>}	130.6720	0.000	1	130.9525	0.157	2	134.5249	3.651	52	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(NHH)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(NHH){1|C<3>,1|H<1>,1|N<2>}	131.2330	0.000	1	130.9525	0.157	2	134.5249	3.651	52	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(NHS)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|S<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(NHS){1|C<3>,1|H<1>,1|N<2>}	130.2090	0.000	1	130.2090	0.000	1	134.5249	3.651	52	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(NSS)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(NSS){1|C<3>,1|H<1>,1|N<2>}	132.1130	0.000	1	132.1130	0.000	1	134.5249	3.651	52	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N[5]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(N[5]C[5]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	134.2320	0.000	1	134.2320	0.000	1	134.2320	0.000	1	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N[5a,6]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[5a,6]C[5a,6]B[6])	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[5a])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[5a,6]C[5a,6]B[6]){2|F<1>,2|H<1>,2|N<3>,5|C<3>}	132.0910	0.000	1	132.0910	0.000	1	132.0910	0.000	1	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]N[5a])(N[5a]C[5a]Cu)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|Cu<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]N[5a])(N[5a]C[5a]Cu){1|H<1>,6|C<3>}	133.0527	0.235	3	133.0527	0.055	3	133.0527	0.055	3	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N[6]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(N[6]C[6]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(N[6]C[6]2){1|S<4>,2|C<3>,2|C<4>,5|H<1>}	133.0800	0.000	1	133.9690	0.804	3	133.9690	0.804	3	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N[6]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(N[6]C[6]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(N[6]C[6]2){2|C<3>,3|C<4>,5|H<1>}	134.4135	0.650	2	133.9690	0.804	3	133.9690	0.804	3	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:P[5]-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]P[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]P[5])(P[5]C[5]2)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]P[5])(C[6a]C[6a]H){1|C<3>,1|P<4>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]P[5])(P[5]C[5]2){1|O<1>,2|C<3>,3|H<1>,6|C<4>}	130.0610	0.000	1	130.0610	0.000	1	130.0610	0.000	1	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(SC[6a]O)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|O<2>,1|S<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(SC[6a]O){1|H<1>,4|C<3>}	134.9760	0.000	1	134.9760	0.000	1	135.8733	0.142	168	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SCO)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|O<2>,1|S<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SCO){1|H<1>,2|C<3>}	135.7660	0.000	1	135.7660	0.000	1	135.8733	0.142	168	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SCO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SCO){2|C<3>,2|H<1>}	135.7770	0.455	2	135.5013	0.332	3	135.8733	0.142	168	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SCO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SCO){1|C<4>,1|H<1>,2|C<3>}	134.9500	0.000	1	135.5013	0.332	3	135.8733	0.142	168	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SC[6a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,1|S<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SC[6a]O){2|C<3>,2|H<1>}	135.9110	0.000	1	135.9110	0.000	1	135.8733	0.142	168	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(SCO)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,1|S<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(SCO){1|H<1>,4|C<3>}	135.6380	0.805	2	135.6380	0.648	2	135.8733	0.142	168	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SCO)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,1|S<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SCO){1|H<1>,2|C<3>}	135.9627	0.232	3	135.9627	0.054	3	135.8733	0.142	168	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6a]O)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,1|S<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6a]O){1|H<1>,2|C<3>}	136.0430	0.000	1	136.0430	0.000	1	135.8733	0.142	168	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(SCO)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(SCO){1|H<1>,4|C<3>}	135.6454	0.376	5	135.6643	0.067	12	135.8733	0.142	168	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(SCO)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(SCO){1|H<1>,4|C<3>}	135.6777	0.169	7	135.6643	0.067	12	135.8733	0.142	168	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(SC[6a]O)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(SC[6a]O){1|H<1>,4|C<3>}	136.1570	0.000	1	135.8990	0.120	4	135.8733	0.142	168	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(SC[6a]O)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(SC[6a]O){1|H<1>,4|C<3>}	135.8130	0.368	3	135.8990	0.120	4	135.8733	0.142	168	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SCO)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SCO){1|H<1>,2|C<3>}	135.8647	0.176	7	135.8540	0.027	8	135.8733	0.142	168	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SCO)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SCO){1|H<1>,2|C<3>}	135.7790	0.000	1	135.8540	0.027	8	135.8733	0.142	168	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[5]O)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[5]O){1|H<1>,2|C<3>}	135.6320	0.000	1	135.6320	0.000	1	135.8733	0.142	168	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6]O)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6]O){1|H<1>,2|C<3>}	135.6390	0.614	2	135.6317	0.189	3	135.8733	0.142	168	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6]O)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6]O){1|H<1>,2|C<3>}	135.6170	0.000	1	135.6317	0.189	3	135.8733	0.142	168	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6a]O)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6a]O){1|H<1>,2|C<3>}	135.8140	0.630	5	135.7364	0.297	7	135.8733	0.142	168	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6a]O)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6a]O){1|H<1>,2|C<3>}	135.5425	0.298	2	135.7364	0.297	7	135.8733	0.142	168	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(SCO)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(SCO){1|H<1>,4|C<3>}	135.8932	0.128	4	135.9887	0.071	6	135.8733	0.142	168	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(SCO)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(SCO){1|H<1>,4|C<3>}	136.1795	0.443	2	135.9887	0.071	6	135.8733	0.142	168	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SCO)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SCO){1|H<1>,2|C<3>}	136.2406	0.200	7	136.2406	0.040	7	135.8733	0.142	168	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6a]O)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|O<2>,1|S<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6a]O){1|H<1>,2|C<3>}	136.8260	0.000	1	136.2050	0.080	15	135.8733	0.142	168	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6a]O)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6a]O){1|H<1>,2|C<3>}	136.2238	0.243	6	136.2050	0.080	15	135.8733	0.142	168	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6a]O)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6a]O){1|H<1>,2|C<3>}	136.1132	0.228	8	136.2050	0.080	15	135.8733	0.142	168	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[6])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(SCO)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[6])(H){1|O<2>,1|S<3>,2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(SCO){1|H<1>,4|C<3>}	135.8777	0.322	4	135.8777	0.104	4	135.8733	0.142	168	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[6])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(SC[6a]O)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[6])(H){1|O<2>,1|S<3>,2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(SC[6a]O){1|H<1>,4|C<3>}	135.7540	0.727	2	135.7540	0.528	2	135.8733	0.142	168	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[6])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6a]O)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[6])(H){1|O<2>,1|S<3>,2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6a]O){1|H<1>,2|C<3>}	136.1500	0.211	8	136.1500	0.045	8	135.8733	0.142	168	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(SCO)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(SCO){1|H<1>,4|C<3>}	135.6658	0.396	5	135.5984	0.067	12	135.8733	0.142	168	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(SCO)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(SCO){1|H<1>,4|C<3>}	135.5503	0.109	7	135.5984	0.067	12	135.8733	0.142	168	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(SC[6a]O)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(SC[6a]O){1|H<1>,4|C<3>}	135.8830	0.000	1	135.6687	0.049	3	135.8733	0.142	168	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(SC[6a]O)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(SC[6a]O){1|H<1>,4|C<3>}	135.5615	0.169	2	135.6687	0.049	3	135.8733	0.142	168	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SCO)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SCO){1|H<1>,2|C<3>}	135.8732	0.202	5	135.8732	0.041	5	135.8733	0.142	168	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[5]O)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[5]O){1|H<1>,2|C<3>}	135.6640	0.000	1	135.6640	0.000	1	135.8733	0.142	168	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6]O)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6]O){1|H<1>,2|C<3>}	135.7560	0.717	2	135.8120	0.266	3	135.8733	0.142	168	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6]O)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6]O){1|H<1>,2|C<3>}	135.9240	0.000	1	135.8120	0.266	3	135.8733	0.142	168	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6a]O)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6a]O){1|H<1>,2|C<3>}	136.0290	0.000	1	135.9530	0.012	2	135.8733	0.142	168	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6a]O)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6a]O){1|H<1>,2|C<3>}	135.8770	0.000	1	135.9530	0.012	2	135.8733	0.142	168	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(SCO)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|F<1>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(SCO){1|H<1>,4|C<3>}	135.5874	0.257	10	135.5874	0.066	10	135.8733	0.142	168	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(SC[6a]O)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<4>,1|F<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(SC[6a]O){1|H<1>,4|C<3>}	135.6070	0.000	1	135.6480	0.003	2	135.8733	0.142	168	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(SC[6a]O)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|F<1>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(SC[6a]O){1|H<1>,4|C<3>}	135.6890	0.000	1	135.6480	0.003	2	135.8733	0.142	168	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SCO)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|F<1>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SCO){1|H<1>,2|C<3>}	135.9360	0.239	3	135.9360	0.057	3	135.8733	0.142	168	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6a]O)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|F<1>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6a]O){1|H<1>,2|C<3>}	135.9530	0.223	3	135.9530	0.050	3	135.8733	0.142	168	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(SCO)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(SCO){1|H<1>,4|C<3>}	136.3650	0.000	1	136.3650	0.000	1	135.8733	0.142	168	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6a]O)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6a]O){1|H<1>,2|C<3>}	136.1450	0.049	2	136.1450	0.002	2	135.8733	0.142	168	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(SCO)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<4>,1|I<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(SCO){1|H<1>,4|C<3>}	135.6760	0.288	7	135.6628	0.074	13	135.8733	0.142	168	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(SCO)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|H<1>,1|I<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(SCO){1|H<1>,4|C<3>}	135.6473	0.277	6	135.6628	0.074	13	135.8733	0.142	168	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(SC[6a]O)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<4>,1|I<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(SC[6a]O){1|H<1>,4|C<3>}	135.8090	0.000	1	135.8107	0.000	3	135.8733	0.142	168	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(SC[6a]O)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|H<1>,1|I<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(SC[6a]O){1|H<1>,4|C<3>}	135.8115	0.029	2	135.8107	0.000	3	135.8733	0.142	168	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SCO)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|I<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SCO){1|H<1>,2|C<3>}	135.9842	0.241	5	136.2411	0.181	8	135.8733	0.142	168	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SCO)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|I<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SCO){1|H<1>,2|C<3>}	136.6693	0.278	3	136.2411	0.181	8	135.8733	0.142	168	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6]O)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|I<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6]O){1|H<1>,2|C<3>}	136.0880	0.279	2	136.0880	0.078	2	135.8733	0.142	168	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6a]O)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|I<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6a]O){1|H<1>,2|C<3>}	136.5687	0.120	3	136.1938	0.185	6	135.8733	0.142	168	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6a]O)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|I<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6a]O){1|H<1>,2|C<3>}	135.8190	0.167	3	136.1938	0.185	6	135.8733	0.142	168	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6])(C[5a]N[5a]H){1|N<3>,2|H<1>,5|C<3>}	134.0490	0.000	1	134.0490	0.000	1	134.4927	6.800	6	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6])(C[5a]N[5a]H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	135.8347	0.885	4	135.8347	0.783	4	134.4927	6.800	6	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]2)(C[5a]S[5a]H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]2)(C[5a]S[5a]H){1|H<1>,2|N<3>,4|C<3>}	129.5680	0.000	1	129.5680	0.000	1	134.4927	6.800	6	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|N<3>,4|C<3>}	134.7850	0.000	1	134.7850	0.000	1	134.2609	4.142	39	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	133.7150	0.000	1	133.1965	0.538	2	134.2609	4.142	39	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|H<1>,1|N<3>,1|O<2>,1|S<4>,4|C<3>}	132.6780	0.000	1	133.1965	0.538	2	134.2609	4.142	39	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|N<3>,2|H<1>,4|C<3>}	134.7690	0.000	1	134.7690	0.000	1	134.2609	4.142	39	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[5,6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[5,6a])(C[5a]N[5a]H){1|C<4>,2|H<1>,5|C<3>}	133.8350	0.000	1	133.8350	0.000	1	134.2609	4.142	39	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5a]N[5a]C){2|H<1>,2|O<2>,4|C<3>}	134.5930	0.000	1	134.5930	0.000	1	134.2609	4.142	39	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[5a]N[5a]H){2|H<1>,5|C<3>}	134.8320	0.000	1	134.8320	0.000	1	134.2609	4.142	39	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]C){1|C<2>,2|H<1>,4|C<3>}	134.7090	0.000	1	134.7090	0.000	1	134.2609	4.142	39	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H){1|C<2>,1|C<4>,1|H<1>,1|N<2>,3|C<3>}	135.2405	0.226	2	135.0077	0.213	23	134.2609	4.142	39	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	134.7890	0.000	1	135.0077	0.213	23	134.2609	4.142	39	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H){1|C<4>,1|H<1>,5|C<3>}	135.0160	0.000	1	135.0077	0.213	23	134.2609	4.142	39	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H){1|C<4>,2|H<1>,4|C<3>}	134.6020	0.000	1	135.0077	0.213	23	134.2609	4.142	39	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,1|S<4>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H){1|H<1>,1|N<3>,1|O<1>,1|S<4>,3|C<3>}	133.9080	0.000	1	135.0077	0.213	23	134.2609	4.142	39	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	134.9090	0.000	1	135.0077	0.213	23	134.2609	4.142	39	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H){1|C<2>,2|H<1>,4|C<3>}	135.1231	0.440	14	135.0077	0.213	23	134.2609	4.142	39	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	135.2920	0.000	1	135.0077	0.213	23	134.2609	4.142	39	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,1|S<4>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H){1|N<2>,1|S<4>,3|C<3>,3|H<1>}	134.4560	0.000	1	135.0077	0.213	23	134.2609	4.142	39	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]O[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]O[6a])(C[5a]N[5a]H){2|H<1>,4|C<3>}	134.3840	0.000	1	134.3840	0.000	1	134.2609	4.142	39	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	133.2200	0.000	1	133.2200	0.000	1	134.2609	4.142	39	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[5a]O[5a]N)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[5a]O[5a]N){1|H<1>,5|C<3>}	138.3600	0.000	1	138.3600	0.000	1	134.2609	4.142	39	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]H){1|H<1>,1|S<2>,5|C<3>}	128.9880	0.000	1	128.9880	0.000	1	134.2609	4.142	39	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]S[5a]){1|H<1>,1|O<2>,7|C<3>}	128.7770	0.396	2	128.7770	0.157	2	134.2609	4.142	39	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5a]S[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5a]S[5a]C){1|C<2>,1|H<1>,5|C<3>}	128.9760	0.000	1	128.9760	0.000	1	134.2609	4.142	39	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H){1|N<2>,1|S<4>,2|H<1>,3|C<3>}	135.6010	0.000	1	135.6010	0.000	1	134.2609	4.142	39	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H){3|H<1>,5|C<3>}	132.1720	0.000	1	132.1720	0.000	1	133.7490	4.974	2	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5a]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5a]N){2|H<1>,4|C<3>}	135.3260	0.000	1	135.3260	0.000	1	133.7490	4.974	2	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]N[5a,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]C[5a,5a]N[5a])(CCH)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]N[5a,5a]C)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]C[5a,5a]N[5a])(CCH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	130.5600	0.000	1	130.5600	0.000	1	130.5600	0.000	1	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(CHN)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(CHN){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	133.2603	0.195	3	133.2603	0.038	3	133.2603	0.038	3	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[5a])(C[6a]C[6a]H){1|B<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a]){1|C<2>,1|C<4>,1|F<1>,1|N<2>,1|N<3>,2|H<1>,4|C<3>}	131.9755	0.419	2	132.0702	0.662	10	132.2950	0.819	12	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[5a])(C[6a]C[6a]H){1|B<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a]){1|C<4>,1|N<3>,2|F<1>,2|H<1>,5|C<3>}	131.7638	0.711	4	132.0702	0.662	10	132.2950	0.819	12	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[5a])(C[6a]C[6a]H){1|B<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a]){1|N<3>,2|F<1>,3|H<1>,5|C<3>}	132.4240	1.061	4	132.0702	0.662	10	132.2950	0.819	12	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]S[5a])	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[5a])(C[6a]C[6a]H){1|B<4>,1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]S[5a]){1|N<2>,1|N<3>,2|F<1>,2|H<1>,4|C<3>}	133.4190	0.122	2	133.4190	0.015	2	132.2950	0.819	12	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2){1|N<2>,1|N<3>,2|F<1>,3|H<1>,4|C<3>}	132.6140	1.448	2	131.8898	0.409	20	131.9163	0.381	22	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2){1|N<2>,1|N<3>,3|H<1>,6|C<3>}	131.6900	0.021	2	131.8898	0.409	20	131.9163	0.381	22	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2){2|Cl<1>,1|N<2>,1|N<3>,3|H<1>,4|C<3>}	131.3815	0.405	2	131.8898	0.409	20	131.9163	0.381	22	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2){1|N<3>,2|C<2>,3|H<1>,5|C<3>}	132.2135	0.172	2	131.8898	0.409	20	131.9163	0.381	22	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2){1|N<3>,2|F<1>,3|H<1>,5|C<3>}	131.8332	0.571	12	131.8898	0.409	20	131.9163	0.381	22	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,1|H<1>,1|I<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2){1|N<3>,2|F<1>,3|H<1>,5|C<3>}	132.1810	0.260	2	132.1810	0.068	2	131.9163	0.381	22	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(CC[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a,6a]C)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(CC[6a]O){1|N<2>,2|H<1>,3|C<3>}	134.3760	0.000	1	134.3760	0.000	1	134.3760	0.000	1	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(CCC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(CCC){1|H<1>,3|C<3>}	131.8325	0.163	4	131.8325	0.027	4	132.6860	1.353	114	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Co)(CC[5]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Co<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Co)(CC[5]H){1|H<1>,3|C<3>}	132.1344	0.468	18	132.1344	0.219	18	132.6860	1.353	114	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Co)(CC[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Co<6>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Co)(CC[5a]H){1|H<1>,3|C<3>}	132.6679	0.711	16	132.6679	0.506	16	132.6860	1.353	114	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cu)(CC[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Cu<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cu)(CC[5a]C[6a]){1|H<1>,3|C<3>}	133.4752	0.704	9	133.4752	0.496	9	132.6860	1.353	114	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cu)(CC[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Cu<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cu)(CC[5a]H){1|H<1>,3|C<3>}	132.5580	0.791	4	132.5580	0.626	4	132.6860	1.353	114	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cu)(CC[6]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Cu<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cu)(CC[6]C){1|H<1>,3|C<3>}	132.2130	0.105	2	132.2130	0.011	2	132.6860	1.353	114	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Fe)(CC[5]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Fe<5>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Fe)(CC[5]H){1|H<1>,3|C<3>}	131.9118	0.536	4	131.9118	0.288	4	132.6860	1.353	114	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Fe)(CC[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Fe<6>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Fe)(CC[5a]H){1|H<1>,3|C<3>}	132.5609	0.413	24	132.5609	0.171	24	132.6860	1.353	114	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(CCC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(CCC){1|H<1>,3|C<3>}	131.5420	0.069	2	131.5420	0.005	2	132.6860	1.353	114	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(CC[5]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(CC[5]C){1|H<1>,3|C<3>}	134.5000	0.000	1	134.5000	0.000	1	132.6860	1.353	114	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(CC[5]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(CC[5]H){1|H<1>,3|C<3>}	131.4463	1.460	3	131.4463	2.131	3	132.6860	1.353	114	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(CC[6a]C[5])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(CC[6a]C[5]){1|H<1>,1|N<2>,2|C<3>}	135.1180	0.000	1	133.7875	3.540	2	132.6860	1.353	114	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(CC[6a]C[5])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(CC[6a]C[5]){1|H<1>,3|C<3>}	132.4570	0.000	1	133.7875	3.540	2	132.6860	1.353	114	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(CC[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(CC[6a]H){1|H<1>,1|N<2>,2|C<3>}	131.6610	0.083	2	131.6610	0.007	2	132.6860	1.353	114	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(COO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(COO){1|C<4>,1|H<1>,2|C<3>}	133.7380	0.000	1	133.2995	0.385	2	132.6860	1.353	114	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(COO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(COO){1|H<1>,3|C<3>}	132.8610	0.000	1	133.2995	0.385	2	132.6860	1.353	114	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ir)(CC[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Ir<7>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ir)(CC[5a]C[6a]){1|H<1>,3|C<3>}	133.6395	0.855	4	133.6395	0.731	4	132.6860	1.353	114	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ir)(CC[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Ir<7>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ir)(CC[6a]C){1|H<1>,3|C<3>}	134.5570	1.014	2	134.5570	1.028	2	132.6860	1.353	114	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ni)(CC[6]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Ni<6>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ni)(CC[6]C){1|H<1>,3|C<3>}	132.8380	0.293	2	132.8380	0.086	2	132.6860	1.353	114	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Pt)(CC[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Pt<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Pt)(CC[5a]C[6a]){1|H<1>,3|C<3>}	134.7810	0.423	4	134.7810	0.179	4	132.6860	1.353	114	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Pt)(CC[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Pt<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Pt)(CC[5a]H){1|H<1>,3|C<3>}	130.0295	0.861	4	130.0295	0.742	4	132.6860	1.353	114	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(CC[6a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(CC[6a]C){1|H<1>,4|C<3>}	135.5040	0.000	1	135.5040	0.000	1	132.6860	1.353	114	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(CC[6a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(CC[6a]O){1|H<1>,4|C<3>}	135.6430	0.000	1	135.6430	0.000	1	132.6860	1.353	114	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(CNN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(CNN){1|H<1>,4|C<3>}	134.5115	0.383	2	134.5115	0.146	2	132.6860	1.353	114	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(COO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(COO){1|H<1>,4|C<3>}	134.5510	0.000	1	134.5510	0.000	1	132.6860	1.353	114	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[5]-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]Ru)(C[5]N[5]2)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C[5])(C[6a]C[6a]H){1|Br<1>,1|Ru<6>,1|C<3>,2|N<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]Ru)(C[5]N[5]2){1|N<2>,2|H<1>,3|C<3>}	137.3510	0.000	1	137.3510	0.000	1	137.3510	0.000	1	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]2)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]2)(C[5a]N[5a]H){1|H<1>,1|S<4>,6|C<3>}	132.8730	0.000	1	132.8730	0.000	1	133.4640	0.699	2	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[5a]N[5a]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[5a]N[5a]N){1|C<4>,1|H<1>,6|C<3>}	134.0550	0.000	1	134.0550	0.000	1	133.4640	0.699	2	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(C[6]C[6]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C[6])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(C[6]C[6]2){1|H<1>,2|N<3>,2|O<1>,3|C<3>}	132.0270	0.918	2	132.0693	0.328	4	132.0693	0.328	4	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(C[6]C[6]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C[6])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(C[6]C[6]2){1|H<1>,2|O<1>,2|O<2>,3|C<3>}	132.1115	0.367	2	132.0693	0.328	4	132.0693	0.328	4	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Zn)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|Zn<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Zn)(C[6a]C[6a]2){1|N<2>,3|H<1>,4|C<3>}	133.0027	0.077	4	133.0027	0.006	4	133.3148	0.491	5	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	134.5630	0.000	1	134.5630	0.000	1	133.3148	0.491	5	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cd)(NC[5]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Cd<6>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cd)(NC[5]H){1|H<1>,1|N<2>,2|C<3>}	133.7340	0.014	2	133.7340	0.000	2	133.4222	1.142	26	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Co)(NC[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Co<5>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Co)(NC[6a]H){1|H<1>,1|N<2>,2|C<3>}	133.8430	0.000	2	133.9190	0.008	4	133.4222	1.142	26	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Co)(NC[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Co<6>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Co)(NC[6a]H){1|H<1>,1|N<2>,2|C<3>}	133.9950	0.000	2	133.9190	0.008	4	133.4222	1.142	26	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[6]Ru)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|C<3>,1|N<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[6]Ru){1|H<1>,1|N<2>,2|C<3>}	133.9100	0.000	1	133.9100	0.000	1	133.4222	1.142	26	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ir)(NC[6a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ir<7>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ir)(NC[6a]N){1|H<1>,1|N<2>,2|C<3>}	133.8870	0.000	1	133.8870	0.000	1	133.4222	1.142	26	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Li)(NC[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Li<5>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Li)(NC[5a]H){1|H<1>,1|N<2>,2|C<3>}	132.7075	0.820	2	132.8477	1.246	4	133.4222	1.142	26	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Li)(NC[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Li<5>,1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Li)(NC[5a]H){1|H<1>,1|N<3>,2|C<3>}	132.9880	1.728	2	132.8477	1.246	4	133.4222	1.142	26	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Li)(NC[6]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Li<5>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Li)(NC[6]H){1|H<1>,1|N<2>,2|C<3>}	134.1080	0.000	1	134.1080	0.000	1	133.4222	1.142	26	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ni)(NC[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ni<4>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ni)(NC[6a]H){1|H<1>,1|N<2>,2|C<3>}	133.6760	0.331	4	133.6760	0.110	4	133.4222	1.142	26	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Re)(NHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Re<6>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Re)(NHH){1|H<1>,1|N<2>,2|C<3>}	132.6697	0.039	3	132.6697	0.002	3	133.4222	1.142	26	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ru)(NC[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ru<6>,1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ru)(NC[5a]H){1|H<1>,1|N<3>,2|C<3>}	132.3165	0.747	4	132.3165	0.558	4	133.4222	1.142	26	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ru)(NC[6]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ru<7>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ru)(NC[6]H){1|H<1>,1|N<2>,2|C<3>}	133.6020	0.000	1	133.6020	0.000	1	133.4222	1.142	26	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(NOO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(NOO){1|H<1>,4|C<3>}	136.9550	0.000	1	136.9550	0.000	1	133.4222	1.142	26	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]N[5a,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(CHI)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]N[5a,5a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(CHI){1|H<1>,1|N<3>,4|C<3>}	132.0320	0.000	1	132.0320	0.000	1	132.0320	0.000	1	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:I-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]I)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O[6a])(I)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]I){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O[6a])(I){1|N<3>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,1|I<1>,2|H<1>,6|C<3>}	135.0500	0.000	1	135.0500	0.000	1	135.0500	0.000	1	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]O){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	135.3050	0.000	1	135.3050	0.000	1	135.3050	0.000	1	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a]C[6a])(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHO)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]N[6a]O){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a]C[6a])(O){1|N<3>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHO){1|N<3>,1|O<1>,2|C<3>}	128.7310	0.000	1	128.7310	0.000	1	133.4844	8.974	7	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCC)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]O){1|C<3>,4|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|O<1>,2|C<3>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCC){1|C<4>,1|O<1>,2|N<3>}	134.2690	0.000	1	134.2690	0.000	1	133.4844	8.974	7	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]O){2|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|O<1>,2|C<3>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCH){1|C<3>,1|O<1>,2|N<3>}	130.6360	0.000	1	130.6360	0.000	1	133.4844	8.974	7	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]C)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(COO)	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]C)(C[6a]N[6a]O){1|C<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O){1|N<2>,1|N<3>,1|O<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(COO){1|N<2>,1|N<3>,1|O<1>}	137.0000	0.000	1	136.8340	0.055	2	133.4844	8.974	7	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]C)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(COO)	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]C)(C[6a]N[6a]O){1|C<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O){1|N<2>,2|O<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(COO){1|N<2>,1|N<3>,1|O<1>}	136.6680	0.000	1	136.8340	0.055	2	133.4844	8.974	7	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]C)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CCH)	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]C)(C[6a]N[6a]O){2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CCH){1|O<1>,2|N<3>}	133.4520	0.000	1	133.5435	0.017	2	133.4844	8.974	7	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]C)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CCH)	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]C)(C[6a]N[6a]O){4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CCH){1|O<1>,2|N<3>}	133.6350	0.000	1	133.5435	0.017	2	133.4844	8.974	7	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6]-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6]C[6]2)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6])(C[6a]N[6a]O){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|N<2>,1|N<3>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6]C[6]2){1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|O<1>}	133.7090	0.000	1	133.7090	0.000	1	133.7090	0.000	1	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]N[6a]O){2|C<4>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|O<1>,2|C<3>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|H<1>,1|O<1>,2|N<3>,4|C<3>}	133.3690	0.000	1	133.3690	0.000	1	133.3690	0.000	1	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]N)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]N)(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(NHH)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]N)(C[6a]N[6a]O){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]N)(O){1|N<3>,1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(NHH){1|C<3>,1|N<3>,1|O<1>}	125.3320	0.000	1	125.3320	0.000	1	125.3320	0.000	1	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]N[6a])(C[5a]N[5a,6]C[6a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6]N[6a])(C[5a]N[5a,6]C[6a])(C[6a]N[6a]O){3|C<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|O<1>,2|C<3>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,2|N<3>,4|C<3>}	130.0270	0.000	1	130.0270	0.000	1	130.0270	0.000	1	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]N[6a]O){3|C<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|O<1>,2|C<3>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,2|N<3>,4|C<3>}	130.5620	0.929	2	130.5620	0.863	2	130.5620	0.863	2	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[5a]-3:N-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(NHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]N[6a]O){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O){1|N<2>,2|C<3>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(NHH){1|N<3>,1|O<1>,3|C<3>}	130.9800	1.423	2	130.9800	2.024	2	130.6647	1.310	3	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[5a]-3:N-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]S)(NHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]N[6a]O){1|C<3>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]S)(NHH){1|C<3>,1|N<3>,1|O<1>}	130.0340	0.000	1	130.0340	0.000	1	130.6647	1.310	3	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]N[5])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]N[5])(H){1|C<4>,1|N<3>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCC){1|C<4>,1|H<1>,2|C<3>}	132.6580	0.000	1	132.6580	0.000	1	132.6580	0.000	1	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(NCS)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]N){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|N<3>,2|C<3>,2|O<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(NCS){1|H<1>,2|C<3>}	135.8270	0.000	1	134.7675	2.245	2	134.7675	2.245	2	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(NCS)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]N){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|N<3>,2|C<3>,2|O<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(NCS){1|H<1>,2|C<3>}	133.7080	0.000	1	134.7675	2.245	2	134.7675	2.245	2	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(SCO)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]S){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|S<3>,2|C<3>,2|O<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(SCO){1|H<1>,4|C<3>}	134.9013	0.192	4	134.9013	0.037	4	135.0000	0.081	7	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(SC[6a]O)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]S){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|S<3>,2|C<3>,2|O<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(SC[6a]O){1|H<1>,4|C<3>}	134.9585	0.320	2	134.9585	0.103	2	135.0000	0.081	7	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SCO)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]S){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|S<3>,2|C<3>,2|O<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SCO){1|H<1>,2|C<3>}	135.4780	0.000	1	135.4780	0.000	1	135.0000	0.081	7	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)(C[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CHO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CHO){2|C<3>,2|H<1>}	134.6910	0.000	1	134.6910	0.000	1	134.6910	0.000	1	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:N-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[6a]C[6a,6a]H)(C[5a]C[5,5a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(NC[6a]C)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[6a]C[6a,6a]H)(C[5a]C[5,5a]N){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,1|N<3>,5|C<3>}	C[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(NC[6a]C){1|H<1>,5|C<3>}	131.0980	0.000	1	131.0980	0.000	1	131.0980	0.000	1	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]2){1|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,1|N<3>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]N[5a]C){1|N<3>,2|H<1>,5|C<3>}	137.5650	0.000	1	137.5650	0.000	1	137.5650	0.000	1	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Pd)(CC[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(C[5a]N[5a]C){1|Pd<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,1|N<3>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Pd)(CC[5a]C[6a]){1|H<1>,3|C<3>}	132.6945	0.214	2	132.6945	0.046	2	132.6945	0.046	2	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]H)(H){5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	130.1180	0.000	1	130.1180	0.000	1	130.1180	0.000	1	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6,6a]C[6,6a,6a]C[5a,6])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a](C[5a,6a]N[5a,6,6a]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]2)	C[5a,6a](N[5a,6,6a]C[6,6a,6a]C[5a,6])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5a,6a]N[5a,6,6a]C[5a])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5a](C[5a,6a]N[5a,6,6a]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]2){1|H<1>,2|F<1>,7|C<3>}	136.2510	0.000	1	136.2510	0.000	1	136.2510	0.000	1	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-3:	C[5a,6a](N[5a,6a]C[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]O)	C[5a,6a](N[5a,6a]C[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]O){1|H<1>,1|O<1>,4|C<3>}	133.7170	0.000	1	133.7170	0.000	1	133.7170	0.000	1	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]C[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2){1|O<2>,5|C<3>,5|H<1>}	134.1250	0.000	1	134.1250	0.000	1	134.1250	0.000	1	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]N[5a,6a]C[6a])(COO)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]N[5a,6a]C[6a])(COO){1|H<1>,5|C<3>}	134.4970	0.000	1	134.4970	0.000	1	133.7680	1.063	2	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(COO)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(COO){1|N<2>,2|H<1>,3|C<3>}	133.0390	0.000	1	133.0390	0.000	1	133.7680	1.063	2	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	129.0020	0.000	1	129.0020	0.000	1	129.0020	0.000	1	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a]N[5a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a]N[5a]){1|C<2>,1|N<2>,2|H<1>,5|C<3>}	134.9740	0.000	1	134.9740	0.000	1	134.9740	0.000	1	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](N[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[5a,6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]C)(COO)	C[5a,6a](N[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[5a,6a]H)(H){1|N<2>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]C)(COO){1|H<1>,2|C<3>}	135.6545	0.359	2	135.6545	0.129	2	135.0535	1.896	39	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(COO)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|H<1>,6|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(COO){1|H<1>,3|C<3>}	135.7990	0.000	1	135.7990	0.000	1	135.0535	1.896	39	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]2)(COO)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]2)(COO){1|Cl<1>,1|H<1>,1|N<3>,3|C<3>}	135.5320	0.000	1	135.5320	0.000	1	135.0535	1.896	39	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(COO)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(COO){1|H<1>,3|C<3>}	134.7560	0.000	1	134.7560	0.000	1	135.0535	1.896	39	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(COO)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(COO){1|H<1>,3|C<3>}	135.6640	0.000	1	135.6640	0.000	1	135.0535	1.896	39	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(COO)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(COO){1|H<1>,3|C<3>}	134.7190	0.000	1	134.1020	0.761	2	135.0535	1.896	39	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(COO)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(COO){1|H<1>,3|C<3>}	133.4850	0.000	1	134.1020	0.761	2	135.0535	1.896	39	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])(COO)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])(COO){1|C<4>,1|H<1>,4|C<3>}	134.6135	0.121	2	135.3138	2.299	5	135.0535	1.896	39	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])(COO)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])(COO){2|H<1>,4|C<3>}	136.8930	0.352	2	135.3138	2.299	5	135.0535	1.896	39	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])(COO)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])(COO){1|H<1>,5|C<3>}	133.5560	0.000	1	135.3138	2.299	5	135.0535	1.896	39	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O){1|H<1>,3|C<3>}	132.5210	0.000	1	132.5210	0.000	1	135.0535	1.896	39	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CN[5a]O)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CN[5a]O){1|C<2>,1|H<1>,2|C<3>}	133.9270	0.000	1	133.8983	0.021	3	135.0535	1.896	39	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CN[5a]O)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CN[5a]O){1|H<1>,3|C<3>}	133.8840	0.202	2	133.8983	0.021	3	135.0535	1.896	39	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(COO)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|S<2>,3|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(COO){1|H<1>,1|S<2>,2|C<3>}	135.3770	0.000	1	134.8988	1.023	8	135.0535	1.896	39	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(COO)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){5|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(COO){2|C<3>,2|H<1>}	135.3830	0.000	1	134.8988	1.023	8	135.0535	1.896	39	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(COO)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(COO){1|H<1>,3|C<3>}	134.7383	1.144	6	134.8988	1.023	8	135.0535	1.896	39	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(COO)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|H<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(COO){1|H<1>,3|C<3>}	133.4720	0.320	5	133.4720	0.102	5	135.0535	1.896	39	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(COO)	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(COO){1|C<3>,1|N<2>,2|H<1>}	135.9490	0.000	1	135.9490	0.000	1	135.0535	1.896	39	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CCO)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<2>,3|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CCO){2|C<3>,2|H<1>}	134.1930	0.000	1	134.1930	0.000	1	135.0535	1.896	39	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]C)(COO)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|N<3>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|C<2>,1|N<2>,5|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]C)(COO){1|H<1>,2|C<3>}	137.0460	0.228	4	137.0460	0.052	4	135.0535	1.896	39	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]H)(COO)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]H)(COO){1|H<1>,2|C<3>}	136.8240	0.000	1	136.8240	0.000	1	135.0535	1.896	39	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])(COO)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])(COO){1|H<1>,4|C<3>}	137.4420	0.000	1	137.4420	0.000	1	135.0535	1.896	39	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]H)(COO)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]H)(COO){1|H<1>,2|C<3>}	135.8970	0.000	1	135.8970	0.000	1	135.0535	1.896	39	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a]){1|O<2>,2|H<1>,5|C<3>}	135.9940	0.000	1	135.9940	0.000	1	135.9940	0.000	1	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<2>,3|H<1>,4|C<3>}	129.1200	0.000	1	131.9680	11.619	4	133.7547	9.117	11	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|Cl<1>,1|C<2>,2|H<1>,4|C<3>}	128.9140	0.000	1	131.9680	11.619	4	133.7547	9.117	11	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	134.8790	0.000	1	131.9680	11.619	4	133.7547	9.117	11	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){4|C<3>,4|H<1>}	134.9590	0.000	1	131.9680	11.619	4	133.7547	9.117	11	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	135.5980	0.000	1	135.5980	0.000	1	133.7547	9.117	11	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|H<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	133.6250	0.085	2	133.6250	0.007	2	133.7547	9.117	11	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	131.2190	0.000	1	132.4360	2.962	2	133.7547	9.117	11	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){4|C<3>,4|H<1>}	133.6530	0.000	1	132.4360	2.962	2	133.7547	9.117	11	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){3|H<1>,4|C<3>}	137.8550	0.206	2	137.8550	0.043	2	133.7547	9.117	11	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a](N[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[5a,6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]C)(NOO)	C[5a,6a](N[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[5a,6a]H)(H){1|N<2>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]C)(NOO){1|H<1>,2|C<3>}	136.8460	0.000	1	136.8460	0.000	1	135.3730	2.693	7	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(NC[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(NC[6a]H){1|H<1>,3|C<3>}	134.1065	0.516	4	134.1065	0.266	4	135.3730	2.693	7	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]C)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(NOO)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]C)(H){1|N<3>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(NOO){1|Cl<1>,1|H<1>,2|C<3>}	137.5700	0.000	1	137.5700	0.000	1	135.3730	2.693	7	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]C)(NOO)	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|N<2>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]C)(NOO){1|H<1>,2|C<3>}	136.7690	0.000	1	136.7690	0.000	1	135.3730	2.693	7	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6]C[6]N[6])(C[5a]N[5a]C)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6]C[6]N[6])(C[5a]N[5a]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	137.2540	0.000	1	137.2540	0.000	1	137.2540	0.000	1	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]C)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]C){1|N<3>,2|H<1>,3|C<3>}	136.1340	0.000	1	136.4370	0.184	2	136.4370	0.184	2	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]C)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]C){2|H<1>,4|C<3>}	136.7400	0.000	1	136.4370	0.184	2	136.4370	0.184	2	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](N[5a,6a]B[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]B[5a]B)	C[5a,6a](N[5a,6a]B[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|B<4>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]B[5a]B){2|F<1>,3|H<1>,4|C<3>}	129.9380	0.000	1	129.9380	0.000	1	130.4520	0.287	5	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](N[5a,6a]B[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]B[5a]H)	C[5a,6a](N[5a,6a]B[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]B[5a]H){3|H<1>,6|C<3>}	130.4730	0.583	3	130.4730	0.340	3	130.4520	0.287	5	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](N[5a,6a]B[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]B[5a]H)	C[5a,6a](N[5a,6a]B[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]B[5a]H){2|C<4>,2|H<1>,4|C<3>}	130.9030	0.000	1	130.9030	0.000	1	130.4520	0.287	5	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:C-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(CC[6a]O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(CC[6a]O){2|H<1>,4|C<3>}	134.7273	0.179	3	134.7273	0.032	3	134.7273	0.032	3	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C-3:	C[5a,6a](N[5a,6a]B[5,5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]B[5,5a]C[6a])(CHN)	C[5a,6a](N[5a,6a]B[5,5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>,2|O<2>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]B[5,5a]C[6a])(CHN){1|H<1>,2|O<2>,4|C<3>}	130.9570	0.000	1	130.9570	0.000	1	130.9570	0.000	1	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]N[5a,6a]O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[5a,6a]C[5a,6a]C[5a])(O)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]N[5a,6a]O){1|O<1>,6|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[5a,6a]C[5a,6a]C[5a])(O){7|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	131.4530	0.000	1	131.4530	0.000	1	131.4530	0.000	1	133.9279	3.979	1462	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]N[5a,6]C)(CCHH)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]N[5a,6]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	135.7710	0.000	1	135.7710	0.000	1	136.1225	0.247	2	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]N[5a,6]C[6a])(CH3)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]N[5a,6]C[6a])(CH3){1|C<4>,1|H<1>,4|C<3>}	136.4740	0.000	1	136.4740	0.000	1	136.1225	0.247	2	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]C)(CCHH)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]C)(CCHH){1|H<1>,3|C<3>}	133.9250	0.000	1	133.9250	0.000	1	134.2367	0.143	3	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]H)(CH3)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]H)(CH3){1|H<1>,3|C<3>}	134.3925	0.375	2	134.3925	0.141	2	134.2367	0.143	3	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:Si-4:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]Si)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]H)(SiC3)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]Si)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]H)(SiC3){1|H<1>,3|C<3>}	135.5915	0.125	2	135.5915	0.016	2	135.5915	0.016	2	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[5a]-3:C[4]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[4])(C[6a]C[6a]Br)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Br)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[4]C[4]2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[4])(C[6a]C[6a]Br){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Br){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[4]C[4]2H){1|Br<1>,1|H<1>,2|C<4>,4|C<3>}	137.1510	0.000	1	137.1510	0.000	1	137.1510	0.000	1	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(F)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]F){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(F){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|F<1>,1|H<1>,2|C<3>}	136.3130	0.000	1	136.3130	0.000	1	136.3130	0.000	1	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:Si-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]Si)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(SiC3)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]Si)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(SiC3){1|H<1>,5|C<3>}	130.2520	0.000	1	129.9720	0.157	2	129.9720	0.157	2	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:Si-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]Si)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(SiC3)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]Si)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Si<4>,1|N<3>,3|C<3>}	C[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(SiC3){1|H<1>,5|C<3>}	129.6920	0.000	1	129.9720	0.157	2	129.9720	0.157	2	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	133.4440	0.000	1	133.4440	0.000	1	132.8935	0.483	6	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|C<4>,1|H<1>,4|C<3>}	133.5310	0.339	2	133.5310	0.115	2	132.8935	0.483	6	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|C<4>,1|H<1>,4|C<3>}	132.3540	0.212	2	132.2850	0.037	3	132.8935	0.483	6	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	132.1470	0.000	1	132.2850	0.037	3	132.8935	0.483	6	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]O[5])(CH3)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]O[5])(CH3){1|H<1>,4|C<3>}	130.3930	0.000	1	130.3930	0.000	1	133.1932	0.802	17	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5,5])(CH3)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5,5])(CH3){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	133.1570	0.212	2	133.1570	0.045	2	133.1932	0.802	17	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(CCHH)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(CCHH){2|C<3>,2|H<1>,3|C<4>}	133.5700	0.000	1	133.0800	0.180	3	133.1932	0.802	17	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(CCHH)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(CCHH){2|C<4>,2|H<1>,3|C<3>}	132.8440	0.000	1	133.0800	0.180	3	133.1932	0.802	17	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(CCHH)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(CCHH){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	132.8260	0.000	1	133.0800	0.180	3	133.1932	0.802	17	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(CH3)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(CH3){2|C<3>,2|H<1>,3|C<4>}	133.0845	0.095	2	133.6490	0.214	9	133.1932	0.802	17	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(CH3)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(CH3){2|C<4>,2|H<1>,3|C<3>}	133.8638	0.390	6	133.6490	0.214	9	133.1932	0.802	17	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(CH3)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(CH3){1|N<3>,2|H<1>,4|C<3>}	133.4890	0.000	1	133.6490	0.214	9	133.1932	0.802	17	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]B[5])(CC[6a]2H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|B<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]B[5])(CC[6a]2H){1|H<1>,1|O<2>,2|F<1>,3|C<3>}	132.7485	0.754	2	132.7485	0.569	2	133.1932	0.802	17	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[6]-4:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(C[6]C[6]2H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(C[6]C[6]2H){1|O<2>,2|C<3>,4|C<4>,6|H<1>}	133.9040	0.000	1	133.9040	0.000	1	133.9040	0.000	1	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a,5a]2)(CH3)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]C)(C[6a]C[6a]H){1|B<4>,1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a,5a]2)(CH3){1|B<4>,1|H<1>,4|C<3>}	133.2360	0.000	1	133.2360	0.000	1	133.2360	0.000	1	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	133.5880	0.488	2	133.5880	0.238	2	133.1938	0.544	32	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[5,6])(CH3)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[5,6])(CH3){1|H<1>,2|N<3>,3|C<3>}	133.9460	0.000	1	133.9460	0.000	1	133.1938	0.544	32	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6,6])(CH3)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6,6])(CH3){1|H<1>,3|C<3>,3|C<4>}	132.7280	0.000	1	132.9906	0.537	5	133.1938	0.544	32	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6,6])(CH3)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6,6])(CH3){2|C<3>,2|H<1>,3|C<4>}	132.7190	0.000	1	132.9906	0.537	5	133.1938	0.544	32	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6,6])(CH3)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6,6])(CH3){1|H<1>,2|C<4>,3|C<3>}	133.7310	0.117	2	132.9906	0.537	5	133.1938	0.544	32	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6,6])(CH3)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6,6])(CH3){2|C<4>,2|H<1>,3|C<3>}	132.0440	0.000	1	132.9906	0.537	5	133.1938	0.544	32	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CCNO)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CCNO){1|H<1>,3|C<3>,3|C<4>}	133.5830	0.000	1	133.5830	0.000	1	133.1938	0.544	32	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|B<3>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3){1|B<3>,2|H<1>,4|C<3>}	133.3510	0.130	4	133.2139	0.542	22	133.1938	0.544	32	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3){1|C<4>,1|H<1>,5|C<3>}	134.1010	0.126	2	133.2139	0.542	22	133.1938	0.544	32	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	132.2330	1.580	2	133.2139	0.542	22	133.1938	0.544	32	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	133.9960	0.000	1	133.2139	0.542	22	133.1938	0.544	32	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	132.8660	0.000	1	133.2139	0.542	22	133.1938	0.544	32	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3){1|C<4>,2|H<1>,4|C<3>}	134.4680	0.000	1	133.2139	0.542	22	133.1938	0.544	32	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3){2|C<3>,2|H<1>,3|C<4>}	133.2890	0.129	3	133.2139	0.542	22	133.1938	0.544	32	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3){2|C<4>,2|H<1>,3|C<3>}	133.2160	0.808	3	133.2139	0.542	22	133.1938	0.544	32	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3){1|C<4>,3|C<3>,3|H<1>}	132.7893	0.521	3	133.2139	0.542	22	133.1938	0.544	32	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3){1|O<2>,2|H<1>,4|C<3>}	132.7100	0.000	2	133.2139	0.542	22	133.1938	0.544	32	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]N[6])(CCHH)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]N[6])(CCHH){1|C<4>,1|H<1>,4|C<3>}	131.8390	0.000	1	131.8390	0.000	1	133.1938	0.544	32	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,5|C<3>}	130.1355	1.210	2	130.1355	1.464	2	131.7864	1.149	14	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(CC[6a]CH)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(CC[6a]CH){1|H<1>,5|C<3>}	132.5475	0.534	2	132.5475	0.285	2	131.7864	1.149	14	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(CH3)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	131.2997	0.535	3	131.4932	0.160	6	131.7864	1.149	14	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(CH3)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(CH3){2|H<1>,4|C<3>}	131.6867	0.046	3	131.4932	0.160	6	131.7864	1.149	14	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(CHHO)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(CHHO){2|H<1>,4|C<3>}	132.9440	0.000	1	132.9440	0.000	1	131.7864	1.149	14	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	133.1605	0.107	2	133.1605	0.011	2	131.7864	1.149	14	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	131.4190	0.000	1	131.4190	0.000	1	131.7864	1.149	14	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:B-4:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]B)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[3])(BC[6a]3)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]B)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[3])(BC[6a]3){2|C<3>,2|C<4>,2|H<1>}	130.4780	0.000	1	130.4780	0.000	1	130.4780	0.000	1	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|C<4>,1|H<1>,4|C<3>}	131.7940	0.192	2	131.7940	0.037	2	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	132.4530	0.000	2	132.4530	0.000	2	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CH3){1|H<1>,2|C<3>}	134.5690	0.000	1	134.5690	0.000	1	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(CC[6a]HH){1|H<1>,2|C<3>}	134.3020	0.000	1	134.3020	0.000	1	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N)(CH3)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N)(CH3){1|H<1>,2|C<3>}	134.0640	0.000	1	134.0640	0.000	1	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,5|C<3>}	131.7320	0.433	2	133.9029	2.462	9	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){2|H<1>,4|C<3>}	134.5231	1.110	7	133.9029	2.462	9	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	133.7883	0.189	3	133.7382	0.034	4	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	133.5880	0.000	1	133.7382	0.034	4	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]CH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]CH){2|C<3>,2|H<1>}	133.4820	0.000	1	133.4820	0.000	1	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH){2|C<3>,2|H<1>}	133.2870	0.000	1	133.2870	0.000	1	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){2|C<3>,2|H<1>}	133.8737	0.233	3	133.3880	0.980	4	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,3|C<3>}	131.9310	0.000	1	133.3880	0.980	4	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHN){2|C<3>,2|H<1>}	134.8830	0.000	1	134.8830	0.000	1	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHO){1|C<4>,1|H<1>,2|C<3>}	134.1940	0.000	1	134.1940	0.000	1	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH){2|C<3>,2|H<1>}	134.5760	0.000	1	134.5760	0.000	1	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CC){2|C<3>,2|H<1>}	134.8344	0.500	7	134.8344	0.250	7	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH){1|C<4>,1|H<1>,2|C<3>}	133.9820	0.028	4	133.7202	0.188	6	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH){2|C<3>,2|H<1>}	133.1965	0.340	2	133.7202	0.188	6	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,1|S<4>,4|C<3>}	131.8250	0.000	1	133.0800	3.150	2	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){2|H<1>,4|C<3>}	134.3350	0.000	1	133.0800	3.150	2	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH){1|C<4>,1|H<1>,2|C<3>}	135.4190	0.000	1	135.4190	0.000	1	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	133.1100	0.071	2	133.1123	0.003	3	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	133.1170	0.000	1	133.1123	0.003	3	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){2|C<3>,2|H<1>}	133.4580	0.000	1	133.2135	0.120	2	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	132.9690	0.000	1	133.2135	0.120	2	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){2|C<3>,2|H<1>}	134.3570	0.000	1	133.9188	0.380	12	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){2|C<3>,2|H<1>}	133.8790	0.630	11	133.9188	0.380	12	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH){2|C<3>,2|H<1>}	133.5950	0.000	1	133.5950	0.000	1	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CC){2|C<3>,2|H<1>}	135.1005	0.653	2	135.1005	0.426	2	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CN){2|C<3>,2|H<1>}	135.0260	0.000	1	135.0260	0.000	1	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){2|C<3>,2|H<1>}	133.9620	0.000	1	133.9620	0.000	1	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]CH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]CH){2|H<1>,4|C<3>}	134.7405	0.702	2	134.7405	0.493	2	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	133.4545	0.067	2	133.3510	0.034	3	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	133.1440	0.000	1	133.3510	0.034	3	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5a]HH){1|C<4>,1|H<1>,2|C<3>}	133.6150	0.109	2	133.6150	0.012	2	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,3|C<3>}	131.3800	0.000	1	132.4035	2.095	2	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){2|C<3>,2|H<1>}	133.4270	0.000	1	132.4035	2.095	2	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH){2|C<3>,2|H<1>}	132.9610	0.000	1	132.9610	0.000	1	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HO){1|H<1>,3|C<3>}	132.6360	0.000	1	132.6360	0.000	1	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CC[6a]CH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|P<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CC[6a]CH){2|C<3>,2|H<1>}	134.0440	0.000	1	134.0440	0.000	1	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]2O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|F<1>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]2O){1|H<1>,5|C<3>}	134.1310	0.000	1	134.1310	0.000	1	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|F<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	133.5453	0.248	3	133.5453	0.061	3	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5a]HH){1|C<4>,1|H<1>,2|C<3>}	133.8965	0.094	2	133.8965	0.009	2	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|F<1>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){2|C<3>,2|H<1>}	133.9330	0.000	1	133.9330	0.000	1	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CCHH){1|C<4>,1|H<1>,4|C<3>}	134.0583	0.380	3	133.7324	0.339	5	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CCHH){2|H<1>,4|C<3>}	133.2435	0.523	2	133.7324	0.339	5	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[5a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[5a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	133.5395	0.547	2	133.5395	0.299	2	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]HH){1|H<1>,5|C<3>}	132.2850	0.000	1	132.2850	0.000	1	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3){1|N<3>,2|H<1>,3|C<3>}	133.7850	0.000	1	133.2997	0.182	3	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3){1|S<2>,2|H<1>,3|C<3>}	133.0570	0.100	2	133.2997	0.182	3	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]N[5a])(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]N[5a])(CCHH){1|C<4>,3|C<3>,3|H<1>}	134.4930	0.000	1	133.7347	0.330	17	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]N[5a])(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]N[5a])(CCHH){2|C<3>,2|C<4>,3|H<1>}	133.8546	0.071	5	133.7347	0.330	17	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]N[5a])(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]N[5a])(CCHH){2|C<3>,2|H<1>,3|C<4>}	133.6470	0.952	2	133.7347	0.330	17	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]N[5a])(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]N[5a])(CCHH){2|C<4>,2|H<1>,3|C<3>}	133.8126	0.424	5	133.7347	0.330	17	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]N[5a])(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]N[5a])(CCHH){2|C<4>,2|H<1>,3|C<3>}	133.1883	1.010	3	133.7347	0.330	17	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]N[5a])(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]N[5a])(CCHH){2|C<3>,2|H<1>,3|C<4>}	133.8020	0.000	1	133.7347	0.330	17	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCCH){1|C<4>,1|H<1>,4|C<3>}	135.0170	0.000	1	134.0890	1.722	2	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCCH){1|H<1>,5|C<3>}	133.1610	0.000	1	134.0890	1.722	2	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCFF)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCFF){1|C<4>,1|H<1>,4|C<3>}	135.3660	0.000	1	135.3660	0.000	1	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,1|S<4>,4|C<3>}	132.0520	0.000	1	133.8974	1.417	12	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){2|H<1>,4|C<3>}	134.3360	0.651	10	133.8974	1.417	12	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,5|C<3>}	131.3570	0.000	1	133.8974	1.417	12	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHO){1|H<1>,1|S<4>,4|C<3>}	131.4165	0.271	2	131.4165	0.073	2	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]CH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]CH){1|C<4>,1|H<1>,4|C<3>}	133.8000	0.000	1	134.5143	0.393	3	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]CH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]CH){2|H<1>,4|C<3>}	134.8715	0.146	2	134.5143	0.393	3	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]C[6]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]C[6]H){2|H<1>,4|C<3>}	134.8510	0.000	1	134.8510	0.000	1	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|C<4>,1|H<1>,4|C<3>}	132.4210	0.000	1	132.8268	0.987	8	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|H<1>,1|S<4>,4|C<3>}	131.4180	0.000	1	132.8268	0.987	8	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){2|H<1>,4|C<3>}	133.7070	0.000	1	132.8268	0.987	8	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){2|H<1>,4|C<3>}	134.3860	0.000	1	132.8268	0.987	8	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|H<1>,5|C<3>}	132.6705	0.696	4	132.8268	0.987	8	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CHHO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CHHO){1|C<4>,1|H<1>,4|C<3>}	133.4250	0.000	1	133.4250	0.000	1	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]B)(CC[6a]2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]B)(CC[6a]2H){1|C<4>,1|H<1>,2|C<3>}	134.8570	0.000	1	134.8570	0.000	1	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]B)(CHHN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]B)(CHHN){1|C<4>,1|H<1>,2|C<3>}	134.4290	0.000	1	134.4290	0.000	1	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Br)(CC[6a]CH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Br)(CC[6a]CH){2|C<3>,2|H<1>}	134.1460	0.000	1	134.1460	0.000	1	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CBr2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CBr2H){1|H<1>,1|S<4>,2|C<3>}	132.6010	0.000	1	132.6010	0.000	1	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CBrHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CBrHH){1|H<1>,1|S<4>,2|C<3>}	132.6530	0.000	1	132.6530	0.000	1	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH){1|H<1>,1|S<4>,2|C<3>}	132.5077	0.812	3	134.0121	1.083	14	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH){2|C<3>,2|H<1>}	134.8455	0.419	4	134.0121	1.083	14	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH){1|C<4>,1|H<1>,2|C<3>}	134.2365	0.683	6	134.0121	1.083	14	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH){1|C<4>,1|H<1>,2|C<3>}	133.8450	0.000	1	134.0121	1.083	14	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCFF)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCFF){1|C<4>,1|H<1>,2|C<3>}	134.7455	0.223	2	134.7455	0.050	2	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	134.4820	0.000	1	133.8062	0.421	33	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|F<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	133.8380	0.000	1	133.8062	0.421	33	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,1|S<4>,2|C<3>}	131.9130	0.000	1	133.8062	0.421	33	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	134.0230	0.000	1	133.8062	0.421	33	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	133.9885	0.555	11	133.8062	0.421	33	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	133.9940	0.000	1	133.8062	0.421	33	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	133.4115	0.237	2	133.8062	0.421	33	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	133.4590	0.000	1	133.8062	0.421	33	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	134.3280	0.000	1	133.8062	0.421	33	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	133.8321	0.624	12	133.8062	0.421	33	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,3|C<3>}	132.8850	0.000	1	133.8062	0.421	33	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHO){2|C<3>,2|H<1>}	135.6360	0.000	1	135.6360	0.000	1	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5]HH){2|C<3>,2|H<1>}	133.7580	0.000	1	133.7580	0.000	1	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5a]CH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5a]CH){1|C<4>,1|H<1>,2|C<3>}	134.8345	0.252	2	134.4750	0.420	3	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5a]CH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5a]CH){2|C<3>,2|H<1>}	133.7560	0.000	1	134.4750	0.420	3	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5a]HH){1|C<4>,1|H<1>,2|C<3>}	134.2006	0.303	5	134.2006	0.092	5	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6,6]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6,6]HH){2|C<3>,2|H<1>}	133.9505	0.204	2	133.9505	0.042	2	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]HH){2|C<3>,2|H<1>}	133.4382	0.409	5	133.1470	0.259	8	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]HH){1|H<1>,1|S<4>,2|C<3>}	132.6150	0.000	2	133.1470	0.259	8	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]HH){2|C<3>,2|H<1>}	132.7550	0.000	1	133.1470	0.259	8	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]CH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]CH){2|C<3>,2|H<1>}	134.6025	0.729	4	134.2512	1.021	6	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]CH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]CH){1|H<1>,1|S<4>,2|C<3>}	132.5410	0.000	1	134.2512	1.021	6	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]CH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]CH){2|C<3>,2|H<1>}	134.5560	0.000	1	134.2512	1.021	6	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]CN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]CN){2|C<3>,2|H<1>}	136.2330	0.000	1	136.2330	0.000	1	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|H<1>,1|S<4>,2|C<3>}	132.2110	0.000	1	132.8296	0.755	8	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|H<1>,1|S<4>,2|C<3>}	132.4410	0.282	4	132.8296	0.755	8	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){2|C<3>,2|H<1>}	134.1150	0.000	1	132.8296	0.755	8	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){2|C<3>,2|H<1>}	134.2770	0.000	1	132.8296	0.755	8	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|H<1>,1|S<4>,2|C<3>}	132.2700	0.000	1	132.8296	0.755	8	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HO){1|H<1>,1|S<4>,2|C<3>}	133.0710	0.000	1	133.0710	0.000	1	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	133.0165	0.086	2	133.1871	0.795	54	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){2|C<3>,2|H<1>}	133.6923	0.506	6	133.1871	0.795	54	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,1|P<4>,2|C<3>}	132.8823	0.770	3	133.1871	0.795	54	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,1|S<4>,2|C<3>}	132.1569	0.323	8	133.1871	0.795	54	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){2|C<3>,2|H<1>}	133.7917	0.386	12	133.1871	0.795	54	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){2|C<3>,2|H<1>}	134.6940	0.127	2	133.1871	0.795	54	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	133.0057	1.200	7	133.1871	0.795	54	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){2|C<3>,2|H<1>}	133.6690	0.000	1	133.1871	0.795	54	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	133.2488	0.242	5	133.1871	0.795	54	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,3|C<3>}	132.3760	0.000	1	133.1871	0.795	54	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	134.0490	0.000	1	133.1871	0.795	54	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,1|S<4>,2|C<3>}	132.3558	0.889	5	133.1871	0.795	54	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){2|C<3>,2|H<1>}	133.9680	0.000	1	133.1871	0.795	54	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CHHN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CHHN){2|C<3>,2|H<1>}	134.9370	0.000	1	134.9370	0.000	1	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CHHO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CHHO){1|H<1>,1|S<4>,2|C<3>}	132.5390	0.000	1	132.5390	0.000	1	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CHHS)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CHHS){2|C<3>,2|H<1>}	133.6500	0.000	1	133.6500	0.000	1	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	131.8170	0.242	3	133.0489	0.636	15	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	133.2285	0.354	2	133.0489	0.636	15	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	133.7275	0.177	2	133.0489	0.636	15	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH){1|C<4>,3|C<3>,3|H<1>}	132.3800	0.000	1	133.0489	0.636	15	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH){2|C<3>,2|C<4>,3|H<1>}	133.9360	0.874	2	133.0489	0.636	15	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	133.4690	0.000	1	133.0489	0.636	15	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	133.2280	0.076	2	133.0489	0.636	15	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	133.0970	0.240	2	133.0489	0.636	15	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CH3){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	130.0770	0.000	1	132.6312	3.106	4	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CH3){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	133.3420	0.000	1	132.6312	3.106	4	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CH3){1|C<4>,3|C<3>,3|H<1>}	134.0960	0.000	1	132.6312	3.106	4	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CH3){2|H<1>,5|C<3>}	133.0100	0.000	1	132.6312	3.106	4	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CCHH){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	131.6690	0.000	1	133.3248	0.537	13	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CCHH){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	132.3710	0.000	1	133.3248	0.537	13	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CCHH){1|C<4>,2|H<1>,4|C<3>}	133.5450	0.000	1	133.3248	0.537	13	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CCHH){1|C<4>,3|C<3>,3|H<1>}	134.2890	0.000	1	133.3248	0.537	13	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CCHH){2|C<3>,2|C<4>,3|H<1>}	132.7700	0.000	1	133.3248	0.537	13	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CCHH){2|C<4>,2|H<1>,3|C<3>}	133.7335	0.250	6	133.3248	0.537	13	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CCHH){1|C<4>,2|H<1>,4|C<3>}	133.0890	0.274	2	133.3248	0.537	13	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CH3){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	131.2740	0.000	1	133.3036	1.894	5	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CH3){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	134.4115	0.981	2	133.3036	1.894	5	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CH3){1|C<4>,3|C<3>,3|H<1>}	133.1070	0.000	1	133.3036	1.894	5	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CH3){1|N<3>,2|H<1>,3|C<3>}	133.3140	0.000	1	133.3036	1.894	5	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC3){1|C<4>,1|H<1>,2|C<3>}	135.3930	0.000	1	134.3167	1.343	3	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|S<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC3){1|H<1>,1|S<4>,2|C<3>}	134.4670	0.000	1	134.3167	1.343	3	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC3){1|H<1>,3|C<3>}	133.0900	0.000	1	134.3167	1.343	3	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH){1|C<4>,1|H<1>,2|C<3>}	135.0185	0.485	4	134.3687	0.626	11	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH){2|C<3>,2|H<1>}	134.1563	0.256	3	134.3687	0.626	11	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH){2|C<3>,2|H<1>}	134.5505	0.665	2	134.3687	0.626	11	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH){1|H<1>,3|C<3>}	133.6440	0.000	1	134.3687	0.626	11	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH){1|H<1>,3|C<3>}	132.7680	0.000	1	134.3687	0.626	11	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	133.8885	0.830	15	134.1457	0.402	167	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){2|C<3>,2|H<1>}	134.6575	0.203	2	134.1457	0.402	167	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|S<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,1|S<4>,2|C<3>}	132.4780	0.000	1	134.1457	0.402	167	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){2|C<3>,2|H<1>}	133.9585	0.467	2	134.1457	0.402	167	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){2|C<3>,2|H<1>}	134.1869	0.585	143	134.1457	0.402	167	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){2|C<3>,2|H<1>}	134.7330	0.000	1	134.1457	0.402	167	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){2|C<3>,2|H<1>}	134.8150	0.000	1	134.1457	0.402	167	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,3|C<3>}	133.0115	0.453	2	134.1457	0.402	167	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHN){1|C<4>,1|H<1>,2|C<3>}	135.0110	0.000	1	134.0483	1.588	3	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHN){1|C<4>,1|H<1>,2|C<3>}	133.5670	1.336	2	134.0483	1.588	3	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[3x6]HO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[3x6]HO){2|C<3>,2|H<1>}	135.1820	0.000	1	135.1820	0.000	1	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]CH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]CH){1|C<4>,1|H<1>,2|C<3>}	135.1610	0.000	1	134.3183	0.581	3	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]CH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]CH){1|H<1>,3|C<3>}	133.8970	0.311	2	134.3183	0.581	3	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH){2|C<3>,2|H<1>}	134.1010	0.635	17	134.1010	0.403	17	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|S<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HN){1|H<1>,1|S<4>,2|C<3>}	133.1330	0.000	1	133.1330	0.000	1	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|S<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HO){1|H<1>,1|S<4>,2|C<3>}	134.0570	0.000	1	134.0570	0.000	1	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]2H){1|C<4>,1|H<1>,2|C<3>}	133.6883	0.312	3	133.6883	0.098	3	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|S<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CC){1|H<1>,1|S<4>,2|C<3>}	133.8050	0.000	1	135.1368	1.154	4	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CC){2|C<3>,2|H<1>}	135.1605	0.197	2	135.1368	1.154	4	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CC){2|C<3>,2|H<1>}	136.4210	0.000	1	135.1368	1.154	4	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CH){1|C<4>,1|H<1>,2|C<3>}	132.4170	0.000	1	134.2176	0.649	8	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CH){1|C<4>,1|H<1>,2|C<3>}	134.5428	0.358	6	134.2176	0.649	8	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CH){2|C<3>,2|H<1>}	134.0670	0.000	1	134.2176	0.649	8	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CO){2|C<3>,2|H<1>}	135.3690	0.000	1	135.3690	0.000	1	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]HH){1|C<4>,1|H<1>,2|C<3>}	133.6235	0.168	2	133.8097	0.126	6	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]HH){2|C<3>,2|H<1>}	133.9027	0.406	4	133.8097	0.126	6	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]CH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|S<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]CH){1|H<1>,1|S<4>,2|C<3>}	133.7060	0.000	1	133.7060	0.000	1	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH){2|C<3>,2|H<1>}	135.0900	0.000	1	133.9466	0.723	18	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH){2|C<3>,2|H<1>}	134.1929	0.563	12	133.9466	0.723	18	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH){1|H<1>,3|C<3>}	133.1268	0.924	5	133.9466	0.723	18	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HS)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HS){2|C<3>,2|H<1>}	134.4050	0.000	1	134.4050	0.000	1	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]2H){2|C<3>,2|H<1>}	134.0930	0.000	1	134.0930	0.000	1	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CC){1|C<4>,1|H<1>,2|C<3>}	133.8690	0.000	1	134.2083	0.344	7	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CC){2|C<3>,2|H<1>}	134.2858	0.692	5	134.2083	0.344	7	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CC){1|H<1>,3|C<3>}	134.1600	0.000	1	134.2083	0.344	7	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH){1|C<4>,1|H<1>,2|C<3>}	133.0650	0.000	1	133.7954	0.647	17	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH){1|C<4>,1|H<1>,2|C<3>}	134.4510	0.000	1	133.7954	0.647	17	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH){2|C<3>,2|H<1>}	133.6010	0.000	1	133.7954	0.647	17	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH){2|C<3>,2|H<1>}	134.1941	0.461	10	133.7954	0.647	17	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Si<4>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH){1|Si<4>,1|H<1>,2|C<3>}	132.9770	0.000	1	133.7954	0.647	17	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH){1|H<1>,3|C<3>}	134.0410	0.000	1	133.7954	0.647	17	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH){1|H<1>,3|C<3>}	132.2225	0.407	2	133.7954	0.647	17	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CN){1|C<4>,1|H<1>,2|C<3>}	134.4935	0.206	2	134.6483	0.093	3	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CN){2|C<3>,2|H<1>}	134.9580	0.000	1	134.6483	0.093	3	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CO){2|C<3>,2|H<1>}	134.5925	0.712	2	134.5925	0.507	2	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HN){1|C<4>,1|H<1>,2|C<3>}	134.2330	0.000	1	134.0803	0.091	4	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HN){2|C<3>,2|H<1>}	134.0293	0.347	3	134.0803	0.091	4	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HO){2|C<3>,2|H<1>}	134.7150	0.000	1	134.7150	0.000	1	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CDyCO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CDyCO){1|C<4>,1|H<1>,2|C<3>}	134.8842	0.228	5	134.8842	0.052	5	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|B<3>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|B<3>,1|H<1>,2|C<3>}	133.0730	0.000	1	131.8972	5.749	13	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	132.8070	0.000	1	131.8972	5.749	13	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	134.1650	0.000	1	131.8972	5.749	13	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|P<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|H<1>,1|P<4>,2|C<3>}	132.8810	0.000	1	131.8972	5.749	13	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|H<1>,3|C<3>}	126.7750	0.000	2	131.8972	5.749	13	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|H<1>,3|C<3>}	132.5981	0.890	7	131.8972	5.749	13	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHHN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHHN){2|C<3>,2|H<1>}	134.6698	0.844	5	134.6698	0.712	5	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHHO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHHO){2|C<3>,2|H<1>}	134.3483	0.185	3	134.3483	0.034	3	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHHS)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHHS){2|C<3>,2|H<1>}	134.5377	0.394	4	134.5377	0.155	4	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN[5a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN[5a]HH){2|C<3>,2|H<1>}	133.7670	0.000	1	133.7670	0.000	1	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Mn)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Mn<6>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Mn)(CH3){1|H<1>,3|C<3>}	132.7640	0.000	1	132.7640	0.000	1	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH){1|C<4>,1|H<1>,2|C<3>}	133.2190	0.000	1	133.4440	0.101	2	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH){2|C<3>,2|H<1>}	133.6690	0.000	1	133.4440	0.101	2	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CC[6a]CH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CC[6a]CH){1|H<1>,3|C<3>}	131.8040	0.000	1	131.8040	0.000	1	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CH3){1|H<1>,3|C<3>}	131.9980	0.000	1	131.9980	0.000	1	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[6a])(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[6a])(CH3){1|C<4>,1|H<1>,4|C<3>}	131.9970	0.000	1	132.8090	0.585	3	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[6a])(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[6a])(CH3){2|H<1>,4|C<3>}	133.2150	0.426	2	132.8090	0.585	3	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|P<3>,1|P<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CH3){1|H<1>,1|P<3>,2|C<3>}	131.5300	0.000	1	132.4958	1.140	34	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|P<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CH3){2|C<3>,2|H<1>}	133.9003	0.392	6	132.4958	1.140	34	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|P<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CH3){2|C<3>,2|H<1>}	133.5765	0.560	6	132.4958	1.140	34	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|P<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CH3){1|H<1>,1|P<4>,2|C<3>}	131.8317	0.559	21	132.4958	1.140	34	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Pd)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Pd<4>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Pd)(CCHH){2|C<3>,2|H<1>}	133.8765	0.517	4	133.8765	0.267	4	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Rh)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Rh<8>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Rh)(CH3){1|H<1>,3|C<3>}	132.9070	0.000	1	132.9070	0.000	1	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CCCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|S<2>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CCCH){1|H<1>,1|S<4>,2|C<3>}	132.9810	0.000	1	132.9810	0.000	1	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CCHN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CCHN){1|C<4>,1|H<1>,2|C<3>}	133.6830	0.000	1	133.6830	0.000	1	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CC[6a]CH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CC[6a]CH){1|C<4>,1|H<1>,2|C<3>}	134.1610	0.074	2	134.6426	0.206	5	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CC[6a]CH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|S<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CC[6a]CH){2|C<3>,2|H<1>}	135.0620	0.000	1	134.6426	0.206	5	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CC[6a]CH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|S<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CC[6a]CH){2|C<3>,2|H<1>}	134.9145	0.172	2	134.6426	0.206	5	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Se)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Se<2>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Se)(CCHH){2|C<3>,2|H<1>}	133.6270	0.000	1	133.6270	0.000	1	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|I<1>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH){2|C<3>,2|H<1>}	133.3990	0.000	1	133.3990	0.000	1	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHP)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|I<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHP){1|C<4>,1|H<1>,2|C<3>}	134.4490	0.000	1	134.4490	0.000	1	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){2|H<1>,4|C<3>}	133.9960	0.000	1	133.9960	0.000	1	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){2|C<3>,2|H<1>}	133.7195	0.415	2	133.7195	0.172	2	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	133.6698	1.424	5	133.6698	2.028	5	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]N[5a])(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]N[5a])(CCHH){2|C<3>,2|H<1>,3|C<4>}	132.4300	0.000	1	133.0680	0.814	2	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]N[5a])(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]N[5a])(CCHH){2|C<3>,2|H<1>,3|C<4>}	133.7060	0.000	1	133.0680	0.814	2	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]CH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]CH){2|H<1>,4|C<3>}	134.8380	0.000	1	134.8380	0.000	1	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|C<4>,1|H<1>,4|C<3>}	132.8654	0.286	12	132.8654	0.082	12	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH){2|C<3>,2|H<1>}	133.9400	0.000	1	133.9400	0.000	1	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	133.6903	0.268	6	132.4577	1.171	21	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,3|C<3>}	131.9646	0.857	15	132.4577	1.171	21	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){2|C<3>,2|H<1>}	133.1530	0.000	1	132.8043	0.585	3	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){2|C<3>,2|H<1>}	131.9270	0.000	1	132.8043	0.585	3	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){2|C<3>,2|H<1>}	133.3330	0.000	1	132.8043	0.585	3	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC3){1|C<4>,1|H<1>,2|C<3>}	134.6190	0.000	1	134.6190	0.000	1	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCO){1|C<4>,1|H<1>,2|C<3>}	134.6540	0.000	1	134.2280	0.363	2	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCO){2|C<3>,2|H<1>}	133.8020	0.000	1	134.2280	0.363	2	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	132.7675	0.265	2	132.8752	0.730	29	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,1|N<2>,2|C<3>}	132.3350	0.000	1	132.8752	0.730	29	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,1|S<4>,2|C<3>}	131.0040	0.000	1	132.8752	0.730	29	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){2|C<3>,2|H<1>}	133.1791	0.576	22	132.8752	0.730	29	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,3|C<3>}	131.5220	1.011	3	132.8752	0.730	29	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH){1|C<4>,1|H<1>,2|C<3>}	133.2155	0.788	2	133.2155	0.622	2	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]2H){2|C<3>,2|H<1>}	132.8190	0.000	1	132.8190	0.000	1	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CH){2|C<3>,2|H<1>}	134.2920	0.000	1	134.2920	0.000	1	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH){2|C<3>,2|H<1>}	133.0120	0.000	1	133.0760	0.008	2	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH){1|H<1>,3|C<3>}	133.1400	0.000	1	133.0760	0.008	2	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|H<1>,1|S<4>,2|C<3>}	131.0360	0.000	1	131.0360	0.000	1	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN[5a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN[5a]HH){2|C<3>,2|H<1>}	133.4560	0.406	2	133.4560	0.165	2	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]S)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	133.3450	0.000	1	133.3450	0.000	1	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(CCHH){1|H<1>,2|C<3>}	135.0595	0.309	2	135.0595	0.095	2	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CC[5]HH)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CC[5]HH){1|H<1>,2|C<3>}	134.5800	0.000	1	134.5800	0.000	1	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CF3)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CF3){1|H<1>,2|C<3>}	136.2370	0.000	1	136.2370	0.000	1	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CH3){1|H<1>,2|C<3>}	134.9772	0.241	4	134.9743	0.147	10	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CH3){1|H<1>,2|C<3>}	134.9723	0.478	6	134.9743	0.147	10	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CP[6]HH)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CP[6]HH){1|H<1>,2|C<3>}	135.9100	0.000	1	135.9100	0.000	1	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[5])(CCHH)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[5])(CCHH){1|H<1>,2|C<4>,3|C<3>}	134.8360	0.211	2	134.8360	0.044	2	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(CB[5]2H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(CB[5]2H){1|H<1>,2|C<3>}	135.0770	0.000	1	135.0770	0.000	1	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(CCCH)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(CCCH){1|H<1>,2|C<3>}	135.8220	0.000	1	135.8220	0.000	1	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(CCHH){1|H<1>,2|C<3>}	135.7170	0.096	2	135.7170	0.009	2	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CCHO)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CCHO){1|H<1>,2|C<3>}	135.8650	0.000	1	135.8650	0.000	1	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(CCHH){1|H<1>,2|C<3>}	134.9180	0.000	1	134.9180	0.000	1	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(CHHO)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(CHHO){1|H<1>,4|C<3>}	129.0800	0.000	2	129.0800	0.000	2	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(CBrHH)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(CBrHH){1|H<1>,2|C<3>}	129.5250	0.000	1	129.5250	0.000	1	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(CC[6a]HH){1|H<1>,4|C<3>}	128.6810	0.000	1	128.6810	0.000	1	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CCHH)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CCHH){1|H<1>,2|C<3>}	128.9800	0.000	1	128.9800	0.000	1	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[5])(CCHO)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[5])(CCHO){1|C<4>,1|H<1>,3|C<3>}	130.5100	0.000	1	130.5100	0.000	1	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[5])(CH3)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[5])(CH3){1|C<4>,1|H<1>,3|C<3>}	129.2590	0.000	1	129.2590	0.000	1	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(CCCH)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(CCCH){1|H<1>,2|C<3>}	129.9730	0.000	1	129.9730	0.000	1	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(CCHH){1|H<1>,2|C<3>}	129.7155	0.423	4	129.7155	0.179	4	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(CC[6a]HH){1|H<1>,2|C<3>}	128.2310	0.000	1	128.2310	0.000	1	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(CN[5]CH)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(CN[5]CH){1|H<1>,2|C<3>}	129.7090	0.438	2	129.7090	0.192	2	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){1|N<2>,2|H<1>,3|C<3>}	136.5360	0.489	2	136.5360	0.239	2	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|C<3>,1|N<2>,2|H<1>}	136.9275	0.405	2	136.9275	0.164	2	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]HH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]HH){1|C<3>,1|N<2>,2|H<1>}	136.2330	0.000	1	136.2330	0.000	1	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CCHH)	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CCHH){1|H<1>,1|N<2>,3|C<3>}	137.3290	0.000	1	137.3290	0.000	1	133.6528	1.518	834	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[4]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[4])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[4]C[4]2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[4])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[4]C[4]2H){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	132.4760	0.000	1	132.4760	0.000	1	132.4760	0.000	1	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H){4|H<1>,6|C<3>}	134.5410	0.000	1	134.0180	0.547	2	134.3968	0.898	41	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|C<4>,3|H<1>,5|C<3>}	133.4950	0.000	1	134.0180	0.547	2	134.3968	0.898	41	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<2>,1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H){2|C<3>,3|C<4>,5|H<1>}	133.8870	0.000	1	133.8870	0.000	1	134.3968	0.898	41	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[5,6a]2C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[5,6a]2C){1|C<4>,1|H<1>,8|C<3>}	135.2420	0.000	1	135.2420	0.000	1	134.3968	0.898	41	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[5]2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[5]2H){5|H<1>,6|C<3>}	134.8300	0.000	1	134.9865	0.049	2	134.3968	0.898	41	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[5]2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[5]2H){1|C<4>,1|N<2>,1|N<3>,3|H<1>,6|C<3>}	135.1430	0.000	1	134.9865	0.049	2	134.3968	0.898	41	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2C){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	137.3770	0.000	1	137.3770	0.000	1	134.3968	0.898	41	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	135.2300	0.000	1	133.4236	1.860	5	134.3968	0.898	41	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|F<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	134.5450	0.000	1	133.4236	1.860	5	134.3968	0.898	41	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2H){1|C<4>,1|O<1>,1|O<2>,1|S<4>,2|C<3>,3|H<1>}	132.3565	0.101	2	133.4236	1.860	5	134.3968	0.898	41	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2H){1|C<4>,1|O<1>,1|O<2>,1|S<4>,2|C<3>,3|H<1>}	132.6300	0.000	1	133.4236	1.860	5	134.3968	0.898	41	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(C[5]C[5]N[5]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<4>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(C[5]C[5]N[5]H){3|C<3>,4|H<1>,6|C<4>}	133.9580	0.011	2	133.6250	0.333	3	134.3968	0.898	41	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(C[5]C[5]N[5]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|N<4>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(C[5]C[5]N[5]H){3|H<1>,4|C<3>,6|C<4>}	132.9590	0.000	1	133.6250	0.333	3	134.3968	0.898	41	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2C){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	135.0665	0.077	2	134.8938	0.135	6	134.3968	0.898	41	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2C){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	134.5390	0.000	1	134.8938	0.135	6	134.3968	0.898	41	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2C){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	135.1060	0.000	1	134.8938	0.135	6	134.3968	0.898	41	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2C){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	135.2510	0.000	1	134.8938	0.135	6	134.3968	0.898	41	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2C){2|H<1>,2|O<1>,4|C<3>}	134.3340	0.000	1	134.8938	0.135	6	134.3968	0.898	41	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|C<4>,4|C<3>,5|H<1>}	133.8480	0.000	1	134.4714	0.395	16	134.3968	0.898	41	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H){4|H<1>,6|C<3>}	135.7340	0.000	1	134.4714	0.395	16	134.3968	0.898	41	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	134.1965	0.101	2	134.4714	0.395	16	134.3968	0.898	41	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	135.2387	0.581	3	134.4714	0.395	16	134.3968	0.898	41	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|C<4>,3|H<1>,5|C<3>}	134.3750	0.000	1	134.4714	0.395	16	134.3968	0.898	41	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H){3|H<1>,6|C<3>}	134.1793	0.238	3	134.4714	0.395	16	134.3968	0.898	41	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H){4|H<1>,5|C<3>}	134.0080	0.000	1	134.4714	0.395	16	134.3968	0.898	41	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	133.6140	0.000	1	134.4714	0.395	16	134.3968	0.898	41	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	134.5320	0.000	1	134.4714	0.395	16	134.3968	0.898	41	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	134.3920	0.000	2	134.4714	0.395	16	134.3968	0.898	41	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|I<1>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H){2|C<4>,3|C<3>,5|H<1>}	133.8340	0.000	1	133.8340	0.000	1	134.3968	0.898	41	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	133.4980	0.000	1	133.4980	0.000	1	134.3968	0.898	41	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(C[5]C[5]2H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(C[5]C[5]2H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	134.7620	0.554	2	134.7620	0.307	2	134.3968	0.898	41	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	134.1670	0.000	1	133.9145	0.128	2	133.9830	1.189	28	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	133.6620	0.000	1	133.9145	0.128	2	133.9830	1.189	28	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2O){1|O<2>,1|S<4>,2|H<1>,3|C<3>,3|C<4>}	133.4175	0.431	2	133.4175	0.185	2	133.9830	1.189	28	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){2|C<3>,2|C<4>,6|H<1>}	134.6940	0.000	1	134.6940	0.000	1	133.9830	1.189	28	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6]C[6]2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6]C[6]2H){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	134.1150	0.000	1	134.2805	0.684	4	133.9830	1.189	28	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6]C[6]2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6]C[6]2H){1|C<4>,4|H<1>,6|C<3>}	134.0540	0.000	1	134.2805	0.684	4	133.9830	1.189	28	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6]C[6]2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6]C[6]2H){1|C<4>,2|O<2>,4|H<1>,5|C<3>}	133.5030	0.000	1	134.2805	0.684	4	133.9830	1.189	28	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6]C[6]2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6]C[6]2H){3|C<4>,4|C<3>,5|H<1>}	135.4500	0.000	1	134.2805	0.684	4	133.9830	1.189	28	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6]C[6]2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6]C[6]2H){2|C<3>,2|C<4>,6|H<1>}	135.0920	0.000	1	134.6075	0.469	2	133.9830	1.189	28	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6]C[6]2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6]C[6]2H){2|C<4>,3|C<3>,4|H<1>}	134.1230	0.000	1	134.6075	0.469	2	133.9830	1.189	28	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){1|O<2>,1|S<4>,2|C<3>,3|C<4>,3|H<1>}	132.5060	0.000	1	134.1506	0.782	14	133.9830	1.189	28	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	133.6500	0.000	1	134.1506	0.782	14	133.9830	1.189	28	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){1|N<4>,2|C<4>,3|C<3>,4|H<1>}	134.2780	0.000	1	134.1506	0.782	14	133.9830	1.189	28	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){2|C<3>,2|C<4>,6|H<1>}	133.5300	0.000	1	134.1506	0.782	14	133.9830	1.189	28	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){1|O<2>,1|S<4>,3|H<1>,4|C<3>}	132.7180	0.000	1	134.1506	0.782	14	133.9830	1.189	28	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	134.3670	0.000	1	134.1506	0.782	14	133.9830	1.189	28	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	134.2260	0.000	2	134.1506	0.782	14	133.9830	1.189	28	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	134.9920	0.000	1	134.1506	0.782	14	133.9830	1.189	28	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	134.5240	0.000	1	134.1506	0.782	14	133.9830	1.189	28	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){2|C<4>,3|H<1>,4|C<3>}	134.0240	0.174	2	134.1506	0.782	14	133.9830	1.189	28	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){3|C<3>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){2|H<1>,6|C<3>}	135.6310	0.000	1	134.1506	0.782	14	133.9830	1.189	28	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){3|C<3>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){4|C<3>,4|H<1>}	135.4130	0.000	1	134.1506	0.782	14	133.9830	1.189	28	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2C){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	133.6930	0.000	1	133.6930	0.000	1	133.9830	1.189	28	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){1|C<4>,4|C<3>,4|H<1>}	134.0850	0.000	1	134.0850	0.000	1	133.9830	1.189	28	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(C[6]C[6]2C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(C[6]C[6]2C){2|C<3>,2|C<4>,5|H<1>}	129.9410	0.000	1	129.9410	0.000	1	133.9830	1.189	28	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]P)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(PO3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]P)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<4>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(PO3){2|H<1>,4|C<3>}	134.6770	0.000	1	134.6770	0.000	1	131.9781	5.055	23	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]P)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(PC[6a]2O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]P)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<4>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(PC[6a]2O){2|C<3>,2|H<1>}	135.2300	0.000	1	135.2300	0.000	1	131.9781	5.055	23	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]P)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(PC[5]CW)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]P)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<4>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(PC[5]CW){2|C<3>,2|H<1>}	135.1780	0.000	1	135.1780	0.000	1	131.9781	5.055	23	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]P)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(PC[6a]2S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]P)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|P<4>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(PC[6a]2S){1|H<1>,5|C<3>}	132.4240	0.000	1	132.4240	0.000	1	131.9781	5.055	23	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]P)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(PC[6a]2O)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]P)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|P<4>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(PC[6a]2O){1|H<1>,2|C<3>}	135.7880	0.000	1	135.7880	0.000	1	131.9781	5.055	23	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]P)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[6])(PC[6a]2O)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]P)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|P<4>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[6])(PC[6a]2O){2|C<3>,2|C<4>,2|H<1>}	136.2210	0.218	2	136.2210	0.047	2	131.9781	5.055	23	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]P)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(PIrCC)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]P)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(PIrCC){1|H<1>,2|C<3>}	130.6354	0.369	12	130.6098	0.159	16	131.9781	5.055	23	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]P)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(PIrCC)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]P)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(PIrCC){1|H<1>,2|C<3>}	130.5330	0.538	4	130.6098	0.159	16	131.9781	5.055	23	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:P[6]-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]P[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(P[6]O[6]2O)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]P[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|P<4>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(P[6]O[6]2O){1|H<1>,2|C<3>,2|C<4>}	136.1690	0.000	1	136.1690	0.000	1	136.1690	0.000	1	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|O<2>,1|S<4>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6a]OO){1|H<1>,2|C<3>}	136.0443	0.157	3	136.0443	0.025	3	136.0021	0.860	88	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC[6a]OO){2|H<1>,4|C<3>}	135.6320	0.000	1	135.6320	0.000	1	136.0021	0.860	88	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SC[6a]OO){2|C<3>,2|H<1>}	135.3200	0.482	2	135.3200	0.233	2	136.0021	0.860	88	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SC[6a]OO){2|C<3>,2|H<1>}	135.3520	0.653	2	135.3520	0.427	2	136.0021	0.860	88	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(SC[6a]OO){2|C<3>,2|H<1>}	134.9665	0.329	2	134.9665	0.108	2	136.0021	0.860	88	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6]OO)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|O<2>,1|S<4>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6]OO){1|H<1>,2|C<3>}	135.8350	0.000	1	135.9510	0.027	2	136.0021	0.860	88	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6]OO)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|O<2>,1|S<4>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6]OO){1|H<1>,2|C<3>}	136.0670	0.000	1	135.9510	0.027	2	136.0021	0.860	88	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|O<2>,1|S<4>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6a]OO){1|H<1>,2|C<3>}	136.1070	0.303	3	136.0492	0.047	6	136.0021	0.860	88	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|O<2>,1|S<4>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6a]OO){1|H<1>,2|C<3>}	135.9913	0.125	3	136.0492	0.047	6	136.0021	0.860	88	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6]OO)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,1|S<4>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6]OO){1|H<1>,2|C<3>}	136.5770	0.195	2	136.5770	0.038	2	136.0021	0.860	88	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|O<2>,1|S<4>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6a]OO){1|H<1>,2|C<3>}	137.0700	0.000	1	136.3006	0.090	26	136.0021	0.860	88	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,1|S<4>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6a]OO){1|H<1>,2|C<3>}	136.2986	0.302	17	136.3006	0.090	26	136.0021	0.860	88	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,1|S<4>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6a]OO){1|H<1>,2|C<3>}	136.2086	0.135	8	136.3006	0.090	26	136.0021	0.860	88	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[5])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(SCOO)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[5])(H){1|O<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(SCOO){1|H<1>,4|C<3>}	136.1560	0.000	1	136.1560	0.000	1	136.0021	0.860	88	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[5])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[5])(H){1|O<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6a]OO){1|H<1>,2|C<3>}	136.4610	0.312	4	136.4610	0.097	4	136.0021	0.860	88	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[6])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(SCOO)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[6])(H){1|O<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(SCOO){1|H<1>,4|C<3>}	136.4930	0.000	1	136.4930	0.000	1	136.0021	0.860	88	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[6])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6]OO)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[6])(H){1|O<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6]OO){1|H<1>,2|C<3>}	136.3920	0.000	1	136.3920	0.000	1	136.0021	0.860	88	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[6])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[6])(H){1|O<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6a]OO){1|H<1>,2|C<3>}	136.2805	0.368	8	136.2805	0.135	8	136.0021	0.860	88	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[5]OO)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,1|S<4>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[5]OO){1|H<1>,2|C<3>}	135.5570	0.000	1	135.5570	0.000	1	136.0021	0.860	88	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6]OO)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,1|S<4>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6]OO){1|H<1>,2|C<3>}	135.8380	0.000	1	135.8380	0.000	1	136.0021	0.860	88	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,1|S<4>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6a]OO){1|H<1>,2|C<3>}	136.0033	0.257	6	135.9480	0.053	9	136.0021	0.860	88	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,1|S<4>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6a]OO){1|H<1>,2|C<3>}	135.8373	0.132	3	135.9480	0.053	9	136.0021	0.860	88	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6]OO)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|F<1>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|H<1>,1|O<2>,1|S<4>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6]OO){1|H<1>,2|C<3>}	136.2380	0.000	1	136.2380	0.000	1	136.0021	0.860	88	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|F<1>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|H<1>,1|O<2>,1|S<4>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6a]OO){1|H<1>,2|C<3>}	136.4924	0.432	5	136.4924	0.186	5	136.0021	0.860	88	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(SCOO)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|H<1>,1|I<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H){1|H<1>,1|O<2>,1|S<4>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(SCOO){1|H<1>,4|C<3>}	135.9635	0.438	2	135.9635	0.192	2	136.0021	0.860	88	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6]OO)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|I<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H){1|H<1>,1|O<2>,1|S<4>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6]OO){1|H<1>,2|C<3>}	135.7890	0.000	1	135.7890	0.000	1	136.0021	0.860	88	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|I<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H){1|H<1>,1|O<2>,1|S<4>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6a]OO){1|H<1>,2|C<3>}	136.0740	0.571	2	136.0536	0.087	5	136.0021	0.860	88	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|I<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H){1|H<1>,1|O<2>,1|S<4>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6a]OO){1|H<1>,2|C<3>}	136.0400	0.097	3	136.0536	0.087	5	136.0021	0.860	88	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(SCOO)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,1|S<4>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(SCOO){1|H<1>,2|C<3>}	130.8400	0.000	1	130.8400	0.000	1	136.0021	0.860	88	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]S)(SCOO)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,1|S<4>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]S)(SCOO){1|H<1>,2|C<3>}	130.3990	0.000	1	130.3990	0.000	1	136.0021	0.860	88	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:Si-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Si)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SiC[6a]3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Si)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SiC[6a]3){1|C<4>,1|H<1>,2|C<3>}	133.7770	0.000	1	133.7770	0.000	1	134.7540	0.732	3	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:Si-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]Si)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(SiC3)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]Si)(C[6a]C[6a]H){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(SiC3){1|H<1>,2|C<3>}	135.2425	0.182	2	135.2425	0.033	2	134.7540	0.732	3	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])(CCHH){1|C<2>,1|H<1>,4|C<3>}	132.8820	0.000	1	132.8820	0.000	1	133.6325	1.163	8	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(CCCH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(CCCH){1|H<1>,3|C<3>}	131.7280	0.000	1	131.7280	0.000	1	133.6325	1.163	8	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(CC[5a]2H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(CC[5a]2H){2|C<3>,2|H<1>}	132.9810	0.000	1	132.9810	0.000	1	133.6325	1.163	8	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|F<1>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(CCHH){1|H<1>,4|C<3>}	133.8140	0.000	1	133.8140	0.000	1	133.6325	1.163	8	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(CCHN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(CCHN){1|H<1>,2|C<3>}	134.6660	0.000	1	134.6660	0.000	1	133.6325	1.163	8	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(CH3){1|H<1>,2|C<3>}	134.0820	0.000	1	134.0820	0.000	1	133.6325	1.163	8	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]N)(CCHO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|N<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]N)(CCHO){1|H<1>,2|C<3>}	133.7910	0.000	1	133.7910	0.000	1	133.6325	1.163	8	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(CF3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(CF3){1|H<1>,4|C<3>}	135.1160	0.000	1	135.1160	0.000	1	133.6325	1.163	8	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:P-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]P)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(PO3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]P)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|P<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(PO3){1|H<1>,4|C<3>}	135.1400	0.000	1	135.1400	0.000	1	135.1400	0.000	1	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]N[6a]O){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O){1|N<3>,2|C<4>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|N<3>,1|O<1>,4|C<3>}	130.8920	0.000	1	130.8920	0.000	1	129.4845	3.673	8	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a]H)(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]N[6a]O){1|C<3>,1|N<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a]H)(O){1|C<4>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	133.7460	0.000	1	133.7460	0.000	1	129.4845	3.673	8	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[6a,6a]S[5a])(C[5a]C[5a]C)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a]H)(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CCHH)	C[5a,6a](C[5a,6a]N[6a,6a]S[5a])(C[5a]C[5a]C)(C[6a]N[6a]O){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a]H)(O){1|C<4>,1|N<3>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CCHH){1|O<1>,2|N<3>}	128.3700	0.000	1	128.3700	0.000	1	129.4845	3.673	8	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CCHH)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C)(C[6a]N[6a]O){1|C<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O){1|C<4>,1|N<2>,1|N<3>,1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CCHH){1|N<2>,1|N<3>,1|O<1>}	128.6645	0.298	2	128.6645	0.089	2	129.4845	3.673	8	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CH3)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C)(C[6a]N[6a]O){1|C<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O){1|C<4>,1|N<2>,1|N<3>,1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CH3){1|N<2>,1|N<3>,1|O<1>}	128.6630	0.000	1	128.4935	0.057	2	129.4845	3.673	8	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CH3)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C)(C[6a]N[6a]O){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O){1|C<4>,1|N<2>,1|N<3>,1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CH3){1|N<2>,1|N<3>,1|O<1>}	128.3240	0.000	1	128.4935	0.057	2	129.4845	3.673	8	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CH3)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C)(C[6a]N[6a]O){1|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CH3){1|N<2>,1|N<3>,1|O<1>}	128.5520	0.000	1	128.5520	0.000	1	129.4845	3.673	8	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]C){1|C<3>,1|O<2>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|H<1>,1|S<4>,2|C<3>}	131.1590	0.000	1	131.1590	0.000	1	131.1590	0.000	1	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]S){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|S<4>,2|C<3>,2|O<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6a]OO){1|H<1>,2|C<3>}	134.8530	0.000	1	134.8530	0.000	1	134.8530	0.000	1	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)(C[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]HH){2|C<3>,2|H<1>}	134.3530	0.000	1	134.3530	0.000	1	134.3530	0.000	1	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]C){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|H<1>,1|S<4>,2|C<3>}	133.0520	0.000	1	133.0520	0.000	1	133.8735	1.350	2	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CC[6a]HH){1|H<1>,4|C<3>}	134.6950	0.000	1	134.6950	0.000	1	133.8735	1.350	2	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(C[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Br)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(C[5a]C[5a]C){1|C<3>,1|S<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Br){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|Br<1>,1|S<4>,2|C<3>}	134.8480	0.000	1	135.8455	1.990	2	135.9847	1.410	4	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(C[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Br)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(C[5a]C[5a]C){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Br){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|Br<1>,1|H<1>,2|C<3>}	136.8430	0.000	1	135.8455	1.990	2	135.9847	1.410	4	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(C[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Br)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]CH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(C[5a]C[5a]C){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Br){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]CH){1|Br<1>,1|H<1>,2|C<3>}	137.1640	0.000	1	137.1640	0.000	1	135.9847	1.410	4	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(C[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Br)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(C[5a]C[5a]C){1|C<3>,1|S<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Br){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH){1|Br<1>,1|S<4>,2|C<3>}	135.0840	0.000	1	135.0840	0.000	1	135.9847	1.410	4	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(C[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Cl)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(C[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Cl){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|Cl<1>,1|H<1>,2|C<3>}	136.3785	0.695	2	136.3785	0.483	2	136.5348	0.867	4	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(C[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Cl)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(C[5a]C[5a]C){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Cl){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|Cl<1>,1|H<1>,2|C<3>}	136.6910	1.421	2	136.6910	2.020	2	136.5348	0.867	4	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(CH3)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){5|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(CH3){2|H<1>,4|C<3>}	134.0863	0.496	3	134.0863	0.246	3	134.2892	0.329	4	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]O[6a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(CHHO)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){1|O<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]O[6a])(H){1|C<4>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(CHHO){2|H<1>,4|C<3>}	134.8980	0.000	1	134.8980	0.000	1	134.2892	0.329	4	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	133.2860	0.000	1	133.2860	0.000	1	133.3950	2.274	14	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){1|H<1>,3|C<3>}	132.9900	0.000	1	132.9900	0.000	1	133.3950	2.274	14	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	133.9810	0.000	1	134.5370	0.364	3	133.3950	2.274	14	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,3|C<3>}	134.4510	0.000	1	134.5370	0.364	3	133.3950	2.274	14	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){2|C<3>,2|H<1>}	135.1790	0.000	1	134.5370	0.364	3	133.3950	2.274	14	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){1|H<1>,5|C<3>}	132.6130	0.562	4	132.6130	0.316	4	133.3950	2.274	14	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]CH)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]CH){1|H<1>,3|C<3>}	134.2740	0.221	2	134.2740	0.049	2	133.3950	2.274	14	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|C<4>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	130.2720	0.000	1	131.1830	1.660	2	133.3950	2.274	14	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|C<4>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH){1|H<1>,3|C<3>}	132.0940	0.000	1	131.1830	1.660	2	133.3950	2.274	14	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|H<1>,4|C<3>}	136.2770	0.000	1	136.2770	0.000	1	133.3950	2.274	14	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C-4:	C[5a,6a](N[5a,6a]Ge[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]Ge[5a]C)(CH3)	C[5a,6a](N[5a,6a]Ge[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Ge<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]Ge[5a]C)(CH3){1|Cl<1>,1|H<1>,2|C<3>}	124.2730	0.622	2	124.2730	0.387	2	124.5540	0.430	3	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C-4:	C[5a,6a](N[5a,6a]Ge[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]Ge[5a]C[6a])(CH3)	C[5a,6a](N[5a,6a]Ge[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Ge<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]Ge[5a]C[6a])(CH3){1|Cl<1>,1|H<1>,4|C<3>}	125.1160	0.000	1	125.1160	0.000	1	124.5540	0.430	3	133.7619	2.440	1153	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6]-4:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5,6]2H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5,6]2H)(N[5a]N[5a]){2|C<4>,3|H<1>,5|C<3>}	134.3210	0.013	2	134.3210	0.000	2	135.7226	0.851	8	135.8725	0.753	11	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6]-4:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]N[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]2H)(N[5a]O[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]N[5a]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|N<2>,1|O<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]2H)(N[5a]O[5a]){2|C<3>,2|C<4>,5|H<1>}	136.1898	0.379	6	136.1898	0.143	6	135.7226	0.851	8	135.8725	0.753	11	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C-4:N[5a]-2:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(CC[5a]C[6a]H)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(CC[5a]C[6a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	136.3075	0.952	2	136.3075	0.907	2	136.3075	0.907	2	135.8725	0.753	11	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:N[5a]-2:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5]C[5,6a]2O)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5]C[5,6a]2O)(N[5a]C[5a]){1|H<1>,7|C<3>}	136.2020	0.000	1	136.2020	0.000	1	136.2020	0.000	1	135.8725	0.753	11	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5,5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]B[5,5]C[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5]N[5,5]O[5]2)(C[5a]C[6a]O[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]B[5,5]C[5a])(C[6a]C[6a]H){1|N<4>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5]N[5,5]O[5]2)(C[5a]C[6a]O[5a]){1|H<1>,3|C<4>,6|C<3>}	135.7710	0.000	1	135.7710	0.000	1	135.7710	0.000	1	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[4]H)(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[4]H)(C[5a]N[5a]C){2|C<3>,2|H<1>}	135.7470	1.239	2	135.7470	1.535	2	134.5709	0.903	66	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]C)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]C)(C[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	135.4565	0.521	2	135.0643	0.177	7	134.5709	0.903	66	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]C)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]C)(C[5a]N[5a]H){2|C<3>,2|H<1>}	134.9074	0.300	5	135.0643	0.177	7	134.5709	0.903	66	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C){2|C<3>,2|H<1>}	133.5970	0.994	2	134.9874	0.677	27	134.5709	0.903	66	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	135.1830	1.018	2	134.9874	0.677	27	134.5709	0.903	66	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	133.8310	0.000	1	134.9874	0.677	27	134.5709	0.903	66	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C){1|H<1>,3|C<3>}	133.0340	0.000	1	134.9874	0.677	27	134.5709	0.903	66	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C){2|C<3>,2|H<1>}	135.2492	0.502	21	134.9874	0.677	27	134.5709	0.903	66	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	134.5242	0.452	4	134.1493	0.539	15	134.5709	0.903	66	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|S<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]H){1|H<1>,1|S<4>,2|C<3>}	132.6020	0.000	1	134.1493	0.539	15	134.5709	0.903	66	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]H){2|C<3>,2|H<1>}	134.1540	0.664	10	134.1493	0.539	15	134.5709	0.903	66	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[6a]C[3]H)(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[6a]C[3]H)(C[5a]N[5a]C){2|C<3>,2|H<1>}	133.7350	0.000	1	133.7350	0.000	1	134.5709	0.903	66	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[6a]C[5]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[6a]C[5]H)(C[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	134.4400	0.000	1	134.4400	0.000	1	134.5709	0.903	66	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[6a]C[6]H)(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[6a]C[6]H)(C[5a]N[5a]C){2|C<3>,2|H<1>}	135.4950	0.000	1	135.4950	0.000	1	134.5709	0.903	66	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]C)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]C)(C[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	135.2375	0.544	2	135.2375	0.296	2	134.5709	0.903	66	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]H){2|C<3>,2|H<1>}	133.3695	0.468	10	133.3695	0.219	10	134.5709	0.903	66	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[3]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[3])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[3]C[3]N[3]H)(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[3])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[3]C[3]N[3]H)(C[5a]N[5a]C){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	131.5430	0.000	1	131.5430	0.000	1	131.5430	0.000	1	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[4]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[4])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[4]C[4,5]C[4]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[4])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[4]C[4,5]C[4]H)(C[5a]N[5a]H){1|C<4>,1|N<3>,1|O<2>,1|S<4>,2|H<1>,3|C<3>}	132.8480	0.187	2	132.8480	0.035	2	133.8110	2.800	3	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[4]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[4])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[4]C[4,6]C[4]H)(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[4])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[4]C[4,6]C[4]H)(C[5a]N[5a]C){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	135.7370	0.000	1	135.7370	0.000	1	133.8110	2.800	3	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,6]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,6]C[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6]N[5,6]S[5]S[6])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,6]C[5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|S<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6]N[5,6]S[5]S[6])(C[5a]N[5a]H){1|H<1>,3|C<3>,4|C<4>}	135.2655	0.221	2	135.2655	0.049	2	135.2655	0.049	2	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5a]N[5a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	134.5890	0.000	1	134.5890	0.000	1	134.4859	1.736	107	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]N)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]N)(C[5a]N[5a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	134.5965	1.012	2	134.5965	1.024	2	134.4859	1.736	107	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]C)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]C)(C[5a]N[5a]H){1|O<1>,3|H<1>,4|C<3>}	133.7560	0.000	1	133.7560	0.000	1	134.4859	1.736	107	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]N[5a]H){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	133.8910	0.000	1	133.8910	0.000	1	134.4859	1.736	107	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]N[5,5a]C[5]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]N[5,5a]C[5]H)(C[5a]N[5a]H){2|C<4>,2|H<1>,5|C<3>}	132.0840	1.083	2	132.0840	1.174	2	134.4859	1.736	107	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]N[5]O[5]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|Br<1>,1|Si<4>,1|C<3>,1|N<3>,1|O<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]N[5]O[5]H)(C[5a]N[5a]H){1|Si<4>,1|H<1>,1|S<4>,2|C<3>,2|C<4>}	133.4190	0.000	1	133.4190	0.000	1	134.4859	1.736	107	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5a]C[5]N[5])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5a]C[5]N[5])(C[5a]N[5a]H){1|O<1>,3|H<1>,6|C<3>}	134.8040	0.042	2	134.8040	0.002	2	134.4859	1.736	107	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|F<1>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|C<4>,2|H<1>,5|C<3>}	133.6850	0.000	1	133.6850	0.000	1	134.4859	1.736	107	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[5a]N[5a]H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	134.0530	0.310	2	134.0062	0.037	4	134.4859	1.736	107	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[5a]N[5a]H){2|C<4>,2|H<1>,2|N<3>,4|C<3>}	133.9595	0.073	2	134.0062	0.037	4	134.4859	1.736	107	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5]N[5]C)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5]N[5]C)(C[5a]N[5a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	134.2550	0.000	2	134.2550	0.000	2	134.4859	1.736	107	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5a]C[5]C)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5a]C[5]C)(C[5a]N[5a]H){1|C<4>,1|N<3>,1|S<4>,3|C<3>,3|H<1>}	133.6780	0.000	1	133.9560	0.291	4	134.4859	1.736	107	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5a]C[5]C)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5a]C[5]C)(C[5a]N[5a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	133.7370	0.433	2	133.9560	0.291	4	134.4859	1.736	107	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5a]C[5]C)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5a]C[5]C)(C[5a]N[5a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	134.6720	0.000	1	133.9560	0.291	4	134.4859	1.736	107	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5a]C[5]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5a]C[5]H)(C[5a]N[5a]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	134.6020	0.000	1	134.6020	0.000	1	134.4859	1.736	107	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6]C[5]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6]C[5]H)(C[5a]N[5a]H){1|C<2>,1|O<2>,1|S<4>,2|C<3>,2|C<4>,3|H<1>}	132.2280	0.000	1	132.2280	0.000	1	134.4859	1.736	107	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6]N[5]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6]N[5]H)(C[5a]N[5a]H){1|H<1>,1|S<4>,2|C<3>,2|O<2>,3|C<4>}	134.3900	0.000	1	134.3900	0.000	1	134.4859	1.736	107	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6]O[5]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6]O[5]H)(C[5a]N[5a]H){2|C<4>,3|C<3>,3|H<1>}	134.2890	0.000	1	134.2890	0.000	1	134.4859	1.736	107	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]2H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|S<4>,3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]2H)(C[5a]N[5a]H){1|H<1>,1|S<4>,6|C<3>}	133.9750	0.000	1	133.9750	0.000	1	134.4859	1.736	107	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]2O)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]2O)(C[5a]N[5a]H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	135.2530	0.000	1	135.2530	0.000	1	134.4859	1.736	107	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]2)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]2)(C[5a]N[5a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,6|C<3>}	134.8840	0.000	1	134.8840	0.000	1	134.4859	1.736	107	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5a]N[5a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	134.9290	0.794	4	135.0323	0.462	11	134.4859	1.736	107	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5a]N[5a]H){1|N<3>,2|H<1>,5|C<3>}	134.5060	0.000	1	135.0323	0.462	11	134.4859	1.736	107	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5a]N[5a]H){1|N<3>,3|H<1>,5|C<3>}	135.3885	0.637	2	135.0323	0.462	11	134.4859	1.736	107	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5a]N[5a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	135.0890	0.762	4	135.0323	0.462	11	134.4859	1.736	107	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C[6])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C[6])(C[5a]N[5a]H){1|N<3>,1|O<1>,1|S<2>,3|H<1>,5|C<3>}	136.0848	0.400	5	135.6507	0.907	7	134.4859	1.736	107	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C[6])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C[6])(C[5a]N[5a]H){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	134.5655	1.227	2	135.6507	0.907	7	134.4859	1.736	107	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5a]N[5a]H){1|C<4>,2|H<1>,6|C<3>}	133.8980	0.734	2	134.0873	0.377	3	134.4859	1.736	107	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5a]N[5a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	134.4660	0.000	1	134.0873	0.377	3	134.4859	1.736	107	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5a]N[5a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	134.9005	0.457	2	134.7806	0.105	5	134.4859	1.736	107	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5a]N[5a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	134.8530	0.147	2	134.7806	0.105	5	134.4859	1.736	107	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5a]N[5a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	134.3960	0.000	1	134.7806	0.105	5	134.4859	1.736	107	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]S)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|S<2>,3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]S)(C[5a]N[5a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	135.1720	0.000	1	135.1720	0.000	1	134.4859	1.736	107	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5a]C[5])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5a]C[5])(C[5a]N[5a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,6|C<3>}	135.6260	0.252	2	135.3784	0.360	5	134.4859	1.736	107	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5a]C[5])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5a]C[5])(C[5a]N[5a]H){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	135.4825	0.859	2	135.3784	0.360	5	134.4859	1.736	107	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5a]C[5])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5a]C[5])(C[5a]N[5a]H){1|O<1>,2|H<1>,2|N<3>,5|C<3>}	134.6750	0.000	1	135.3784	0.360	5	134.4859	1.736	107	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a]C[5])(C[5a]N[5a]Br)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|Br<1>,1|S<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a]C[5])(C[5a]N[5a]Br){1|H<1>,1|N<3>,1|O<1>,1|S<4>,6|C<3>}	133.3170	0.000	1	133.3170	0.000	1	134.4859	1.736	107	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a]C[5])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|S<4>,3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a]C[5])(C[5a]N[5a]H){1|H<1>,1|S<4>,8|C<3>}	134.3670	0.000	1	134.9505	0.681	2	134.4859	1.736	107	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a]C[5])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a]C[5])(C[5a]N[5a]H){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	135.5340	0.000	1	134.9505	0.681	2	134.4859	1.736	107	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]N[5]C)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]N[5]C)(C[5a]N[5a]H){1|S<4>,3|H<1>,4|C<3>}	135.2385	0.059	2	135.2307	0.002	3	134.4859	1.736	107	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]N[5]C)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]N[5]C)(C[5a]N[5a]H){3|H<1>,5|C<3>}	135.2150	0.000	1	135.2307	0.002	3	134.4859	1.736	107	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]N[5]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]N[5]H)(C[5a]N[5a]H){3|H<1>,5|C<3>}	135.0440	0.000	1	135.0440	0.000	1	134.4859	1.736	107	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]C)(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]C)(C[5a]N[5a]C){1|O<1>,3|H<1>,4|C<3>}	134.6860	0.000	1	134.6860	0.000	1	134.4859	1.736	107	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]C)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<2>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]C)(C[5a]N[5a]H){2|C<4>,3|C<3>,4|H<1>}	134.9510	0.000	1	134.8285	0.105	4	134.4859	1.736	107	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]C)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]C)(C[5a]N[5a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	134.3820	0.000	1	134.8285	0.105	4	134.4859	1.736	107	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]C)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]C)(C[5a]N[5a]H){1|O<1>,3|H<1>,4|C<3>}	134.9905	0.221	2	134.8285	0.105	4	134.4859	1.736	107	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]N[5a]C){2|C<4>,3|C<3>,4|H<1>}	135.6570	0.000	1	133.9298	2.652	4	134.4859	1.736	107	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<4>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]N[5a]C){3|C<3>,3|C<4>,4|H<1>}	134.1675	0.086	2	133.9298	2.652	4	134.4859	1.736	107	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]N[5a]C){2|H<1>,3|C<4>,4|C<3>}	131.7270	0.000	1	133.9298	2.652	4	134.4859	1.736	107	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]N[5a]H){1|C<2>,3|H<1>,5|C<3>}	135.0290	0.000	1	134.2840	0.262	4	134.4859	1.736	107	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]N[5a]H){4|H<1>,5|C<3>}	134.1760	0.000	1	134.2840	0.262	4	134.4859	1.736	107	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]N[5a]H){2|C<4>,3|H<1>,4|C<3>}	133.9655	0.132	2	134.2840	0.262	4	134.4859	1.736	107	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|C<4>,1|O<2>,2|C<2>,2|C<3>,2|H<1>}	134.6130	0.000	1	135.0130	0.320	2	134.4859	1.736	107	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|N<2>,3|C<3>,4|H<1>}	135.4130	0.000	1	135.0130	0.320	2	134.4859	1.736	107	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5a]C[5]2)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5a]C[5]2)(C[5a]N[5a]H){1|N<3>,2|H<1>,2|O<1>,5|C<3>}	135.0325	0.589	4	135.0325	0.347	4	134.4859	1.736	107	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5a]C[5]N[5])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5a]C[5]N[5])(C[5a]N[5a]C){1|O<1>,2|H<1>,7|C<3>}	136.6305	0.800	2	136.6305	0.640	2	134.4859	1.736	107	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5a]C[5]N[5])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5a]C[5]N[5])(C[5a]N[5a]H){1|O<1>,3|H<1>,6|C<3>}	135.3545	0.227	2	135.3545	0.052	2	134.4859	1.736	107	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[6a]C[5]N[5])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[6a]C[5]N[5])(C[5a]C[6a]N[5a]){1|H<1>,1|O<1>,2|C<4>,8|C<3>}	135.3150	0.000	1	135.0567	0.186	3	134.4859	1.736	107	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[6a]C[5]N[5])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[6a]C[5]N[5])(C[5a]C[6a]N[5a]){1|O<1>,3|H<1>,8|C<3>}	134.9275	0.521	2	135.0567	0.186	3	134.4859	1.736	107	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[6a]C[5]N[5])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[6a]C[5]N[5])(C[5a]N[5a]H){1|N<3>,1|O<1>,1|S<4>,3|H<1>,4|C<3>}	134.7980	0.000	1	134.7980	0.000	1	134.4859	1.736	107	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]N[5,5a]C[5]H)(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]N[5,5a]C[5]H)(C[5a]N[5a]C){1|C<4>,3|H<1>,5|C<3>}	135.2460	0.000	1	135.2460	0.000	1	134.4859	1.736	107	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]N[5,5a]C[5]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]N[5,5a]C[5]H)(C[5a]N[5a]H){1|C<2>,2|C<4>,2|H<1>,4|C<3>}	134.9875	0.035	2	134.8068	0.039	5	134.4859	1.736	107	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]N[5,5a]C[5]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]N[5,5a]C[5]H)(C[5a]N[5a]H){2|C<4>,2|H<1>,5|C<3>}	134.6863	0.150	3	134.8068	0.039	5	134.4859	1.736	107	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]N[5]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]N[5]H)(C[5a]N[5a]H){2|H<1>,6|C<3>}	134.5370	0.000	1	134.5370	0.000	1	134.4859	1.736	107	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5a]O[5a]H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5a]O[5a]H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	135.0130	0.000	1	135.0130	0.000	1	134.4859	1.736	107	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]2Fe)(C[5a]S[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|Fe<10>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]2Fe)(C[5a]S[5a]C){2|C<3>,2|C<4>,3|H<1>}	130.6640	0.000	1	130.6640	0.000	1	134.4859	1.736	107	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]2Fe)(C[5a]S[5a]H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|Fe<10>,1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]2Fe)(C[5a]S[5a]H){2|C<3>,2|C<4>,3|H<1>}	129.8270	0.454	2	130.1110	0.345	3	134.4859	1.736	107	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]2Fe)(C[5a]S[5a]H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|Fe<10>,1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]2Fe)(C[5a]S[5a]H){2|C<3>,2|C<4>,3|H<1>}	130.6790	0.000	1	130.1110	0.345	3	134.4859	1.736	107	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]S[5a]H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]S[5a]H){2|C<4>,2|H<1>,3|C<3>}	129.8350	0.000	1	129.8350	0.000	1	134.4859	1.736	107	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6,6]C[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[3x6]C[6,6]C)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6,6]C[5a])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[3x6]C[6,6]C)(C[5a]N[5a]H){1|C<4>,4|H<1>,5|C<3>}	133.1275	0.231	2	133.1275	0.053	2	133.1673	0.031	3	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6,6]C[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[3x6]C[6,6]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6,6]C[5a])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[3x6]C[6,6]H)(C[5a]N[5a]H){1|S<4>,2|C<4>,3|H<1>,4|C<3>}	133.2470	0.000	1	133.2470	0.000	1	133.1673	0.031	3	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6]C[6]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|Br<1>,3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6]C[6]H)(C[5a]N[5a]H){2|H<1>,6|C<3>}	134.8415	0.028	2	134.8415	0.001	2	134.4137	0.912	40	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6]H)(C[5a]N[5a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	135.0130	0.000	1	135.0130	0.000	1	134.4137	0.912	40	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]S[6]C)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|Cl<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]S[6]C)(C[5a]N[5a]H){1|C<4>,2|H<1>,5|C<3>}	133.5950	0.158	2	133.5950	0.025	2	134.4137	0.912	40	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5,6]C[6]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5,6]C[6]H)(C[5a]N[5a]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	135.6520	0.000	1	134.6550	1.988	2	134.4137	0.912	40	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5,6]C[6]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5,6]C[6]H)(C[5a]N[5a]H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	133.6580	0.000	1	134.6550	1.988	2	134.4137	0.912	40	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5,6]N[6]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|S<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5,6]N[6]H)(C[5a]N[5a]H){1|S<4>,2|C<4>,3|C<3>,3|H<1>}	132.9025	0.443	2	132.9025	0.197	2	134.4137	0.912	40	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]C[6]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]C[6]H)(C[5a]N[5a]H){1|C<4>,4|C<3>,4|H<1>}	133.8565	0.138	2	133.8565	0.019	2	134.4137	0.912	40	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]N[6]C)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]N[6]C)(C[5a]N[5a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	136.1640	0.000	1	136.1640	0.000	1	134.4137	0.912	40	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6]C[6]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6]C[6]H)(C[5a]N[5a]H){1|C<4>,1|H<1>,6|C<3>}	134.9640	0.000	1	134.9640	0.000	1	134.4137	0.912	40	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6,6]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6,6]H)(C[5a]N[5a]H){1|C<4>,1|H<1>,6|C<3>}	135.1270	0.000	1	135.1270	0.000	1	134.4137	0.912	40	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6]C)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6]C)(C[5a]N[5a]H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	133.1920	0.000	1	133.1920	0.000	1	134.4137	0.912	40	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[5a]N[5a]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	134.9980	0.737	2	135.0018	0.876	5	134.4137	0.912	40	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[5a]N[5a]H){1|C<4>,4|C<3>,4|H<1>}	136.2680	0.000	1	135.0018	0.876	5	134.4137	0.912	40	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[5a]N[5a]H){2|C<4>,3|H<1>,4|C<3>}	133.8410	0.000	1	135.0018	0.876	5	134.4137	0.912	40	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){3|C<3>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[5a]N[5a]H){1|C<2>,2|H<1>,5|C<3>}	134.9040	0.000	1	135.0018	0.876	5	134.4137	0.912	40	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]N[5a]H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	134.3670	0.000	1	134.4840	0.063	5	134.4137	0.912	40	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]N[5a]H){1|C<4>,1|H<1>,6|C<3>}	134.7240	0.000	1	134.4840	0.063	5	134.4137	0.912	40	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]N[5a]H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	134.3280	0.308	2	134.4840	0.063	5	134.4137	0.912	40	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]N[5a]H){1|C<4>,2|H<1>,5|C<3>}	134.6730	0.000	1	134.4840	0.063	5	134.4137	0.912	40	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6]C)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6]C)(C[5a]N[5a]H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	135.4100	0.000	1	135.4100	0.000	1	134.4137	0.912	40	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6]H)(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6]H)(C[5a]N[5a]C){1|O<2>,1|S<4>,2|C<3>,2|C<4>,3|H<1>}	134.2250	0.000	1	134.1310	0.018	2	134.4137	0.912	40	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6]H)(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6]H)(C[5a]N[5a]C){1|H<1>,3|C<4>,4|C<3>}	134.0370	0.000	1	134.1310	0.018	2	134.4137	0.912	40	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6]H)(C[5a]N[5a]H){2|C<4>,3|C<3>,4|H<1>}	134.6300	0.000	1	134.6992	1.292	6	134.4137	0.912	40	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6]H)(C[5a]N[5a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	133.8380	0.000	1	134.6992	1.292	6	134.4137	0.912	40	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6]H)(C[5a]N[5a]H){1|C<4>,3|H<1>,5|C<3>}	132.9190	0.000	1	134.6992	1.292	6	134.4137	0.912	40	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6]H)(C[5a]N[5a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	135.6027	0.217	3	134.6992	1.292	6	134.4137	0.912	40	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O[6]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O[6]H)(C[5a]N[5a]H){1|C<4>,3|H<1>,4|C<3>}	133.1000	0.000	1	133.9043	2.263	3	134.4137	0.912	40	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O[6]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O[6]H)(C[5a]N[5a]H){1|C<4>,3|H<1>,4|C<3>}	132.9730	0.000	1	133.9043	2.263	3	134.4137	0.912	40	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O[6]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O[6]H)(C[5a]N[5a]H){1|N<2>,2|H<1>,4|C<3>}	135.6400	0.000	1	133.9043	2.263	3	134.4137	0.912	40	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]N[5a,6]O[6]C)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,1|S<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]N[5a,6]O[6]C)(C[5a]N[5a]H){1|H<1>,1|S<4>,5|C<3>}	133.6495	0.620	2	133.6495	0.385	2	134.4137	0.912	40	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){2|C<3>,2|N<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]N[5a]H){2|H<1>,6|C<3>}	134.0790	0.000	1	134.0790	0.000	1	134.4137	0.912	40	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:Si-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Si)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(SiC[5a]C[6a]2)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Si)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(SiC[5a]C[6a]2)(C[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	133.8655	0.231	2	133.8655	0.053	2	133.7910	0.129	6	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:Si-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Si)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(SiC[5a]C[6a]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Si)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(SiC[5a]C[6a]H)(C[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	133.7537	0.438	4	133.7537	0.192	4	133.7910	0.129	6	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-4:B-3:	C[5a,6a](N[5a,6a]B[5,5a]C[6a])(C[5a]N[5a]B)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]B[5,5a]C[6a]H)(BC[6a]2)	C[5a,6a](N[5a,6a]B[5,5a]C[6a])(C[5a]N[5a]B)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|O<2>,3|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]H)(H){1|B<3>,1|B<4>,1|C<3>,1|N<4>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]B[5,5a]C[6a]H)(BC[6a]2){1|H<1>,2|O<2>,4|C<3>}	130.0080	0.000	1	130.0080	0.000	1	130.0080	0.000	1	134.4337	1.423	230	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	4:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,5]C[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5,5]C[5,6a]C[5,5]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,5]C[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5,5]C[5,6a]C[5,5]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){2|N<3>,4|H<1>,5|C<3>}	134.1340	0.000	1	134.3534	0.475	5	134.3534	0.475	5	134.6626	0.385	9	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	4:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,5]C[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5,5]C[5,6a]C[5,5]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,5]C[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5,5]C[5,6a]C[5,5]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|O<2>,2|N<3>,4|C<3>,4|H<1>}	135.0320	0.371	2	134.3534	0.475	5	134.3534	0.475	5	134.6626	0.385	9	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	4:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,5]C[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5,5]C[5,6a]C[5,5]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,5]C[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5,5]C[5,6a]C[5,5]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,2|N<3>,4|C<3>,5|H<1>}	134.0550	0.000	1	134.3534	0.475	5	134.3534	0.475	5	134.6626	0.385	9	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	4:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,5]C[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5,5]C[5,6a]C[5,5]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,5]C[5a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5,5]C[5,6a]C[5,5]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|O<2>,2|N<3>,3|H<1>,5|C<3>}	133.5140	0.000	1	134.3534	0.475	5	134.3534	0.475	5	134.6626	0.385	9	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	4:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,6]C[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](C[5,6]C[5,6a]C[6,6a]N[5,6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,6]C[5a])(C[6a]C[6a]H){1|Br<1>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5,6]C[5,6a]C[6,6a]N[5,6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,2|H<1>,7|C<3>}	134.9520	0.000	1	134.9520	0.000	1	135.0490	0.034	4	134.6626	0.385	9	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	4:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,6]C[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5,6]C[5,6a]C[5,6]C[6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,6]C[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5,6]C[5,6a]C[5,6]C[6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<2>,1|N<3>,4|C<3>,4|H<1>}	135.1700	0.000	1	135.0045	0.055	2	135.0490	0.034	4	134.6626	0.385	9	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	4:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,6]C[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5,6]C[5,6a]C[5,6]C[6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,6]C[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5,6]C[5,6a]C[5,6]C[6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,2|N<3>,4|C<3>,5|H<1>}	134.8390	0.000	1	135.0045	0.055	2	135.0490	0.034	4	134.6626	0.385	9	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	4:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,6]C[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5,6]C[5,6a]C[5a,6]N[5,6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,6]C[5a])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>}	C[5a](C[5,6]C[5,6a]C[5a,6]N[5,6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	135.2350	0.000	1	135.2350	0.000	1	135.0490	0.034	4	134.6626	0.385	9	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	5:3:3:	C[5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[3x3,4,3x5,14x6]-5:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a]C[3x3,4,3x5,14x6]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a]C[3x3,4,3x5,14x6]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|O<2>,2|H<1>,4|B<6>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<5>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|Si<4>,1|C<5>,2|C<3>,5|B<6>,5|H<1>}	134.5670	0.000	1	134.5670	0.000	1	134.5670	0.000	1	134.5670	0.000	1	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:N[5a]-2:Cl-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(OC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(OC){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(Cl){1|C<4>,1|O<2>,2|C<3>}	136.4110	0.262	2	136.4110	0.068	2	136.4110	0.068	2	135.2474	5.706	8	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(OH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]O){2|Br<1>,1|C<3>,1|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(OH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|C<4>,1|O<2>,2|C<3>}	132.9190	0.337	2	132.9190	0.113	2	132.9190	0.113	2	135.2474	5.706	8	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:O[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]O[5a]H)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]O[5a]H)(C[6a]C[6a]O){1|C<3>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(H){1|H<1>,1|O<2>,2|C<3>}	134.0305	0.155	2	134.0305	0.024	2	134.0305	0.024	2	135.2474	5.706	8	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a]N[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]O[5a])(N[6a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a]N[6a])(C[5a]N[5a]H){1|C<4>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]O[5a])(N[6a]C[6a]){1|N<3>,2|C<3>,2|N<2>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|C<3>,1|C<4>,2|N<2>}	140.0660	0.000	1	140.0660	0.000	1	140.0660	0.000	1	135.2474	5.706	8	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[6a]N[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[6a]N[6a]){1|N<2>,1|N<3>,3|C<3>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|C<4>,1|N<2>,2|C<3>}	135.1920	0.000	1	135.1920	0.000	1	135.1920	0.000	1	135.2474	5.706	8	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:2:2:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:S[5a]-2:N-2:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]N)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(S[5a]C[5a,6a])(NC)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]N)(C[6a]C[6a]O){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(S[5a]C[5a,6a])(NC){1|O<2>,3|C<3>}	128.9525	2.994	4	128.9525	8.963	4	128.9525	8.963	4	131.3670	19.468	6	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:2:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:N[5a]-2:N-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(NS)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]O){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(NS){1|C<4>,1|O<2>,2|C<3>}	135.6990	0.000	1	135.6990	0.000	1	135.6990	0.000	1	131.3670	19.468	6	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:2:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:O-2:	C[5a,6a]-3:N[5a]-2:O-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6,6a]O)(C[5a]N[5a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(OC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]O[5a])(OC)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6,6a]O)(C[5a]N[5a]O){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(OC){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|O<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]O[5a])(OC){1|O<2>,2|C<3>}	136.6930	0.000	1	136.6930	0.000	1	136.6930	0.000	1	131.3670	19.468	6	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:N[5a]-2:N-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(NHS)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]O){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(NHS){1|C<4>,1|O<2>,2|C<3>}	135.1950	0.000	1	135.1950	0.000	1	135.1950	0.000	1	135.1950	0.000	1	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(OC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]O){1|C<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(OC){1|C<4>,1|H<1>,1|N<3>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC3){1|N<2>,1|O<2>,2|C<3>}	139.1130	0.000	1	139.1130	0.000	1	139.1130	0.000	1	139.1130	0.000	1	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[5a])(CC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[5a,6a]C){1|C<2>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[5a])(CC){1|H<1>,1|N<3>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H){1|C<2>,1|H<1>,4|C<3>}	130.9040	0.000	1	130.9040	0.000	1	130.9925	0.192	4	133.9367	13.901	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[5a])(CC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[5a,6a]C){1|C<2>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[5a])(CC){1|H<1>,1|N<3>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H){1|C<2>,1|H<1>,4|C<3>}	131.0220	0.532	3	131.0220	0.283	3	130.9925	0.192	4	133.9367	13.901	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-2:	C[5a,6a]-3:C[5a,6a]-3:O-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2)(CC)	C[5a](C[5a,6a]C[5a,6a]C[6a])2(O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[5a,6a]C){1|C<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2)(CC){1|O<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])2(O){1|C<2>,1|H<1>,4|C<3>}	128.8250	0.000	1	128.8250	0.000	1	128.8250	0.000	1	133.9367	13.901	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CN){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|C<2>,3|C<3>}	134.4560	0.000	1	134.4560	0.000	1	133.0232	2.788	5	133.9367	13.901	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CN){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<2>,1|H<1>,2|C<3>}	135.1680	0.000	1	135.1680	0.000	1	133.0232	2.788	5	133.9367	13.901	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(CC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<2>,1|C<4>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(CC){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|C<2>,1|C<4>,2|C<3>}	131.8307	0.340	3	131.8307	0.115	3	133.0232	2.788	5	133.9367	13.901	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(H){1|O<1>,1|O<2>,4|C<3>}	132.2420	0.000	1	132.2420	0.000	1	132.2420	0.000	1	133.9367	13.901	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>}	133.3360	0.000	1	133.3360	0.000	1	133.3360	0.000	1	133.9367	13.901	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6,6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6,6a]H)(OC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(H)	C[5a,6a](C[5a,6a]C[6,6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6,6a]H)(OC){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(H){1|O<2>,2|C<3>}	135.3853	0.558	3	135.3853	0.312	3	134.8167	2.716	15	133.9367	13.901	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[5])(OH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[5])(OH){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,1|O<2>,2|C<3>}	133.6350	0.000	1	133.6350	0.000	1	134.8167	2.716	15	133.9367	13.901	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[5])(OS)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[5])(OS){2|H<1>,2|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,1|O<2>,2|C<3>}	135.8840	0.000	1	135.8840	0.000	1	134.8167	2.716	15	133.9367	13.901	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]O){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,1|O<2>,4|C<3>}	134.3340	0.000	1	134.3340	0.000	1	134.8167	2.716	15	133.9367	13.901	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|C<4>,1|O<2>,2|C<3>}	132.4815	0.175	2	132.4815	0.031	2	134.8167	2.716	15	133.9367	13.901	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(OC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]O){1|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(OC){1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(H){1|O<2>,2|C<3>}	136.8750	0.000	1	136.8750	0.000	1	134.8167	2.716	15	133.9367	13.901	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]O){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|O<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(H){1|O<2>,4|C<3>}	136.2585	0.083	2	136.2585	0.007	2	134.8167	2.716	15	133.9367	13.901	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]O){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(H){1|O<2>,2|C<3>}	134.3270	0.000	1	134.3270	0.000	1	134.8167	2.716	15	133.9367	13.901	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OS)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]O){1|C<2>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OS){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(H){1|O<2>,4|C<3>}	131.4850	0.000	1	131.4850	0.000	1	134.8167	2.716	15	133.9367	13.901	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]O){1|C<2>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	136.0370	0.007	2	136.0370	0.000	2	134.8167	2.716	15	133.9367	13.901	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(OC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(OC){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H){1|O<2>,2|C<3>}	137.1410	0.000	1	137.1410	0.000	1	137.1410	0.000	1	133.9367	13.901	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5,6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]O)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(OC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]O)(C[5a]C[5a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(OC){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(H){1|O<2>,2|C<3>}	137.0360	0.017	2	137.0360	0.000	2	137.0360	0.000	2	133.9367	13.901	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-2:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C)(C[5a]N[5a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])2(CC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C)(C[5a]N[5a]O){1|C<2>,1|C<4>,1|O<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])2(CC){2|N<3>,2|O<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(O){1|C<2>,1|O<1>,2|C<3>}	128.9433	0.439	12	128.9433	0.193	12	128.9433	0.193	12	133.9367	13.901	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]O)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(OC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]O)(C[5a]C[5a]H){1|O<2>,1|S<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(OC){1|H<1>,1|S<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H){1|O<2>,2|C<3>}	128.3520	0.000	1	128.3520	0.000	1	128.7630	0.338	2	133.9367	13.901	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]O)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(OC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]O)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|O<2>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(OC){1|H<1>,1|S<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H){1|O<2>,2|C<3>}	129.1740	0.000	1	129.1740	0.000	1	128.7630	0.338	2	133.9367	13.901	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:O-2:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]O)(C[5a]N[5a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])2(OH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6])(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]O)(C[5a]N[5a]O){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])2(OH){2|N<3>,2|O<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6])(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	129.1135	3.239	2	129.1135	10.493	2	129.1135	10.493	2	133.9367	13.901	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a]N[6a])(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]O[5a])(N[6a]N[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a]N[6a])(C[5a]C[5a]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]O[5a])(N[6a]N[6a]){3|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,1|N<2>,2|C<3>}	134.0635	0.705	2	134.0635	0.497	2	134.0635	0.497	2	133.9367	13.901	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6,6a]O)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(OH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6,6a]O)(C[5a]C[5a]H){1|C<4>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(OH){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(H){1|O<2>,2|C<3>}	136.2920	0.000	1	136.2920	0.000	1	136.2920	0.000	1	133.9367	13.901	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]O)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(OC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]O)(C[5a]C[5a]H){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(OC){2|H<1>,2|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(H){1|O<2>,2|C<3>}	137.9930	0.000	1	137.7404	0.438	5	138.6377	1.373	9	133.9367	13.901	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]O)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(OC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]O)(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(OC){1|H<1>,1|O<1>,2|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(H){1|O<2>,2|C<3>}	137.2940	0.000	1	137.7404	0.438	5	138.6377	1.373	9	133.9367	13.901	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]O)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(OC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]O)(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(OC){2|H<1>,2|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(H){1|O<2>,2|C<3>}	137.8050	0.859	3	137.7404	0.438	5	138.6377	1.373	9	133.9367	13.901	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[6a]C[6a,6a]O)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(OC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(H)	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[6a]C[6a,6a]O)(C[5a]C[5a]H){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(OC){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(H){1|C<3>,1|N<2>,1|O<2>}	139.7593	0.241	4	139.7593	0.058	4	138.6377	1.373	9	133.9367	13.901	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:Cl-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]Cl)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[6a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]Cl){1|C<4>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|Cl<1>,1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(Cl){1|C<3>,1|C<4>,2|N<2>}	139.6540	0.000	1	139.6540	0.000	1	139.6540	0.000	1	133.9367	13.901	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[6a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){1|C<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|N<3>,3|C<3>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|C<4>,2|N<2>,3|C<3>}	139.4300	0.000	1	139.4300	0.000	1	138.3213	0.546	6	133.9367	13.901	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[6a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]B[5])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){1|B<3>,1|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|N<3>,3|C<3>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]B[5])(H){1|C<3>,1|C<4>,2|N<2>,2|O<2>}	139.0420	0.000	1	139.0420	0.000	1	138.3213	0.546	6	133.9367	13.901	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[6a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){1|C<4>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|N<3>,3|C<3>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(H){1|C<3>,1|C<4>,2|N<2>}	137.8417	0.265	3	137.8417	0.070	3	138.3213	0.546	6	133.9367	13.901	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[6a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){1|C<4>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|N<3>,3|C<3>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5])(H){1|C<4>,2|N<2>,3|C<3>}	137.9310	0.000	1	137.9310	0.000	1	138.3213	0.546	6	133.9367	13.901	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[6a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O[6a])(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O[6a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O[6a])(C[5a]C[5a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O[6a]C[6a]){3|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,1|O<2>,2|C<3>}	133.5730	0.000	1	133.5730	0.000	1	133.5730	0.000	1	133.9367	13.901	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C[5])(CN)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){2|C<3>,2|C<4>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C[5])(CN){1|Fe<10>,1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|C<2>,4|C<3>}	135.9500	0.000	1	135.9500	0.000	1	135.9500	0.000	1	133.9367	13.901	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a]N[6a])(C[5a]C[5a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[5a]C[5a]S[5a])(N[6a]C[5a,6a])	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a]N[6a])(C[5a]C[5a]H){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[5a]C[5a]S[5a])(N[6a]C[5a,6a]){2|H<1>,6|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,1|N<2>,2|C<3>}	135.1730	0.134	2	135.1730	0.018	2	135.1730	0.018	2	133.9367	13.901	69	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[6a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a]){1|C<4>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<3>,2|N<2>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|H<1>,2|N<2>,3|C<3>}	140.0560	0.761	2	140.0560	0.579	2	140.0560	0.579	2	133.2056	8.025	33	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(OC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)(CN)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(OC){1|C<2>,1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)(CN){1|O<2>,2|C<3>}	129.4860	0.000	1	129.4860	0.000	1	129.4860	0.000	1	133.2056	8.025	33	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(NC[5])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]O){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(NC[5]){1|C<4>,1|O<2>,2|C<3>}	134.9600	0.000	1	134.9600	0.000	1	134.9600	0.000	1	133.2056	8.025	33	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Co)(NC[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]O){1|Co<4>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Co)(NC[5a]){1|N<2>,1|O<2>,2|C<3>}	132.3628	1.154	8	132.3628	1.331	8	132.1536	0.942	23	133.2056	8.025	33	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[5])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]O){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[5]){1|N<2>,1|O<2>,2|C<3>}	131.7055	0.121	2	131.7055	0.015	2	132.1536	0.942	23	133.2056	8.025	33	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ru)(NC[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]O){1|Ru<6>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ru)(NC[5a]){1|N<2>,1|O<2>,2|C<3>}	132.3446	0.254	7	132.3446	0.064	7	132.1536	0.942	23	133.2056	8.025	33	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[5])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]O){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[5]){1|N<2>,1|O<2>,2|C<3>}	132.6403	0.505	4	132.6403	0.255	4	132.1536	0.942	23	133.2056	8.025	33	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]O){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[6a]){1|N<2>,1|O<2>,2|C<3>}	130.1235	0.211	2	130.1235	0.045	2	132.1536	0.942	23	133.2056	8.025	33	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:S-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]S)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(SC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]S){1|C<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(SC){1|C<3>,1|C<4>,1|N<3>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<2>,1|S<2>,2|H<1>,3|C<3>}	140.9870	0.000	1	140.9870	0.000	1	140.9870	0.000	1	133.2056	8.025	33	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:S-2:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]S)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(SC[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[5])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]S){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(SC[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[5]){1|N<2>,1|S<2>,2|C<3>}	131.4845	1.402	2	131.4845	1.966	2	131.4845	1.966	2	133.2056	8.025	33	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]C)(C[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(CC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N)(CN)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]C)(C[5a]C[5a]C){1|C<2>,1|C<3>,1|N<3>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(CC){1|C<2>,1|O<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N)(CN){1|C<2>,2|C<3>}	134.7040	0.313	2	134.7040	0.098	2	134.7040	0.098	2	133.2056	8.025	33	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[6a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SC[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]S){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|N<3>,1|S<2>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SC[6a]){1|C<3>,1|C<4>,2|N<2>}	138.3290	0.000	1	138.3290	0.000	1	138.3290	0.000	1	133.2056	8.025	33	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[5a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]S[5a])(N[6a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[5a]N[6a]){1|H<1>,1|S<2>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]S[5a])(N[6a]C[6a]){1|H<1>,1|N<3>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<2>,3|H<1>,6|C<3>}	136.4520	0.000	1	136.4520	0.000	1	136.4520	0.000	1	135.8666	3.674	22	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]O)(CN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCO)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|O<2>,2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]O)(CN){1|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCO){1|C<2>,1|C<4>,2|C<3>}	133.2720	0.000	1	133.2720	0.000	1	133.2720	0.000	1	135.8666	3.674	22	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(CN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(NHH)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]C){1|Cl<1>,1|C<2>,1|C<3>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(CN){1|Cl<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(NHH){1|C<2>,2|C<3>}	133.9610	0.000	1	133.9610	0.000	1	135.3365	3.784	2	135.8666	3.674	22	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(CN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[6])(NCuC)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]C){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(CN){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[6])(NCuC){1|C<2>,1|N<3>,3|C<3>}	136.7120	0.000	1	136.7120	0.000	1	135.3365	3.784	2	135.8666	3.674	22	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[6a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,7|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<3>,2|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<2>,3|H<1>,6|C<3>}	135.1870	0.000	1	135.1870	0.000	1	135.1870	0.000	1	135.8666	3.674	22	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[6a]N[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a]){1|N<3>,1|O<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[6a]N[6a]){1|N<2>,1|N<3>,2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<2>,2|H<1>,6|C<3>}	137.6965	0.316	2	137.6965	0.100	2	137.6965	0.100	2	135.8666	3.674	22	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCO){1|H<1>,1|O<2>,2|C<3>}	137.4570	0.000	1	137.4570	0.000	1	138.0810	0.779	2	135.8666	3.674	22	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CCO)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]O){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){2|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CCO){1|O<2>,4|C<3>}	138.7050	0.000	1	138.7050	0.000	1	138.0810	0.779	2	135.8666	3.674	22	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]O){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|N<3>,1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|O<2>,3|H<1>,4|C<3>}	135.7915	0.122	2	135.7915	0.015	2	136.7150	0.682	7	135.8666	3.674	22	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]O){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){2|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(C[6a]C[6a]2){1|O<2>,2|H<1>,4|C<3>}	137.2010	0.000	1	137.2010	0.000	1	136.7150	0.682	7	135.8666	3.674	22	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]O){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N)(C[6a]C[6a]2){1|O<2>,2|H<1>,4|C<3>}	137.0660	1.080	2	137.0660	1.167	2	136.7150	0.682	7	135.8666	3.674	22	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]O){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|N<2>,1|O<2>,3|C<3>,3|H<1>}	137.0445	0.712	2	137.0445	0.507	2	136.7150	0.682	7	135.8666	3.674	22	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]O){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,1|O<2>,5|C<3>}	134.8470	0.000	1	134.8470	0.000	1	134.8470	0.000	1	135.8666	3.674	22	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:Se-2:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Se)(C[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(SeC[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Se)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(SeC[6a]){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCO){1|Se<2>,1|C<4>,2|C<3>}	134.6470	1.006	2	134.6470	1.011	2	134.6470	1.011	2	135.8666	3.674	22	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(OH)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(COO)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(COO){1|O<2>,3|C<3>}	135.3355	0.159	2	135.3355	0.025	2	135.3355	0.025	2	135.8666	3.674	22	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:N-2:	C[5a,6a]-3:C[5a,6a]-3:N-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]N)(C[6a]N[5a,6a]N)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[5a,6a]C[5a,6a]2)(NC[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(NC[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]N)(C[6a]N[5a,6a]N){1|N<2>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[5a,6a]C[5a,6a]2)(NC[6a]){1|N<3>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(NC[6a]H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	130.1100	0.000	1	130.1100	0.000	1	130.1100	0.000	1	135.8666	3.674	22	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(NC[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[5a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]N){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(NC[6a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[5a]C[6a]H){1|N<2>,5|C<3>}	132.2460	0.000	1	132.2460	0.000	1	133.2175	1.888	2	134.2660	0.932	20	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(NN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]N){1|C<3>,1|O<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(NN){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,1|N<2>,2|C<3>}	134.1890	0.000	1	134.1890	0.000	1	133.2175	1.888	2	134.2660	0.932	20	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O){1|Ir<4>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|Ir<4>,1|O<2>,2|C<3>}	134.2395	0.091	2	134.4420	0.177	5	134.5136	0.726	16	134.2660	0.932	20	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O){1|Rh<4>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|Rh<4>,1|O<2>,2|C<3>}	134.2990	0.317	2	134.4420	0.177	5	134.5136	0.726	16	134.2660	0.932	20	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,1|O<2>,2|C<3>}	135.1330	0.000	1	134.4420	0.177	5	134.5136	0.726	16	134.2660	0.932	20	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,1|O<2>,2|C<3>}	135.1070	0.910	3	135.1070	0.828	3	134.5136	0.726	16	134.2660	0.932	20	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH){1|H<1>,1|O<2>,2|C<3>}	133.2380	0.000	1	133.2380	0.000	1	134.5136	0.726	16	134.2660	0.932	20	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]2H){1|H<1>,1|O<2>,2|C<3>}	134.6000	0.000	1	134.6000	0.000	1	134.5136	0.726	16	134.2660	0.932	20	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Si)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O){1|Si<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Si)(CCHH){1|O<2>,3|C<3>}	133.1220	0.000	1	133.1220	0.000	1	134.5136	0.726	16	134.2660	0.932	20	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC[5]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH){1|H<1>,1|O<2>,2|C<3>}	136.4120	0.000	1	136.4120	0.000	1	134.5136	0.726	16	134.2660	0.932	20	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,1|O<2>,2|C<3>}	134.3288	0.210	4	134.3288	0.044	4	134.5136	0.726	16	134.2660	0.932	20	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:S-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]S)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(SC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHHN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]S){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(SC){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHHN){1|H<1>,1|S<2>,2|C<3>}	133.3330	0.085	2	133.3330	0.007	2	133.3330	0.007	2	134.2660	0.932	20	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[6a]C[5]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[6a]C[5]H)(C[5a]N[5a]H){1|C<4>,1|O<2>,2|C<3>}	133.4490	0.000	1	133.4490	0.000	1	133.4490	0.000	1	131.4240	3.187	3	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]2Fe)(C[5a]S[5a]H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]O){1|Fe<10>,1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]2Fe)(C[5a]S[5a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	130.4115	0.473	2	130.4115	0.224	2	130.4115	0.224	2	131.4240	3.187	3	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)2{1|N<2>,1|N<3>,3|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|C<4>,3|C<3>}	134.8710	0.000	1	134.8710	0.000	1	134.8710	0.000	1	134.4457	19.631	13	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:S[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]H)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]H)(C[6a]C[6a]2){1|Si<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|S<2>,3|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(H){1|Si<4>,3|C<3>}	128.0320	0.153	2	128.0320	0.023	2	127.4783	0.931	3	134.4457	19.631	13	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:S[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]H)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]H)(C[6a]C[6a]2){6|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)2{1|S<2>,3|H<1>,7|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(H){4|C<3>}	126.3710	0.000	1	126.3710	0.000	1	127.4783	0.931	3	134.4457	19.631	13	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NHS)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]N){1|Br<1>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NHS){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|H<1>,1|N<3>,2|C<3>}	136.5570	0.000	1	136.6195	0.008	2	137.4367	0.630	8	134.4457	19.631	13	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NHS)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]N){1|C<3>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NHS){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|H<1>,1|N<3>,2|C<3>}	136.6820	0.000	1	136.6195	0.008	2	137.4367	0.630	8	134.4457	19.631	13	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NOO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NOO){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|C<4>,1|N<3>,2|C<3>}	138.1770	0.059	2	137.9894	0.066	5	137.4367	0.630	8	134.4457	19.631	13	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NOO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]N){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|N<3>,3|C<3>}	137.8643	0.268	3	137.9894	0.066	5	137.4367	0.630	8	134.4457	19.631	13	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(NHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]N){1|C<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(NHH){1|C<4>,1|H<1>,1|N<3>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|N<2>,1|N<3>,2|C<3>}	136.3080	0.000	1	136.3080	0.000	1	137.4367	0.630	8	134.4457	19.631	13	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|Re<6>,1|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]2){1|N<2>,4|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){4|C<3>}	130.9940	0.000	1	130.9940	0.000	1	130.9940	0.000	1	134.4457	19.631	13	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:S[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]C)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(CN[5]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]C)(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)2{1|S<2>,2|H<1>,8|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(CN[5]O){1|H<1>,3|C<3>}	129.4310	0.000	1	129.4310	0.000	1	129.4310	0.000	1	138.0722	18.133	6	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:O[5a]-2:N-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]O[5a]N)(C[6a]C[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NOO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])(NHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]O[5a]N)(C[6a]C[6a]N){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NOO){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])(NHH){1|N<3>,2|C<3>}	139.8280	0.759	2	139.9385	0.226	4	139.9385	0.226	4	138.0722	18.133	6	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:O[5a]-2:N-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]O[5a]N)(C[6a]C[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NOO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])(NHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]O[5a]N)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NOO){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])(NHH){1|N<3>,2|C<3>}	140.0490	0.229	2	139.9385	0.226	4	139.9385	0.226	4	138.0722	18.133	6	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:N-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a]C[6a])(C[5a]N[5a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(NHN)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a]C[6a])(C[5a]N[5a]N){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]C){1|C<4>,1|H<1>,2|C<3>,2|N<2>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(NHN){1|H<1>,1|N<2>,2|C<3>}	139.2480	0.000	1	139.2480	0.000	1	139.2480	0.000	1	138.0722	18.133	6	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<2>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|N<3>,3|C<3>}	136.8260	0.000	1	137.1591	0.408	16	137.3383	0.736	22	136.8888	3.210	64	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,1|F<1>,1|H<1>,1|N<3>,2|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|N<2>,3|C<3>}	137.4100	0.000	1	137.1591	0.408	16	137.3383	0.736	22	136.8888	3.210	64	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,1|N<3>,2|H<1>,2|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|N<2>,3|C<3>}	137.2213	0.183	3	137.1591	0.408	16	137.3383	0.736	22	136.8888	3.210	64	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>,2|N<2>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|N<2>,3|C<3>}	137.7350	1.478	2	137.1591	0.408	16	137.3383	0.736	22	136.8888	3.210	64	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|N<2>,3|C<3>}	137.0386	0.656	7	137.1591	0.408	16	137.3383	0.736	22	136.8888	3.210	64	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|N<3>,2|C<3>,2|C<4>,2|H<1>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|N<2>,3|C<3>}	136.9525	0.500	2	137.1591	0.408	16	137.3383	0.736	22	136.8888	3.210	64	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]F)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|F<1>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]F){1|C<4>,1|N<3>,2|C<3>,2|N<2>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|H<1>,1|N<2>,2|C<3>}	137.3413	0.293	3	137.3413	0.086	3	137.3383	0.736	22	136.8888	3.210	64	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|N<2>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC3){1|N<2>,3|C<3>}	140.2520	0.000	1	140.2520	0.000	1	137.3383	0.736	22	136.8888	3.210	64	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|N<2>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|N<2>,3|C<3>}	137.0310	0.000	1	137.3105	0.156	2	137.3383	0.736	22	136.8888	3.210	64	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,2|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|N<2>,3|C<3>}	137.5900	0.000	1	137.3105	0.156	2	137.3383	0.736	22	136.8888	3.210	64	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:S[5a]-2:Si-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]Si)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(SiC3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]Si)(C[6a]C[6a]2){1|Si<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|Si<4>,1|S<2>,2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(SiC3){1|Si<4>,3|C<3>}	129.6055	0.252	2	129.6055	0.064	2	129.6055	0.064	2	136.8888	3.210	64	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5,6a]C[6a])(C[5a]N[5a]C){5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|H<1>,2|N<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC3){1|N<2>,3|C<3>}	139.0337	0.136	3	139.0337	0.019	3	137.4382	1.866	8	136.8888	3.210	64	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5,6a]C[6a])(C[5a]N[5a]C){5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|H<1>,2|N<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|N<2>,3|C<3>}	136.4100	0.000	1	136.2340	0.062	2	137.4382	1.866	8	136.8888	3.210	64	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5,6a]C[6a])(C[5a]N[5a]C){5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2){1|C<4>,1|N<3>,2|H<1>,2|N<2>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|N<2>,3|C<3>}	136.0580	0.000	1	136.2340	0.062	2	137.4382	1.866	8	136.8888	3.210	64	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]S[5])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5,6a]C[6a])(C[5a]N[5a]C){1|S<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]S[5])(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>,2|N<2>,2|O<1>,3|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|N<2>,3|C<3>}	136.0450	0.000	1	136.0450	0.000	1	137.4382	1.866	8	136.8888	3.210	64	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[6a]C[5,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]O[5a])(CH3)	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[6a]C[5,6a]C[6a])(C[5a]N[5a]C){4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<2>,2|O<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]O[5a])(CH3){1|N<2>,2|C<3>}	136.9460	0.000	2	136.9460	0.000	2	137.4382	1.866	8	136.8888	3.210	64	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C)(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])2(CC[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C)(C[5a]N[5a]C){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])2(CC[6a]O){2|C<4>,2|N<3>,3|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|N<2>,3|C<3>}	135.6915	0.599	2	135.6915	0.359	2	135.6915	0.359	2	136.8888	3.210	64	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]C){5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){1|C<4>,2|H<1>,2|N<2>,2|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|N<2>,3|C<3>}	135.9820	0.476	3	135.9820	0.227	3	135.9439	0.099	7	136.8888	3.210	64	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])2(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]C){5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])2(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>,2|N<3>,3|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|N<2>,3|C<3>}	135.9855	0.281	2	135.9855	0.079	2	135.9439	0.099	7	136.8888	3.210	64	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])2(C[6a]C[6a]N[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|N<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])2(C[6a]C[6a]N[6a]){1|H<1>,2|C<3>,2|C<4>,2|N<3>,3|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|N<2>,3|C<3>}	135.8450	0.187	2	135.8450	0.035	2	135.9439	0.099	7	136.8888	3.210	64	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]C[5a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(C[5a]C[5a]S[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]C[5a])(C[5a]N[5a]C){1|C<4>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(C[5a]C[5a]S[5a]){1|C<4>,2|N<2>,2|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|N<2>,3|C<3>}	137.0430	0.000	2	137.0430	0.000	2	137.0430	0.000	2	136.8888	3.210	64	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]2)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]C[6a])(C[5a]N[5a]C){5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]2)(C[6a]C[6a]2){1|N<3>,2|C<4>,2|H<1>,2|N<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|N<2>,3|C<3>}	136.7139	0.329	7	136.7076	0.093	8	137.0545	0.680	17	136.8888	3.210	64	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]2)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]C[6a])(C[5a]N[5a]C){5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]2)(C[6a]C[6a]2){1|N<3>,2|C<4>,2|H<1>,3|C<3>,3|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|N<2>,3|C<3>}	136.6640	0.000	1	136.7076	0.093	8	137.0545	0.680	17	136.8888	3.210	64	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]C[6a])(C[5a]N[5a]C){1|C<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2){1|N<3>,2|C<4>,2|N<2>,3|C<3>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC3){1|N<2>,3|C<3>}	139.8190	0.000	1	139.8190	0.000	1	137.0545	0.680	17	136.8888	3.210	64	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]C[6a])(C[5a]N[5a]C){1|C<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2){1|N<3>,2|C<3>,2|C<4>,3|N<2>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|N<2>,3|C<3>}	137.5280	0.000	1	137.0559	0.231	8	137.0545	0.680	17	136.8888	3.210	64	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]C[6a])(C[5a]N[5a]C){1|C<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2){1|N<3>,2|C<4>,2|N<2>,3|C<3>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|N<2>,3|C<3>}	137.2152	0.315	4	137.0559	0.231	8	137.0545	0.680	17	136.8888	3.210	64	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]C[6a])(C[5a]N[5a]C){5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|H<1>,2|N<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|N<2>,3|C<3>}	136.6860	0.541	3	137.0559	0.231	8	137.0545	0.680	17	136.8888	3.210	64	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]C[6a])(C[5a]N[5a]C){5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|N<3>,2|N<2>,3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|N<2>,3|C<3>}	137.1015	0.308	2	137.1015	0.095	2	137.1015	0.095	2	136.8888	3.210	64	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,4|C<3>}	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2){1|C<4>,1|N<3>,2|H<1>,2|N<2>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|C<4>,1|N<2>,2|C<3>}	136.4010	0.000	1	136.4010	0.000	1	136.4010	0.000	1	136.8888	3.210	64	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(CC3)	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|C<4>,2|H<1>,2|N<2>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(CC3){1|N<2>,1|N<3>,2|C<3>}	143.1200	0.000	1	143.1200	0.000	1	143.1200	0.000	1	136.8888	3.210	64	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]O[6a]H)(COO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<3>,1|O<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]O[6a]H)(COO){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){4|C<3>}	135.6830	0.000	1	135.6830	0.000	1	134.6196	2.566	14	132.6179	9.652	119	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]O)(COO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]O)(COO){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,3|C<3>}	134.5335	0.179	2	134.5335	0.032	2	134.6196	2.566	14	132.6179	9.652	119	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]O)(CHO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<4>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]O)(CHO){1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(H){3|C<3>}	135.2380	0.000	1	135.2380	0.000	1	134.6196	2.566	14	132.6179	9.652	119	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(CCC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]Si)(H)	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|Si<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(CCC){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]Si)(H){3|C<3>}	129.9350	0.000	1	129.9350	0.000	1	134.6196	2.566	14	132.6179	9.652	119	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCH){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|C<4>,3|C<3>}	134.0670	0.000	1	134.0670	0.000	1	134.6196	2.566	14	132.6179	9.652	119	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC[6a]O){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|C<4>,5|C<3>}	132.5680	0.000	1	134.3387	2.368	3	134.6196	2.566	14	132.6179	9.652	119	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC[6a]O){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|C<4>,5|C<3>}	135.2240	0.181	2	134.3387	2.368	3	134.6196	2.566	14	132.6179	9.652	119	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCC){1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(H){3|C<3>}	135.3050	0.000	1	135.3050	0.000	1	134.6196	2.566	14	132.6179	9.652	119	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCH){1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(H){3|C<3>}	135.4580	0.000	1	135.4580	0.000	1	134.6196	2.566	14	132.6179	9.652	119	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC[5a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC[5a]O){1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(H){5|C<3>}	135.2580	0.000	1	135.2580	0.000	1	134.6196	2.566	14	132.6179	9.652	119	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(COO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(COO){1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(H){5|C<3>}	135.8240	0.304	2	135.8240	0.092	2	134.6196	2.566	14	132.6179	9.652	119	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6])(C[5a]C[5a,6]H)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6])(C[5a]C[5a,6]H)(C[6a]C[6a]2){1|B<4>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H){1|B<4>,5|C<3>}	129.5570	0.000	1	129.5570	0.000	1	130.1390	0.677	2	132.6179	9.652	119	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]2){1|B<4>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)2{1|N<3>,3|H<1>,7|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H){1|B<4>,5|C<3>}	130.7210	0.000	1	130.7210	0.000	1	130.1390	0.677	2	132.6179	9.652	119	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:O-1:	C[5a,6a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a,6a]O)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])2(O)	C[5a,6a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a,6a]O)(C[6a]C[6a]2){7|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]C)(C[6a]C[6a]2){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])2(O){1|H<1>,5|C<3>}	129.2110	0.000	1	129.1940	0.165	8	129.1518	0.160	9	132.6179	9.652	119	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:O-1:	C[5a,6a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a,6a]O)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])2(O)	C[5a,6a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a,6a]O)(C[6a]C[6a]2){7|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]C)(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])2(O){1|H<1>,5|C<3>}	129.1916	0.438	7	129.1940	0.165	8	129.1518	0.160	9	132.6179	9.652	119	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:O-1:	C[5a,6a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a,6a]O)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])2(O)	C[5a,6a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a,6a]O)(C[6a]C[6a]2){7|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])2(O){1|H<1>,5|C<3>}	128.8140	0.000	1	128.8140	0.000	1	129.1518	0.160	9	132.6179	9.652	119	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O[6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	133.7570	0.000	1	133.7570	0.000	1	131.6764	4.327	14	132.6179	9.652	119	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a,6a]H)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){4|C<3>}	132.0090	0.000	1	132.0090	0.000	1	131.6764	4.327	14	132.6179	9.652	119	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){7|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){4|C<3>}	131.4155	0.967	2	131.4155	0.934	2	131.6764	4.327	14	132.6179	9.652	119	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){1|S<2>,3|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H){3|C<3>}	127.7910	0.000	1	127.7910	0.000	1	131.6764	4.327	14	132.6179	9.652	119	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,4|C<3>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,3|C<3>}	134.1440	0.000	1	134.1440	0.000	1	131.6764	4.327	14	132.6179	9.652	119	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]N[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]N[6a]O){1|N<3>,3|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,3|C<3>}	134.6470	0.165	2	134.6470	0.027	2	131.6764	4.327	14	132.6179	9.652	119	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|C<4>,1|S<2>,3|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H){3|C<3>}	129.8385	0.035	2	129.8385	0.001	2	131.6764	4.327	14	132.6179	9.652	119	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|S<2>,3|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H){3|C<3>}	129.5040	0.000	1	129.5040	0.000	1	131.6764	4.327	14	132.6179	9.652	119	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,1|N<2>,1|S<2>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H){1|N<2>,2|C<3>}	131.4877	0.386	3	131.4877	0.149	3	131.6764	4.327	14	132.6179	9.652	119	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]H)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]H)(C[6a]C[6a]2){1|B<4>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)2{1|N<3>,3|H<1>,7|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(H){1|N<3>,2|F<1>,4|C<3>}	129.7670	0.000	1	129.7670	0.000	1	129.7670	0.000	1	132.6179	9.652	119	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,2|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(O){1|H<1>,5|C<3>}	132.0210	0.000	1	132.0210	0.000	1	132.0210	0.000	1	132.6179	9.652	119	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NOO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NOO){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	138.9810	0.000	1	138.9810	0.000	1	137.0776	2.480	5	132.6179	9.652	119	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(NC[6]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<3>,1|S<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(NC[6]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<3>,1|N<2>,1|N<3>,1|S<4>}	135.5040	0.496	2	135.5040	0.246	2	137.0776	2.480	5	132.6179	9.652	119	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(NCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(H)	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]N){1|C<4>,1|H<1>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(H){1|C<3>,1|N<2>,1|N<3>}	137.6995	0.571	2	137.6995	0.326	2	137.0776	2.480	5	132.6179	9.652	119	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NOO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NOO){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H){1|N<3>,2|C<3>}	137.9730	0.000	1	137.9730	0.000	1	137.6177	0.146	3	132.6179	9.652	119	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NOO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NOO){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C[5])(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	137.4400	0.320	2	137.4400	0.102	2	137.6177	0.146	3	132.6179	9.652	119	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:N-3:	C[5a,6a]-3:C[5a]-3:Br-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]Br)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(NHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(Br)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]Br)(C[6a]N[6a]N){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(NHH){1|Br<1>,1|C<3>,1|N<2>,1|N<3>,1|O<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(Br){1|C<4>,1|N<2>,2|N<3>}	137.3500	0.000	1	137.3500	0.000	1	137.3500	0.000	1	132.6179	9.652	119	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:N-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(NHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<4>,1|N<2>,2|N<3>}	136.6380	0.000	1	136.6380	0.000	1	136.6380	0.000	1	132.6179	9.652	119	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]C[6a])(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]C[6a])(C[5a]C[5a]H){1|C<2>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2){1|C<4>,1|S<2>,3|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H){3|C<3>}	128.9430	0.000	1	128.9430	0.000	1	128.9430	0.000	1	132.6179	9.652	119	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5,6a]C[6a])(C[5a]N[5a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5,6a]C[6a])(C[5a]N[5a]O){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2){1|N<2>,2|H<1>,2|N<3>,2|O<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(O){1|H<1>,1|N<2>,4|C<3>}	133.3380	0.000	1	133.3380	0.000	1	133.3380	0.000	1	132.6179	9.652	119	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:B[5]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]B[5])(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(B[5]O[5]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]Si)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]B[5])(C[5a]C[5a]H){1|Si<4>,1|B<3>,1|C<3>,1|S<2>,2|O<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(B[5]O[5]2){1|H<1>,1|S<2>,2|C<4>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]Si)(H){1|B<3>,2|C<3>}	127.0235	1.240	2	127.0235	1.537	2	127.0235	1.537	2	132.6179	9.652	119	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){1|N<3>,1|S<2>,3|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H){3|C<3>}	128.2200	0.004	2	128.2200	0.000	2	129.2060	1.360	4	132.6179	9.652	119	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|C<4>,1|N<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){1|Cl<1>,1|N<2>,2|H<1>,2|S<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H){1|N<2>,2|C<3>}	130.1920	0.437	2	130.1920	0.191	2	129.2060	1.360	4	132.6179	9.652	119	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]O){1|C<4>,1|O<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,7|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(O){1|O<1>,3|C<3>}	129.1902	0.452	8	129.1902	0.205	8	129.0736	0.261	10	132.6179	9.652	119	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])2(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]O){1|O<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])2(C[6a]C[6a]2){2|H<1>,2|N<3>,2|O<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])(O){1|O<1>,5|C<3>}	128.6070	0.610	2	128.6070	0.372	2	129.0736	0.261	10	132.6179	9.652	119	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:N-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]N)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(NCC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]N)(C[5a]C[5a]H){1|C<2>,1|C<3>,1|N<3>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(NCC){1|H<1>,1|S<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H){1|N<3>,2|C<3>}	128.5020	0.000	1	128.5020	0.000	1	128.5020	0.000	1	132.6179	9.652	119	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]N[5a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]N[5a]2)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|N<2>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,3|C<3>}	134.8130	0.286	2	134.8130	0.082	2	134.8130	0.082	2	132.6179	9.652	119	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a]N[6a])(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]O[5a])(N[6a]N[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a]N[6a])(C[5a]C[5a]H){1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]O[5a])(N[6a]N[6a]H){2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,1|N<3>,2|C<3>}	133.2105	0.354	2	133.2105	0.126	2	133.2105	0.126	2	132.6179	9.652	119	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6,6a]C[6a])(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]N[6,6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6,6a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]N[6,6a])(C[6a]C[6a]2){1|S<2>,3|H<1>,7|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H){3|C<3>}	128.9040	0.000	1	128.9040	0.000	1	128.9040	0.000	1	132.6179	9.652	119	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:O-1:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])2(O)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]O){6|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,1|O<1>,3|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])2(O){1|H<1>,1|N<2>,4|C<3>}	132.1030	0.099	2	132.1030	0.010	2	132.1030	0.010	2	132.6179	9.652	119	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H){1|Br<1>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|S<2>,4|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H){3|C<3>}	129.2280	0.851	2	128.9137	0.659	3	128.9137	0.659	3	132.6179	9.652	119	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|S<2>,4|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H){3|C<3>}	128.2850	0.000	1	128.9137	0.659	3	128.9137	0.659	3	132.6179	9.652	119	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:B[5]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]B[5])(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(B[5]O[5]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]B[5])(C[5a]C[5a]H){1|C<3>,2|O<2>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(B[5]O[5]2){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|B<3>,1|H<1>,2|C<3>}	133.9255	0.128	2	133.9255	0.016	2	133.9255	0.016	2	132.6179	9.652	119	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[6]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6])(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6]C[6]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6])(C[5a]C[5a]H){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6]C[6]2){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<4>,1|N<3>,2|C<3>}	133.3815	0.882	4	133.3424	0.618	8	132.9209	2.139	9	132.6179	9.652	119	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[6]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6])(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6]C[6]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6])(C[5a]C[5a]H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6]C[6]2){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|N<3>,3|C<3>}	133.3032	0.812	4	133.3424	0.618	8	132.9209	2.139	9	132.6179	9.652	119	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[6]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]N[6])(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6]C[6]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]N[6])(C[5a]C[5a]H){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6]C[6]2){1|S<2>,2|C<3>,2|C<4>,6|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H){1|N<3>,2|C<3>}	129.5490	0.000	1	129.5490	0.000	1	132.9209	2.139	9	132.6179	9.652	119	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[5a])(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C){1|N<2>,1|N<3>,2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|N<3>,1|S<4>,4|C<3>}	132.5020	0.000	1	132.5495	0.005	2	133.5627	3.082	3	132.6179	9.652	119	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[5a])(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C){1|N<3>,2|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|N<3>,1|S<4>,4|C<3>}	132.5970	0.000	1	132.5495	0.005	2	133.5627	3.082	3	132.6179	9.652	119	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]N[5a])(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C){1|O<2>,2|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(H){1|N<3>,4|C<3>}	135.5890	0.000	1	135.5890	0.000	1	133.5627	3.082	3	132.6179	9.652	119	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2){1|S<2>,3|H<1>,7|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H){3|C<3>}	129.6640	0.000	1	129.6640	0.000	1	129.6640	0.000	1	132.6179	9.652	119	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[6a]C[5a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]2)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[6a]C[5a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|Re<6>,1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]2){1|N<2>,4|H<1>,6|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H){4|C<3>}	130.4550	0.000	1	130.4550	0.000	1	133.2710	7.270	3	132.6179	9.652	119	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[6a]C[5a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])2(C[6a]C[6a]2)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[6a]C[5a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])2(C[6a]C[6a]2){4|H<1>,7|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H){4|C<3>}	134.6790	1.626	2	134.6790	2.645	2	133.2710	7.270	3	132.6179	9.652	119	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a,6,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6,6a]B[6,6,6a]C[5a,6])(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[6a](C[5a,6a]N[5a,6,6a]C[5a])2(C[6a]C[6a]2)	C[5a](C[5a,6a]N[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(H)	C[5a,6a](N[5a,6,6a]B[6,6,6a]C[5a,6])(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,2|N<3>,4|C<3>}	C[6a](C[5a,6a]N[5a,6,6a]C[5a])2(C[6a]C[6a]2){1|B<3>,4|H<1>,6|C<3>}	C[5a](C[5a,6a]N[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(H){1|B<3>,3|C<3>}	138.6345	0.129	4	138.6345	0.017	4	138.6345	0.017	4	132.6179	9.652	119	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:Cl-1:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]Cl)(C[6a]C[6a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(COO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(Cl)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]Cl)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(COO){1|Cl<1>,1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(Cl){1|H<1>,5|C<3>}	137.6210	0.000	1	137.6210	0.000	1	137.6210	0.000	1	132.6179	9.652	119	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]C[6a])(COO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]C){1|N<2>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]C[6a])(COO){1|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H){1|H<1>,1|N<2>,4|C<3>}	131.7350	0.000	1	131.7350	0.000	1	134.1653	4.520	3	132.6179	9.652	119	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(COO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(COO){2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	135.0810	0.000	1	135.0810	0.000	1	134.1653	4.520	3	132.6179	9.652	119	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]C)(COO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]C){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]C)(COO){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	135.6800	0.000	1	135.6800	0.000	1	134.1653	4.520	3	132.6179	9.652	119	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(CHO)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(CHO){2|H<1>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H){4|C<3>}	135.2150	0.000	1	135.2150	0.000	1	134.7408	0.973	5	132.6179	9.652	119	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(CHO)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]C){2|C<3>,3|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(CHO){2|H<1>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H){4|C<3>}	135.5080	0.683	2	135.5080	0.467	2	134.7408	0.973	5	132.6179	9.652	119	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(COO)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(COO){1|H<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(H){4|C<3>}	133.7365	0.064	2	133.7365	0.004	2	134.7408	0.973	5	132.6179	9.652	119	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2){7|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	129.9300	0.000	1	129.9300	0.000	1	131.9990	3.230	3	132.6179	9.652	119	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<4>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	133.0335	0.196	2	133.0335	0.038	2	131.9990	3.230	3	132.6179	9.652	119	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	134.0230	0.354	3	134.0230	0.125	3	133.7550	0.371	4	132.6179	9.652	119	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]I)(C[6a]C[6a]2)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|I<1>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]I)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	132.9510	0.000	1	132.9510	0.000	1	133.7550	0.371	4	132.6179	9.652	119	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]N)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(NCS)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]N){2|C<3>,3|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(NCS){1|H<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,1|N<3>,2|C<3>}	134.7530	0.000	1	134.7530	0.000	1	134.7530	0.000	1	132.6179	9.652	119	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|N<3>,1|S<2>,2|H<1>,2|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	138.4700	0.000	1	138.4700	0.000	1	138.6255	0.048	2	134.9713	9.148	15	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|N<2>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,3|H<1>,4|C<3>}	138.7810	0.000	1	138.7810	0.000	1	138.6255	0.048	2	134.9713	9.148	15	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Co)(NC[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2){1|Co<6>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Co)(NC[5a]){1|N<2>,3|C<3>}	132.0077	1.799	4	131.6758	2.273	6	131.6758	2.273	6	134.9713	9.148	15	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Co)(NC[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2){1|Co<6>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Co)(NC[5a]){1|N<3>,3|C<3>}	131.0120	0.576	2	131.6758	2.273	6	131.6758	2.273	6	134.9713	9.148	15	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N)(CN)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|N<3>,1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]2){1|C<2>,1|O<2>,2|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N)(CN){3|C<3>}	135.4170	0.000	1	135.4170	0.000	1	135.4170	0.000	1	134.9713	9.148	15	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:O-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(OC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]O){1|Ni<4>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<3>,1|O<2>,3|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(OC){1|Ni<4>,1|N<3>,4|C<3>}	136.8235	0.271	4	136.8235	0.073	4	136.8235	0.073	4	134.9713	9.148	15	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a]){7|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<3>,2|N<2>,3|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,2|H<1>,5|C<3>}	137.3890	0.000	1	137.3890	0.000	1	137.2765	0.025	2	134.9713	9.148	15	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a])	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a]){6|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|O<1>,1|O<2>,2|N<2>,3|C<3>,3|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a]){1|N<2>,2|H<1>,4|C<3>}	137.1640	0.000	1	137.1640	0.000	1	137.2765	0.025	2	134.9713	9.148	15	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(CNO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(CNO){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCC){1|S<4>,5|C<3>}	130.0760	0.000	1	130.0760	0.000	1	133.7017	9.929	3	134.0892	5.307	36	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC[6a]O){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCO){1|C<4>,3|C<3>}	135.2510	0.000	1	135.2510	0.000	1	133.7017	9.929	3	134.0892	5.307	36	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CHO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,1|S<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CHO){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]C){1|S<4>,3|C<3>}	135.7780	0.000	1	135.7780	0.000	1	133.7017	9.929	3	134.0892	5.307	36	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CHN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]C){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CHN){1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	135.1700	0.000	1	135.5295	0.258	2	136.0725	0.690	4	134.0892	5.307	36	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CHN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]C){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CHN){1|Br<1>,1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	135.8890	0.000	1	135.5295	0.258	2	136.0725	0.690	4	134.0892	5.307	36	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(COO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]C){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(COO){2|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])(C[6a]C[6a]2){1|O<2>,2|H<1>,6|C<3>}	136.0530	0.000	1	136.0530	0.000	1	136.0725	0.690	4	134.0892	5.307	36	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(COO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]C){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(COO){2|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	137.1780	0.000	1	137.1780	0.000	1	136.0725	0.690	4	134.0892	5.307	36	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(NHH)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]C){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCC){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(NHH){3|C<3>}	134.8183	0.106	3	134.8183	0.011	3	133.6778	2.565	6	134.0892	5.307	36	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC[6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(NCH)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]C){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC[6a]C){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(NCH){3|C<3>}	134.3630	0.000	1	134.3630	0.000	1	133.6778	2.565	6	134.0892	5.307	36	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(CCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(NHH)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]C){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(CCH){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|S<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(NHH){1|N<2>,2|C<3>}	131.6245	0.028	2	131.6245	0.001	2	133.6778	2.565	6	134.0892	5.307	36	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCO){1|H<1>,3|C<3>}	136.5110	0.000	1	136.5110	0.000	1	136.6245	0.026	2	134.0892	5.307	36	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N)(COO)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|O<2>,3|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N)(COO){3|C<3>}	136.7380	0.000	1	136.7380	0.000	1	136.6245	0.026	2	134.0892	5.307	36	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]S)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|S<2>,7|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]S){1|S<2>,2|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2){2|F<1>,7|C<3>}	129.6890	0.000	1	129.6890	0.000	1	133.9585	36.457	2	134.0892	5.307	36	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|H<1>,1|S<4>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)2{1|N<2>,1|N<3>,2|H<1>,7|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|N<2>,1|S<4>,2|H<1>,4|C<3>}	138.2280	0.000	1	138.2280	0.000	1	133.9585	36.457	2	134.0892	5.307	36	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(NHH)	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]2){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(NHH){1|N<2>,2|C<3>}	138.3430	0.000	1	138.3430	0.000	1	133.0452	6.905	6	134.0892	5.307	36	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(NHH)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]2){1|C<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,1|N<2>,1|N<3>,1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(NHH){1|N<2>,2|C<3>}	132.1215	0.346	2	131.8443	0.148	4	133.0452	6.905	6	134.0892	5.307	36	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(NHH)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]2){5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,1|N<2>,1|N<3>,1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(NHH){1|N<2>,2|C<3>}	131.6620	0.000	1	131.8443	0.148	4	133.0452	6.905	6	134.0892	5.307	36	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(NHH)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]2){5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,1|N<3>,1|S<2>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(NHH){1|N<2>,2|C<3>}	131.4720	0.000	1	131.8443	0.148	4	133.0452	6.905	6	134.0892	5.307	36	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(NHH)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]2){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,1|S<2>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(NHH){1|N<2>,2|C<3>}	132.5510	0.000	1	132.5510	0.000	1	133.0452	6.905	6	134.0892	5.307	36	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N[5]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[5])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(N[5]C[5]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[5])(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|N<3>,3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	134.6670	0.000	1	134.6670	0.000	1	134.6670	0.000	1	134.0892	5.307	36	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Co)(NC[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2){1|Co<6>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|N<3>,3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Co)(NC[5a]H){1|N<2>,3|C<3>}	132.6115	0.162	2	132.6115	0.026	2	132.6115	0.026	2	134.0892	5.307	36	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]N){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCN){1|N<3>,3|C<3>}	135.6690	0.000	1	135.6690	0.000	1	135.6690	0.000	1	134.0892	5.307	36	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(NHH)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]N){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NHH){1|C<3>,1|N<2>,1|S<2>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(NHH){1|C<3>,1|N<2>,1|N<3>}	130.8890	0.000	1	130.8890	0.000	1	130.8890	0.000	1	134.0892	5.307	36	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a]){1|C<4>,1|H<1>,7|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a]C)(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	131.3240	0.000	1	131.3240	0.000	1	131.3240	0.000	1	134.0892	5.307	36	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6]C[6a])(C[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5,6]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6]C[6a])(C[5a]C[5a]C){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5,6]O){1|S<4>,3|C<3>}	131.9980	0.000	1	131.9980	0.000	1	131.9980	0.000	1	134.0892	5.307	36	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]C[6a])(C[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CCO)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]C[6a])(C[5a]C[5a]C){2|C<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2){1|C<4>,1|O<2>,2|H<1>,7|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CCO){3|C<3>}	134.7950	0.000	1	134.7950	0.000	1	134.7950	0.000	1	134.0892	5.307	36	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|S<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCO){1|C<4>,3|C<3>}	134.7570	0.000	1	134.7570	0.000	1	134.7570	0.000	1	134.0892	5.307	36	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(CHO)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]I)(CC[6a]O)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|I<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(CHO){1|H<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]I)(CC[6a]O){4|C<3>}	136.2380	0.000	1	136.2380	0.000	1	134.5595	5.635	2	134.0892	5.307	36	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(CHO)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(CHO){5|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O){4|C<3>}	132.8810	0.000	1	132.8810	0.000	1	134.5595	5.635	2	134.0892	5.307	36	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	135.8560	0.000	1	135.8560	0.000	1	135.9365	0.013	2	134.0892	5.307	36	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	136.0170	0.000	1	136.0170	0.000	1	135.9365	0.013	2	134.0892	5.307	36	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCC){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC3){1|C<4>,3|C<3>}	134.3930	0.000	1	134.3930	0.000	1	135.5817	4.066	3	134.4292	8.221	15	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,1|S<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHN){1|S<4>,3|C<3>}	134.4420	0.000	1	134.4420	0.000	1	135.5817	4.066	3	134.4292	8.221	15	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(COO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(COO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,3|C<3>}	137.9100	0.000	1	137.9100	0.000	1	135.5817	4.066	3	134.4292	8.221	15	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HN){1|H<1>,3|C<3>}	133.4640	0.000	1	133.4640	0.000	1	133.4640	0.000	1	134.4292	8.221	15	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(NHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]N){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(NHH){1|C<4>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|N<3>,1|S<4>,2|C<3>}	130.8360	0.071	2	130.8360	0.005	2	135.2067	25.502	4	134.4292	8.221	15	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NOO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]N){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NOO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH){1|H<1>,1|N<3>,2|C<3>}	139.7860	0.000	1	139.7860	0.000	1	135.2067	25.502	4	134.4292	8.221	15	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NOO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]N){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NOO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>}	139.3690	0.000	1	139.3690	0.000	1	135.2067	25.502	4	134.4292	8.221	15	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5,6a]C[6a])(C[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5,6a]C[6a])(C[5a]C[5a]C){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2){1|C<4>,1|N<2>,1|N<3>,2|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|N<2>,3|C<3>}	136.4800	0.000	1	136.4800	0.000	1	136.4800	0.000	1	134.4292	8.221	15	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[6]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH){1|C<4>,3|C<3>}	131.6220	0.000	1	131.6220	0.000	1	131.6220	0.000	1	134.4292	8.221	15	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(COO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(CC[6a]CH)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(COO){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(CC[6a]CH){1|H<1>,5|C<3>}	134.8075	0.482	2	134.8075	0.232	2	134.8075	0.232	2	134.4292	8.221	15	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]I)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(CH3)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]2){1|I<1>,6|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]I)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	132.4715	0.028	2	132.4715	0.001	2	132.5617	0.025	3	134.4292	8.221	15	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]S)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(CH3)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]2){1|S<4>,6|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]S)(C[6a]C[6a]2){1|H<1>,2|C<4>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	132.7420	0.000	1	132.7420	0.000	1	132.5617	0.025	3	134.4292	8.221	15	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:4:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6]-4:N[5a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C[6])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]F)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]2H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C[6])(C[6a]C[6a]2){1|F<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]F){1|C<4>,1|N<3>,2|C<3>,2|N<2>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]2H)(N[5a]N[5a]){1|N<2>,2|C<3>,2|C<4>,5|H<1>}	138.5330	0.000	1	138.5330	0.000	1	138.5330	0.000	1	138.5330	0.000	1	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(COO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(COO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C){1|H<1>,3|C<3>}	136.5415	0.426	2	136.5415	0.182	2	136.5415	0.182	2	136.5415	0.182	2	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	4:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5,5]-4:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,5]C[5a])(C[6a]C[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NOO)	C[5a](C[5,5]C[3,5,5]C[3x5]H)(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,5]C[5a])(C[6a]C[6a]N){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NOO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5,5]C[3,5,5]C[3x5]H)(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>,4|C<4>}	139.3950	0.000	1	139.3950	0.000	1	139.3950	0.000	1	139.3950	0.000	1	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|C<4>,3|C<3>}	133.3950	0.000	1	133.3950	0.000	1	133.3950	0.000	1	133.3950	0.000	1	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:2:2:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:S[5a]-2:N-2:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a]S[5a]N)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a,6a]H)(CC3)	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(S[5a]C[5a,6a])(NC)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a]S[5a]N)(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a,6a]H)(CC3){1|N<2>,1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(S[5a]C[5a,6a])(NC){1|C<4>,3|C<3>}	131.2550	0.000	1	131.2550	0.000	1	131.2550	0.000	1	131.2550	0.000	1	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:O[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CC[5]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]C){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CC[5]H){1|C<4>,3|C<3>}	130.9640	0.255	4	130.9640	0.065	4	130.9640	0.065	4	130.9640	0.065	4	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:2:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]C){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CH3){1|N<3>,2|C<3>,2|C<4>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|C<4>,1|N<2>,2|C<3>}	136.8830	0.000	1	136.8830	0.000	1	137.1056	0.986	5	137.9680	2.948	9	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:2:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]C){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|C<4>,1|N<2>,2|C<3>}	136.0530	0.000	1	136.0530	0.000	1	137.1056	0.986	5	137.9680	2.948	9	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:2:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]C){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<4>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|C<4>,1|N<2>,2|C<3>}	136.3920	0.000	1	136.3920	0.000	1	137.1056	0.986	5	137.9680	2.948	9	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:2:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]N[5a]O[6a])(C[5a]N[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C[5a,6a](C[5a,6a]N[5a]O[6a])(C[5a]N[5a]C)(C[6a]C[6a]C){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|C<4>,1|O<2>,2|C<3>}	138.1000	0.549	2	138.1000	0.301	2	137.1056	0.986	5	137.9680	2.948	9	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:2:4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C-4:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]C)(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]C)(C[5a]N[5a]C){1|C<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(CCHH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|C<4>,1|N<2>,2|C<3>}	137.3815	0.265	2	137.3815	0.070	2	137.3815	0.070	2	137.9680	2.948	9	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:2:4:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(CC3)	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>,2|N<2>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(CC3){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	140.7105	0.343	2	140.7105	0.118	2	140.7105	0.118	2	137.9680	2.948	9	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:O-1:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]O)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]O)(O)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]O)(C[6a]C[6a]C){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|H<1>,1|O<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]O)(O){1|C<4>,3|C<3>}	133.1495	0.148	2	133.1495	0.022	2	133.1495	0.022	2	130.9812	6.823	51	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6])(C[5a]C[5a,6]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6])(C[5a]C[5a,6]H)(C[6a]C[6a]C){1|B<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H){1|B<4>,1|C<4>,4|C<3>}	130.0290	0.211	2	130.0290	0.044	2	130.0290	0.044	2	130.9812	6.823	51	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5,6a]O)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H)	C[5a,6a](C[5a,6a]C[5,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5,6a]O)(CH3){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H){1|C<4>,2|C<3>}	127.7790	0.000	1	127.7790	0.000	1	130.2041	6.065	28	130.9812	6.823	51	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5,6a]S)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H)	C[5a,6a](C[5a,6a]C[5,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|H<1>,1|S<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5,6a]S)(CH3){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H){1|C<4>,2|C<3>}	128.2880	0.057	2	128.2880	0.003	2	130.2041	6.065	28	130.9812	6.823	51	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]C)(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]C)(CCHH){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H){1|C<4>,2|C<3>}	128.8720	0.099	3	128.8720	0.010	3	130.2041	6.065	28	130.9812	6.823	51	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]H)(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]H)(CCHH){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H){1|C<4>,2|C<3>}	128.6857	0.322	6	128.6857	0.104	6	130.2041	6.065	28	130.9812	6.823	51	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[5a,6a]C)(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[5a,6a]C)(CCHH){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H){1|C<4>,2|C<3>}	128.1075	0.240	2	128.1075	0.057	2	130.2041	6.065	28	130.9812	6.823	51	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a,6a]H)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a,6a]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){2|C<3>,2|C<4>}	133.4800	0.000	1	133.4800	0.000	1	130.2041	6.065	28	130.9812	6.823	51	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(CCHH){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H){1|C<4>,2|C<3>}	128.7570	0.000	1	128.7570	0.000	1	130.2041	6.065	28	130.9812	6.823	51	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[3])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(CCHH){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[3])(H){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	132.6120	0.000	1	132.6120	0.000	1	130.2041	6.065	28	130.9812	6.823	51	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(CH3){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	133.2275	0.023	2	133.2275	0.001	2	130.2041	6.065	28	130.9812	6.823	51	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCHH){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	133.7760	0.000	1	133.7760	0.000	1	130.2041	6.065	28	130.9812	6.823	51	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<4>,3|C<3>}	132.3810	0.000	1	132.3810	0.000	1	130.2041	6.065	28	130.9812	6.823	51	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(CC[6a]2H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<3>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(CC[6a]2H){1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(H){1|C<4>,2|C<3>}	134.6140	0.179	3	134.6140	0.032	3	130.2041	6.065	28	130.9812	6.823	51	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]C)(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]C)(CCHH){1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H){1|C<4>,2|C<3>}	129.3640	0.000	1	129.3640	0.000	1	130.2041	6.065	28	130.9812	6.823	51	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]C)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]C)(CH3){1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H){1|C<4>,2|C<3>}	128.5823	0.532	3	128.5823	0.283	3	130.2041	6.065	28	130.9812	6.823	51	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]C)(O)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]C){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|S<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]C)(O){1|C<3>,1|C<4>,1|N<2>}	129.5602	0.361	5	129.5602	0.130	5	129.5602	0.130	5	130.9812	6.823	51	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]C)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]C)(C[5a]C[5a]H){1|Br<1>,1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(CCHH){1|H<1>,1|O<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(H){1|C<4>,2|C<3>}	133.0520	0.000	1	133.0520	0.000	1	130.5150	12.873	2	130.9812	6.823	51	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C)(C[5a]C[5a]H){1|C<4>,1|S<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(CCHH){1|H<1>,1|S<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H){1|C<4>,2|C<3>}	127.9780	0.000	1	127.9780	0.000	1	130.5150	12.873	2	130.9812	6.823	51	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[6]-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6]C[6]2H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]H){1|C<2>,1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	135.0225	0.012	2	135.0225	0.000	2	135.0225	0.000	2	130.9812	6.823	51	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:Si-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]Si)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(SiC3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]Si)(C[5a]C[5a]H){1|Si<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(SiC3){1|H<1>,1|O<2>,1|S<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H){1|Si<4>,2|C<3>}	127.8300	0.000	1	127.8300	0.000	1	127.8300	0.000	1	130.9812	6.823	51	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a,6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[5a,6a]C)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[5a,6a]C[5a,6a]2)(CF3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[5a,6a]C)(C[5a]C[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[5a,6a]C[5a,6a]2)(CF3){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	135.9230	0.000	1	135.9230	0.000	1	135.9230	0.000	1	130.9812	6.823	51	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:1:	N[5a,6,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6,6a]C[6,6a,6a]C[5a,6])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]N[5a,6,6a]C[5a])(C[6a]C[6a,6a]C)(CCHH)	C[5a](C[5a,6a]N[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(H)	C[5a,6a](N[5a,6,6a]C[6,6a,6a]C[5a,6])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6,6a]C[5a])(C[6a]C[6a,6a]C)(CCHH){1|H<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(H){1|C<4>,3|C<3>}	136.3900	0.000	1	136.3900	0.000	1	136.3900	0.000	1	130.9812	6.823	51	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]C)(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]C){1|C<4>,1|N<2>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]C)(CCHH){1|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	131.1290	0.000	1	131.1290	0.000	1	131.1095	0.001	2	130.9812	6.823	51	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]C)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]C){1|C<4>,1|N<2>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]C)(CH3){1|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	131.0900	0.000	1	131.0900	0.000	1	131.1095	0.001	2	130.9812	6.823	51	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(CCHH)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(CCHH){2|H<1>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,3|C<3>}	133.5145	0.375	2	133.5145	0.141	2	133.5900	0.088	3	130.9812	6.823	51	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(CH3)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(CH3){2|H<1>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|C<4>}	133.7410	0.000	1	133.7410	0.000	1	133.5900	0.088	3	130.9812	6.823	51	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:1:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]C)(C[5a]C[5a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(CCHH)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]C)(C[5a]C[5a]H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(CCHH){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	133.4310	0.000	1	133.4310	0.000	1	133.4310	0.000	1	130.9812	6.823	51	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:1:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:Si-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]Si)(C[5a]C[5a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]C[6a])(SiC3)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]Si)(C[5a]C[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]C[6a])(SiC3){1|H<1>,6|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|Si<4>,1|H<1>,2|C<3>}	132.5290	0.000	1	132.5290	0.000	1	132.5290	0.000	1	130.9812	6.823	51	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a,6a](C[5a,6a]C[5a,6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]H)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC)	C[5a,6a](C[5a,6a]C[5a,6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]C){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]H)(CH3){1|S<2>,2|C<3>,2|O<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC){1|C<4>,2|C<3>}	134.9970	0.000	1	134.9970	0.000	1	134.9970	0.000	1	134.9663	20.568	18	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5,6a]C[5a])(C[5a]C[6a]S[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5,6a]C)(CCCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[5,6a]C[5a])(C[5a]C[6a]S[5a])(C[6a]C[6a]C){2|C<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5,6a]C)(CCCH){1|C<4>,1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(S[5a]C[5a]){2|C<4>,2|H<1>,4|C<3>}	128.0040	0.000	1	128.0040	0.000	1	128.0040	0.000	1	134.9663	20.568	18	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cd)(NC[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]C){1|Cd<8>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCHH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cd)(NC[5a]){1|C<4>,1|N<2>,2|C<3>}	132.0507	0.537	8	132.0507	0.289	8	132.0507	0.289	8	134.9663	20.568	18	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5,6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]C)(C[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CN)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]C)(C[5a]C[5a]C){2|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(CH3){1|C<2>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CN){1|C<4>,3|C<3>}	129.4020	0.000	1	129.4020	0.000	1	129.4020	0.000	1	134.9663	20.568	18	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>,2|N<2>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	140.7662	1.462	5	140.7662	2.139	5	140.0834	2.817	7	134.9663	20.568	18	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(CC[6a]HH)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(CC[6a]HH){2|N<2>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|H<1>,4|C<3>}	138.3765	0.432	2	138.3765	0.187	2	140.0834	2.817	7	134.9663	20.568	18	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6,6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6,6a]H)(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CHO)	C[5a,6a](C[5a,6a]C[6,6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6,6a]H)(CCHH){1|C<4>,1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CHO){1|C<4>,2|C<3>}	135.9350	0.171	2	135.9350	0.029	2	136.6200	2.886	12	136.0429	4.429	48	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC3){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCO){2|C<3>,2|C<4>}	134.0995	0.431	2	134.0995	0.185	2	136.6200	2.886	12	136.0429	4.429	48	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCFF)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CNO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCFF){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CNO){2|C<3>,2|C<4>}	135.4640	0.000	1	135.4640	0.000	1	136.6200	2.886	12	136.0429	4.429	48	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCHH){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCO){2|C<3>,2|C<4>}	136.9560	0.000	1	136.9560	0.000	1	136.6200	2.886	12	136.0429	4.429	48	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(COO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|Br<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(COO){1|C<4>,1|H<1>,4|C<3>}	136.9740	0.000	1	136.9740	0.000	1	136.6200	2.886	12	136.0429	4.429	48	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(CHHN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(COO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(CHHN){1|Br<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(COO){2|C<3>,2|C<4>}	137.1277	0.472	3	137.1277	0.223	3	136.6200	2.886	12	136.0429	4.429	48	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(COO)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){2|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(COO){1|C<4>,2|C<3>}	138.6790	0.000	1	138.6790	0.000	1	136.6200	2.886	12	136.0429	4.429	48	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCO)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCHH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCO){1|C<3>,1|N<2>,2|C<4>}	139.9150	0.000	1	139.9150	0.000	1	136.6200	2.886	12	136.0429	4.429	48	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(NHH)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]C){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|S<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(NHH){1|C<3>,1|C<4>,1|N<2>}	131.5610	0.000	1	131.5610	0.000	1	131.5610	0.000	1	136.0429	4.429	48	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6a]O)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]C){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(CH3){1|C<4>,1|O<2>,1|S<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6a]O){1|C<4>,2|C<3>}	136.4566	0.131	5	136.4566	0.017	5	137.0932	0.324	26	136.0429	4.429	48	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6a]O)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]C){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(CH3){1|C<4>,1|O<2>,1|S<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6a]O){1|C<4>,2|C<3>}	137.2237	0.281	4	137.2237	0.079	4	137.0932	0.324	26	136.0429	4.429	48	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6]O)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]C){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(CH3){1|C<4>,1|O<2>,1|S<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6]O){1|C<4>,2|C<3>}	136.0740	0.000	1	136.0740	0.000	1	137.0932	0.324	26	136.0429	4.429	48	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6a]O)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]C){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(CH3){1|C<4>,1|O<2>,1|S<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6a]O){1|C<4>,2|C<3>}	136.5905	0.129	2	136.5905	0.017	2	137.0932	0.324	26	136.0429	4.429	48	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6a]O)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]C){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|C<4>,1|O<2>,1|S<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6a]O){1|C<4>,2|C<3>}	137.4389	0.281	7	137.4279	0.198	14	137.0932	0.324	26	136.0429	4.429	48	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6a]O)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]C){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|C<4>,1|O<2>,1|S<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6a]O){1|C<4>,2|C<3>}	137.5885	0.414	6	137.4279	0.198	14	137.0932	0.324	26	136.0429	4.429	48	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6a]O)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]C){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(SC[6a]O){1|C<4>,2|C<3>}	136.3870	0.000	1	137.4279	0.198	14	137.0932	0.324	26	136.0429	4.429	48	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a]N)(CCCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]N[6a]C){1|C<4>,1|N<2>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a]N)(CCCH){1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	134.5240	0.000	1	134.5240	0.000	1	134.5240	0.000	1	136.0429	4.429	48	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5,6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]C)(C[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]C)(C[5a]C[5a]C){1|C<2>,2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(CH3){1|C<2>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCC){1|C<2>,1|C<4>,2|C<3>}	131.8570	0.000	1	131.8570	0.000	1	131.8570	0.000	1	136.0429	4.429	48	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(CHHN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(CCC)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(CHHN){5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(CCC){1|C<4>,1|H<1>,4|C<3>}	131.8957	1.069	3	131.8957	1.143	3	132.2592	1.032	5	136.0429	4.429	48	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(CHHN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(CCH)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(CHHN){5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(CCH){1|C<4>,1|H<1>,4|C<3>}	132.1530	0.000	1	132.1530	0.000	1	132.2592	1.032	5	136.0429	4.429	48	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(CHN)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]C){2|C<4>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(CCHH){1|C<4>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(CHN){1|C<4>,1|H<1>,4|C<3>}	133.4560	0.000	1	133.4560	0.000	1	132.2592	1.032	5	136.0429	4.429	48	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(CCHH)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(COO)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(CCHH){1|H<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(COO){1|C<4>,3|C<3>}	135.3350	0.000	1	135.3350	0.000	1	135.3350	0.000	1	136.0429	4.429	48	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5,6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]B[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]N[5,6a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[5,6a]C[5,6a]B[5])(CH3)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]B[5a]C[6a])(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]B[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]N[5,6a]C){1|B<3>,1|C<4>,5|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[5,6a]C[5,6a]B[5])(CH3){1|B<3>,6|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]B[5a]C[6a])(C[6a]C[6a]2){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	131.6240	0.000	1	131.6240	0.000	1	131.6240	0.000	1	136.0429	4.429	48	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	134.9650	0.000	1	134.9650	0.000	1	134.9887	2.577	11	135.4780	2.143	28	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCHN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCHN){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	135.8503	0.850	3	135.8503	0.722	3	134.9887	2.577	11	135.4780	2.143	28	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC[6]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,1|S<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC[6]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HN){1|C<4>,1|S<4>,2|C<3>}	130.7850	0.000	1	130.7850	0.000	1	134.9887	2.577	11	135.4780	2.143	28	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	134.3930	0.000	1	134.3930	0.000	1	134.9887	2.577	11	135.4780	2.143	28	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){2|C<3>,2|C<4>}	134.5250	0.000	1	134.5250	0.000	1	134.9887	2.577	11	135.4780	2.143	28	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CH3)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>,2|O<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CH3){1|C<4>,4|C<3>}	134.9520	0.025	2	134.9520	0.001	2	134.9887	2.577	11	135.4780	2.143	28	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|O<2>,2|C<3>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(CCHH){1|C<4>,2|C<3>}	136.3410	0.000	1	136.3410	0.000	1	134.9887	2.577	11	135.4780	2.143	28	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>,2|O<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(CH3){1|C<4>,2|C<3>}	136.4120	0.000	1	136.4120	0.000	1	134.9887	2.577	11	135.4780	2.143	28	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC[6]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]C){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC[6]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){3|C<3>,3|C<4>,4|H<1>}	133.1430	0.000	1	133.1430	0.000	1	133.1430	0.000	1	135.4780	2.143	28	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:Si-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Si)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SiC[6a]2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Si)(C[6a]C[6a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|Si<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SiC[6a]2H){2|C<3>,2|C<4>}	133.6600	0.000	1	133.6600	0.000	1	133.6600	0.000	1	135.4780	2.143	28	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]O[6a])(C[5a]N[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]H)(CH3)	C[5a,6a](C[5a,6a]N[5a]O[6a])(C[5a]N[5a]C)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]H)(CH3){1|C<3>,1|C<4>,1|O<2>}	137.5705	0.180	2	137.5705	0.033	2	137.5705	0.033	2	135.4780	2.143	28	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6,6a]C)(C[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6,6a]C)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(CH3){1|C<4>,2|C<3>}	134.0120	0.000	1	134.0120	0.000	1	134.0120	0.000	1	135.4780	2.143	28	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5]-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[5])(C[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[5]C[5]2C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]CC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[5])(C[5a]C[5a]C){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[5]C[5]2C){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]CC){2|C<3>,2|C<4>}	135.5070	0.098	2	135.5070	0.010	2	135.5070	0.010	2	135.4780	2.143	28	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[6]-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]CC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C){1|C<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2C){1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]CC){2|C<3>,2|C<4>}	136.5185	0.360	2	136.1908	0.383	6	136.1537	0.575	10	135.4780	2.143	28	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[6]-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]CC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2C){1|H<1>,1|N<3>,1|O<1>,3|C<3>,3|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]CC){2|C<3>,2|C<4>}	136.4165	0.093	2	136.1908	0.383	6	136.1537	0.575	10	135.4780	2.143	28	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[6]-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]CC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2C){1|H<1>,1|N<3>,1|O<1>,3|C<4>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]CC){2|C<3>,2|C<4>}	136.2880	0.000	1	136.1908	0.383	6	136.1537	0.575	10	135.4780	2.143	28	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[6]-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]CC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2C){1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]CC){2|C<3>,2|C<4>}	134.9870	0.000	1	136.1908	0.383	6	136.1537	0.575	10	135.4780	2.143	28	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[6]-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH){2|C<3>,2|C<4>}	134.5620	0.000	1	135.7085	2.629	2	136.1537	0.575	10	135.4780	2.143	28	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[6]-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH){2|C<3>,2|C<4>}	136.8550	0.000	1	135.7085	2.629	2	136.1537	0.575	10	135.4780	2.143	28	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[6]-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN[6]CH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,2|N<3>,3|C<3>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN[6]CH){1|C<4>,1|H<1>,2|C<3>}	136.4875	0.073	2	136.4875	0.005	2	136.1537	0.575	10	135.4780	2.143	28	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:4:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-4:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cd2)(NC[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]C){2|Cd<8>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCHH){1|H<1>,1|N<2>,1|N<4>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cd2)(NC[5a]){1|C<4>,1|N<2>,2|C<3>}	131.9820	1.026	4	131.9820	1.054	4	131.9820	1.054	4	131.9820	1.054	4	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:4:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5]-4:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[5])(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5]N)(C[6a]C[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[5])(C[5a]C[5a]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5]N)(C[6a]C[6a]O){1|O<1>,2|H<1>,2|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	134.8970	0.000	1	134.8970	0.000	1	134.8970	0.000	1	134.4470	0.405	2	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:4:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6]-4:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6]C[6,6a]N[6]H)(C[6a]C[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6]C[6,6a]N[6]H)(C[6a]C[6a]O){1|N<3>,1|S<4>,3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	133.9970	0.000	1	133.9970	0.000	1	133.9970	0.000	1	134.4470	0.405	2	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a]	3:3:3:	3:4:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6]-4:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6]C[3,6]C[6]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]CC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6]C[3,6]C[6]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,5|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]CC){2|C<3>,2|C<4>}	136.0900	0.000	1	136.0900	0.000	1	136.0900	0.000	1	136.0900	0.000	1	133.6682	6.148	6246	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5,5a]	3:3:2:	3:3:3:	3:3:2:	C[5,5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5,5a]-3:C[5a]-3:S[5]-2:	C[5a](C[5,5a]N[5,5a]S[5])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5,5a]N[5a])(C[6a]C[6a]H)2	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(S[5]C[5])	C[5a](C[5,5a]N[5,5a]S[5])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5,5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(S[5]C[5]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	129.4040	0.000	1	129.4040	0.000	1	129.4040	0.000	1	135.3557	26.653	3	128.6838	10.739	109	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5,5a]	3:3:2:	3:3:3:	3:3:2:	C[5,5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:S[5]-2:	C[5a](C[5,5a]C[5,5a]S[5])(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5,5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5,5a](C[5,5a]C[5a]S[5])(C[5a]C[6a]O[5a])(S[5]C[5])	C[5a](C[5,5a]C[5,5a]S[5])(C[6a]C[6a]2)(O[5a]C[5a]){1|H<1>,1|O<2>,1|S<2>,4|C<3>}	C[6a](C[5a]C[5,5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|S<2>,2|H<1>,3|C<3>}	C[5,5a](C[5,5a]C[5a]S[5])(C[5a]C[6a]O[5a])(S[5]C[5]){1|S<1>,3|C<3>}	138.3315	0.415	2	138.3315	0.172	2	138.3315	0.172	2	135.3557	26.653	3	128.6838	10.739	109	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5,5a]	3:3:2:	3:3:3:	3:3:3:	C[5,5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:N[5,5a]-3:C[5a]-3:	C[5a](C[5,5a]C[5,6a]N[5,5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5,5a]N[5a])(C[6a]C[6a]H)2	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,6]C[5a])(C[5a]C[6a]N[5a])	C[5a](C[5,5a]C[5,6a]N[5,5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5,5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,6]C[5a])(C[5a]C[6a]N[5a]){1|H<1>,7|C<3>}	131.4510	1.789	2	131.4510	3.200	2	131.6196	2.152	5	132.0993	1.264	16	128.6838	10.739	109	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5,5a]	3:3:2:	3:3:3:	3:3:3:	C[5,5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:N[5,5a]-3:C[5a]-3:	C[5a](C[5,5a]C[5,6a]N[5,5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5,5a]N[5a])(C[6a]C[6a]H)2	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]N[5a]C[5])(C[5a]C[6a]N[5a])	C[5a](C[5,5a]C[5,6a]N[5,5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5,5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]N[5a]C[5])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,5|C<3>}	131.7320	1.630	3	131.7320	2.656	3	131.6196	2.152	5	132.0993	1.264	16	128.6838	10.739	109	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5,5a]	3:3:2:	3:3:3:	3:3:3:	C[5,5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5,5a]-3:C[5a]-3:	C[5a](C[5,5a]C[5,5a]2)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5,5a]S[5a])(C[6a]C[6a]H)2	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5a]C[5])(C[5a]C[6a]S[5a])	C[5a](C[5,5a]C[5,5a]2)(C[6a]C[6a]2)(S[5a]C[5a]){3|H<1>,5|C<3>}	C[6a](C[5a]C[5,5a]S[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5a]C[5])(C[5a]C[6a]S[5a]){1|H<1>,1|O<1>,1|S<2>,4|C<3>}	132.4680	0.284	2	132.9605	0.646	4	132.9605	0.646	4	132.0993	1.264	16	128.6838	10.739	109	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5,5a]	3:3:2:	3:3:3:	3:3:3:	C[5,5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5,5a]-3:C[5a]-3:	C[5a](C[5,5a]C[5,5a]2)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5,5a]S[5a])(C[6a]C[6a]H)2	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5a]C[5])(C[5a]C[6a]S[5a])	C[5a](C[5,5a]C[5,5a]2)(C[6a]C[6a]2)(S[5a]C[5a]){3|H<1>,5|C<3>}	C[6a](C[5a]C[5,5a]S[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5a]C[5])(C[5a]C[6a]S[5a]){1|H<1>,1|S<2>,5|C<3>}	133.4530	0.942	2	132.9605	0.646	4	132.9605	0.646	4	132.0993	1.264	16	128.6838	10.739	109	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5,5a]	3:3:2:	3:3:3:	3:3:3:	C[5,5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5,5a]S[5a])(C[6a]C[6a]H)2	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5a]C[6a]S[5a])(C[5]C[5,6a]O)	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(S[5a]C[5a]){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5,5a]S[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5a]C[6a]S[5a])(C[5]C[5,6a]O){5|C<3>}	131.4670	0.000	1	131.4670	0.000	1	131.7955	0.627	6	132.0993	1.264	16	128.6838	10.739	109	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5,5a]	3:3:2:	3:3:3:	3:3:3:	C[5,5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5,5a]S[5a])(C[6a]C[6a]H)2	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]S[5a])(C[5]N[5]O)	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(S[5a]C[5a]){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5,5a]S[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]S[5a])(C[5]N[5]O){1|C<4>,1|O<1>,3|C<3>}	132.4105	0.482	2	132.4105	0.232	2	131.7955	0.627	6	132.0993	1.264	16	128.6838	10.739	109	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5,5a]	3:3:2:	3:3:3:	3:3:3:	C[5,5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5,5a]S[5a])(C[6a]C[6a]H)2	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]S[5a])(C[5]O[5]O)	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(S[5a]C[5a]){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a]C[5,5a]S[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]S[5a])(C[5]O[5]O){1|C<4>,2|C<3>,2|H<1>}	130.9600	0.226	2	130.9600	0.051	2	131.7955	0.627	6	132.0993	1.264	16	128.6838	10.739	109	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5,5a]	3:3:2:	3:3:3:	3:3:3:	C[5,5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(S[5a]N[5a])	C[6a](C[5a]C[5,5a]S[5a])(C[6a]C[6a]H)2	C[5,5a](C[5,5a]C[5,6]N[5a])(C[5a]C[6a]S[5a])(C[5]O[5]O)	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(S[5a]N[5a]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5,5a]S[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5,5a](C[5,5a]C[5,6]N[5a])(C[5a]C[6a]S[5a])(C[5]O[5]O){2|C<3>,2|C<4>}	132.5650	0.000	1	132.5650	0.000	1	131.7955	0.627	6	132.0993	1.264	16	128.6838	10.739	109	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5,5a]	3:3:2:	3:3:3:	3:3:3:	C[5,5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5a](C[5,5a]C[5,5a]C[5,6a])(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5,5a]S[5a])(C[6a]C[6a]H)2	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5a]C[6a]S[5a])	C[5a](C[5,5a]C[5,5a]C[5,6a])(C[6a]C[6a]2)(S[5a]C[5a]){2|H<1>,6|C<3>}	C[6a](C[5a]C[5,5a]S[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5a]C[6a]S[5a]){1|H<1>,1|O<1>,5|C<3>}	132.8760	0.000	1	132.8760	0.000	1	132.8760	0.000	1	132.0993	1.264	16	128.6838	10.739	109	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5,5a]	3:3:2:	3:3:3:	3:3:4:	C[5,5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5,5a]-3:C[5a]-3:P[5]-4:	C[5a](C[5,5a]N[5,5a]P[5])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5,5a]N[5a])(C[6a]C[6a]H)2	C[5,5a](N[5,5a]N[5a]B[5])(C[5a]C[6a]N[5a])(P[5]C[6a]2N[5])	C[5a](C[5,5a]N[5,5a]P[5])(C[6a]C[6a]2)(N[5a]N[5a]){1|B<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5,5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,1|P<4>,2|H<1>}	C[5,5a](N[5,5a]N[5a]B[5])(C[5a]C[6a]N[5a])(P[5]C[6a]2N[5]){1|H<1>,8|C<3>}	133.5170	0.000	1	133.5170	0.000	1	133.5170	0.000	1	133.6917	3.580	7	128.6838	10.739	109	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5,5a]	3:3:2:	3:3:3:	3:3:4:	C[5,5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5,5a]O[5a])(C[6a]C[6a]H)2	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]O[5a])(C[5]S[5]HH)	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	C[6a](C[5a]C[5,5a]O[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]O[5a])(C[5]S[5]HH){2|H<1>,2|O<1>,3|C<3>}	135.0272	0.509	4	135.0272	0.259	4	135.0272	0.259	4	133.6917	3.580	7	128.6838	10.739	109	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5,5a]	3:3:2:	3:3:3:	3:3:4:	C[5,5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5,5a]S[5a])(C[6a]C[6a]H)2	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]S[5a])(C[5]C[5]HH)	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(S[5a]C[5a]){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5a]C[5,5a]S[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]S[5a])(C[5]C[5]HH){2|C<4>,2|H<1>,3|C<3>}	131.1080	0.430	2	131.1080	0.185	2	131.1080	0.185	2	133.6917	3.580	7	128.6838	10.739	109	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5,5a]	3:3:3:	3:3:2:	3:3:3:	C[5,5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]N[6a])(N[5a]C[5a]H)	C[6a](C[5a]C[5,5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O)	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]N[6a])(N[5a]C[5a]H){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[6a](C[5a]C[5,5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	130.3855	0.378	2	130.3855	0.143	2	130.3855	0.143	2	130.3855	0.143	2	128.6838	10.739	109	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:2:	C[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:S[5]-2:	C[5a](C[5,5a]C[5,5a]S[5])(C[5a]C[6a]S[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5,5a]C[5a])(C[6a]C[6a]H)2	C[5,5a](C[5,5a]S[5a]S[5])(C[5a]C[5a]C[6a])(S[5]C[5])	C[5a](C[5,5a]C[5,5a]S[5])(C[5a]C[6a]S[5a])(C[6a]C[6a]2){1|S<2>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5,5a]C[5a])(C[6a]C[6a]H)2{2|H<1>,2|S<2>,3|C<3>}	C[5,5a](C[5,5a]S[5a]S[5])(C[5a]C[5a]C[6a])(S[5]C[5]){1|S<1>,3|C<3>}	122.6055	0.022	2	122.6055	0.000	2	123.9720	5.602	3	123.9720	5.602	3	128.6838	10.739	109	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:2:	C[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:S[5]-2:	C[5a](C[5,5a]C[5,5a]S[5])(C[5a]S[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5,5a]C[5a])(C[6a]C[6a]H)2	C[5,5a](C[5,5a]S[5a]S[5])(C[5a]C[5a]C[6a])(S[5]C[5])	C[5a](C[5,5a]C[5,5a]S[5])(C[5a]S[5a]H)(C[6a]C[6a]2){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5,5a]C[5a])(C[6a]C[6a]H)2{2|C<3>,2|S<2>,3|H<1>}	C[5,5a](C[5,5a]S[5a]S[5])(C[5a]C[5a]C[6a])(S[5]C[5]){1|H<1>,1|S<1>,2|C<3>}	126.7050	0.000	1	126.7050	0.000	1	123.9720	5.602	3	123.9720	5.602	3	128.6838	10.739	109	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[5a]-3:	C[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)2	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[6a])	C[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[6a]){1|H<1>,7|C<3>}	128.8735	0.906	2	128.8735	0.820	2	128.8735	0.820	2	128.1725	3.448	33	128.6838	10.739	109	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:N[5,5a]-3:C[5a]-3:	C[5a](C[5,5a]C[5,5a]N[5,5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)2	C[5,5a](C[5,5a]C[5a,6a]C[5,5a])(N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C[6a])	C[5a](C[5,5a]C[5,5a]N[5,5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5,5a])(N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C[6a]){1|N<3>,1|O<1>,6|C<3>}	127.6390	0.000	1	127.6390	0.000	1	127.6390	0.000	1	128.1725	3.448	33	128.6838	10.739	109	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5,6a]-3:N[5,5a]-3:C[5a]-3:	C[5a](C[5,5a]C[5,6a]N[5,5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]O)	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C[6a])	C[5a](C[5,5a]C[5,6a]N[5,5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,1|O<2>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]O){1|N<3>,2|H<1>,6|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C[6a]){3|H<1>,6|C<3>}	127.8260	0.000	1	127.8260	0.000	1	127.8260	0.000	1	128.1725	3.448	33	128.6838	10.739	109	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5,5a]C[5a])(C[6a]C[6a]H)2	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5a]C[5a]C[6a])(C[5]C[5,6a]C)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<2>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5,5a]C[5a])(C[6a]C[6a]H)2{1|C<2>,2|C<4>,4|C<3>}	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5a]C[5a]C[6a])(C[5]C[5,6a]C){1|C<2>,5|C<3>}	126.5820	0.000	1	126.5820	0.000	1	127.1943	0.928	6	128.1725	3.448	33	128.6838	10.739	109	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5,5a]C[5a])(C[6a]C[6a]H)2	C[5,5a](C[5,5a]C[5,6a]N[5a])(C[5a]C[5a]C[6a])(C[5]C[5,6a]O)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]N[5a])(C[6a]C[6a]2){1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5,5a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5,5a](C[5,5a]C[5,6a]N[5a])(C[5a]C[5a]C[6a])(C[5]C[5,6a]O){1|N<3>,5|C<3>}	128.2350	0.925	2	128.2350	0.855	2	127.1943	0.928	6	128.1725	3.448	33	128.6838	10.739	109	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5,5a]C[5a])(C[6a]C[6a]H)2	C[5,5a](C[5,5a]C[5,6a]N[5a])(C[5a]C[5a]C[6a])(C[5]C[5,6a]O)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[6a](C[5a]C[5,5a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5,5a](C[5,5a]C[5,6a]N[5a])(C[5a]C[5a]C[6a])(C[5]C[5,6a]O){1|N<3>,5|C<3>}	126.7047	0.511	3	126.7047	0.261	3	127.1943	0.928	6	128.1725	3.448	33	128.6838	10.739	109	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5,5a]C[5a])(C[6a]C[6a]H)2	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])	C[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5,5a]C[5a])(C[6a]C[6a]H)2{1|C<2>,2|C<4>,4|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a]){1|H<1>,2|C<2>,5|C<3>}	127.3120	0.000	1	127.3120	0.000	1	126.5470	1.170	2	128.1725	3.448	33	128.6838	10.739	109	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5,5a]C[5a])(C[6a]C[6a]H)2	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]N[5])(C[5a]C[5a]C[6a])	C[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]N[5a]N)(C[6a]C[6a]2){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5,5a]C[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]N[5])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	125.7820	0.000	1	125.7820	0.000	1	126.5470	1.170	2	128.1725	3.448	33	128.6838	10.739	109	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:N[5,5a]-3:C[5a]-3:	C[5a](C[5,5a]C[5,6a]N[5,5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5,5a]C[5a])(C[6a]C[6a]H)2	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])	C[5a](C[5,5a]C[5,6a]N[5,5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5,5a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	125.7820	0.678	3	125.7820	0.460	3	125.7820	0.460	3	128.1725	3.448	33	128.6838	10.739	109	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5,5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O)	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[6a](C[5a]C[5,5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O){1|O<1>,5|C<3>}	129.1040	0.000	1	129.1040	0.000	1	129.3102	2.497	13	128.1725	3.448	33	128.6838	10.739	109	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5,5a]N[5a])(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O)	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]C){1|F<1>,1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[6a](C[5a]C[5,5a]N[5a])(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O){1|O<1>,2|C<4>,3|C<3>}	128.8300	0.000	1	128.8300	0.000	1	129.3102	2.497	13	128.1725	3.448	33	128.6838	10.739	109	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5,5a]N[5a])(C[6a]C[6a]H)2	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O)	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]C){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[6a](C[5a]C[5,5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O){1|O<1>,2|C<4>,3|C<3>}	128.2993	0.816	6	128.4768	0.800	8	129.3102	2.497	13	128.1725	3.448	33	128.6838	10.739	109	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5,5a]N[5a])(C[6a]C[6a]H)2	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O)	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]C){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[6a](C[5a]C[5,5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O){1|H<1>,1|O<1>,4|C<3>}	129.8790	0.000	1	128.4768	0.800	8	129.3102	2.497	13	128.1725	3.448	33	128.6838	10.739	109	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5,5a]N[5a])(C[6a]C[6a]H)2	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O)	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]C){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[6a](C[5a]C[5,5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O){1|O<1>,5|C<3>}	128.1390	0.000	1	128.4768	0.800	8	129.3102	2.497	13	128.1725	3.448	33	128.6838	10.739	109	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5,5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O)	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[6a](C[5a]C[5,5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){2|H<1>,4|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O){1|O<1>,2|H<1>,3|C<3>}	131.9820	0.000	1	131.9820	0.000	1	129.3102	2.497	13	128.1725	3.448	33	128.6838	10.739	109	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5,5a]N[5a])(C[6a]C[6a]H)2	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O)	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5,5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	131.6510	0.665	2	131.6510	0.442	2	129.3102	2.497	13	128.1725	3.448	33	128.6838	10.739	109	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:N[5,5a]-3:C[5a]-3:	C[5a](C[5,5a]C[5,6a]N[5,5a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5,5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])	C[5a](C[5,5a]C[5,6a]N[5,5a])(C[6a]C[6a]2)(N[5a]C[5a]H){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[6a](C[5a]C[5,5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a]){2|H<1>,2|O<1>,4|C<3>}	131.4770	0.000	1	131.4770	0.000	1	131.4770	0.000	1	128.1725	3.448	33	128.6838	10.739	109	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5a](C[5,5a]C[5,5a]C[5,6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5,5a]N[5a])(C[6a]C[6a]H)2	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])	C[5a](C[5,5a]C[5,5a]C[5,6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[5a]C[5,5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a]){1|O<1>,2|H<1>,5|C<3>}	130.0640	0.000	1	130.0640	0.000	1	130.0640	0.000	1	128.1725	3.448	33	128.6838	10.739	109	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:C[5,5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5,5a]-3:C[5a]-3:	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5,5a]C[5,5a]2)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,5a]C[5,5a])(C[6a]C[6a]H)2	C[5,5a](C[5,5a]C[5,5a]N[5a])(C[5,5a]C[5a,5a]C[5])(C[5a]C[5a,5a]C[6a])	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5,5a]C[5,5a]2)(C[6a]C[6a]2){2|H<1>,2|N<3>,6|C<3>}	C[6a](C[5a]C[5a,5a]C[5,5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,5a](C[5,5a]C[5,5a]N[5a])(C[5,5a]C[5a,5a]C[5])(C[5a]C[5a,5a]C[6a]){1|C<4>,1|N<3>,6|C<3>}	128.3040	0.000	1	128.3040	0.000	1	128.3040	0.000	1	128.1725	3.448	33	128.6838	10.739	109	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:C[5,5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,5a]C[5,5a])(C[6a]C[6a]F)2	C[5,5a](C[5,5a]N[5a,5a]N[5])(C[5a]C[5a,5a]C[6a])(C[5]C[5]H)	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2){1|N<2>,2|F<1>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a,5a]C[5,5a])(C[6a]C[6a]F)2{1|N<3>,2|F<1>,4|C<3>}	C[5,5a](C[5,5a]N[5a,5a]N[5])(C[5a]C[5a,5a]C[6a])(C[5]C[5]H){5|C<3>}	127.1100	0.000	1	127.1100	0.000	1	127.1100	0.000	1	128.1725	3.448	33	128.6838	10.739	109	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]C)2	C[5,5a](C[5,5a]C[5a,6a]C[5,6a])(C[5a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2){2|C<4>,8|C<3>}	C[6a](C[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5,6a])(C[5a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a]){8|C<3>}	124.8890	0.000	1	124.8890	0.000	1	124.8890	0.000	1	128.1725	3.448	33	128.6838	10.739	109	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:4:	C[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5,5a]C[5a])(C[6a]C[6a]H)2	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]C[6a])(C[5]O[5]HH)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]N[5a]N)(C[6a]C[6a]2){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[5a]C[5,5a]C[5a])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]C[6a])(C[5]O[5]HH){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	126.1440	0.000	1	126.1440	0.000	1	126.1440	0.000	1	126.8591	4.951	45	128.6838	10.739	109	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:4:	C[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:S[5]-4:	C[5a](C[5,5a]C[5,5a]S[5])(C[5a]C[6a]S[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5,5a]C[5a])(C[6a]C[6a]H)2	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]C[6a])(S[5]C[5]OO)	C[5a](C[5,5a]C[5,5a]S[5])(C[5a]C[6a]S[5a])(C[6a]C[6a]2){2|H<1>,2|O<1>,6|C<3>}	C[6a](C[5a]C[5,5a]C[5a])(C[6a]C[6a]H)2{1|S<2>,1|S<4>,2|H<1>,3|C<3>}	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]C[6a])(S[5]C[5]OO){5|C<3>}	122.9705	1.668	2	122.9705	2.782	2	122.9705	2.782	2	126.8591	4.951	45	128.6838	10.739	109	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:4:	C[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5,5a]C[5a])(C[6a]C[6a]H)2	C[5,5a](N[5,5a]C[5,6a]C[5a])(C[5a]C[5a]C[6a])(C[5]C[5,6a]CH)	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5a]C[5,5a]C[5a])(C[6a]C[6a]H)2{1|C<2>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,5a](N[5,5a]C[5,6a]C[5a])(C[5a]C[5a]C[6a])(C[5]C[5,6a]CH){1|C<2>,5|C<3>}	127.9660	0.000	1	127.9660	0.000	1	125.0126	2.757	7	126.8591	4.951	45	128.6838	10.739	109	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:4:	C[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5,5a]C[5a])(C[6a]C[6a]H)2	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH)	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]C)(C[6a]C[6a]2){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a]C[5,5a]C[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH){2|C<4>,3|C<3>,3|H<1>}	123.8800	0.000	1	124.7627	0.718	3	125.0126	2.757	7	126.8591	4.951	45	128.6838	10.739	109	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:4:	C[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5,5a]C[5a])(C[6a]C[6a]H)2	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH)	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]C)(C[6a]C[6a]2){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a]C[5,5a]C[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH){3|C<3>,5|H<1>}	124.8390	0.000	1	124.7627	0.718	3	125.0126	2.757	7	126.8591	4.951	45	128.6838	10.739	109	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:4:	C[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5,5a]C[5a])(C[6a]C[6a]H)2	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH)	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]C)(C[6a]C[6a]2){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5a]C[5,5a]C[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH){4|C<3>,4|H<1>}	125.5690	0.000	1	124.7627	0.718	3	125.0126	2.757	7	126.8591	4.951	45	128.6838	10.739	109	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:4:	C[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5,5a]C[5a])(C[6a]C[6a]H)2	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH)	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){2|C<4>,4|H<1>,5|C<3>}	C[6a](C[5a]C[5,5a]C[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH){4|C<3>,4|H<1>}	124.3765	2.126	2	124.3765	4.521	2	125.0126	2.757	7	126.8591	4.951	45	128.6838	10.739	109	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:4:	C[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]S)(C[6a]C[6a]2)	C[6a](C[5a]C[5,5a]C[5a])(C[6a]C[6a]H)2	C[5,5a](N[5,5a]C[5,6a]C[5a])(C[5a]C[5a]C[6a])(C[5]C[5,6a]HH)	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]S)(C[6a]C[6a]2){4|C<3>,5|H<1>}	C[6a](C[5a]C[5,5a]C[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	C[5,5a](N[5,5a]C[5,6a]C[5a])(C[5a]C[5a]C[6a])(C[5]C[5,6a]HH){1|H<1>,1|S<4>,4|C<3>}	124.0810	0.000	1	124.0810	0.000	1	125.0126	2.757	7	126.8591	4.951	45	128.6838	10.739	109	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:4:	C[5,5a]-3:C[6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5a](C[5,5a]N[5,5a]C[5])(C[6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5,5a]C[5a])(C[6a]C[6a]H)	C[5,5a](N[5,5a]N[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH)	C[5a](C[5,5a]N[5,5a]C[5])(C[6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a]){1|N<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5,5a]C[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,2|N<2>,3|C<3>}	C[5,5a](N[5,5a]N[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH){3|C<3>,4|H<1>}	127.0644	1.894	19	127.0644	3.588	19	127.0644	3.588	19	126.8591	4.951	45	128.6838	10.739	109	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:4:	C[5,5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]N)	C[6a](C[5a]C[5,5a]N[5a])(C[6a]C[6a]H)2	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]O[5]HH)	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]N){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a]C[5,5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]O[5]HH){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	129.7160	0.000	1	129.7160	0.000	1	129.7160	0.000	1	126.8591	4.951	45	128.6838	10.739	109	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:4:	C[5,5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,5a,6a]-3:C[5a]-3:C[5]-4:	C[5a](C[5,5a]C[5,5a,6a]C[5])(N[5a]C[5a,6a]S)(C[6a]C[6a]2)	C[6a](C[5a]C[5,5a]N[5a])(C[6a]C[6a]H)2	C[5,5a](C[5,5a,6a]C[5a,6a]C[5,6a])(C[5a]C[6a]N[5a])(C[5]C[6a]C[5]H)	C[5a](C[5,5a]C[5,5a,6a]C[5])(N[5a]C[5a,6a]S)(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5a]C[5,5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[5,5a](C[5,5a,6a]C[5a,6a]C[5,6a])(C[5a]C[6a]N[5a])(C[5]C[6a]C[5]H){1|S<4>,2|H<1>,6|C<3>}	130.9710	0.000	1	130.9710	0.000	1	130.9710	0.000	1	126.8591	4.951	45	128.6838	10.739	109	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:S[5]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]S[5])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]C)2	C[5,5a](C[5,5a]C[5a,6a]C[5,6a])(C[5a]C[5a,6a]C[6a])(S[5]C[5,6a]OO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]S[5])(C[6a]C[6a]2){1|H<1>,2|C<4>,2|O<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]C)2{1|S<4>,2|H<1>,4|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5,6a])(C[5a]C[5a,6a]C[6a])(S[5]C[5,6a]OO){6|C<3>}	129.9770	0.000	1	129.9770	0.000	1	129.9770	0.000	1	126.8591	4.951	45	128.6838	10.739	109	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)2	C[5,5a](N[5,5a]C[5a,6a]C[5,6a])(C[5a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	C[6a](C[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5,6a])(C[5a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a]C){8|C<3>}	128.4830	0.000	1	128.4830	0.000	1	126.7775	0.740	11	126.8591	4.951	45	128.6838	10.739	109	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)2	C[5,5a](N[5,5a]C[5a,6a]C[5,6a])(C[5a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(C[6a]C[6a]2){4|H<1>,7|C<3>}	C[6a](C[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5,6a])(C[5a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a]H){8|C<3>}	125.3670	0.000	1	125.3670	0.000	1	126.7775	0.740	11	126.8591	4.951	45	128.6838	10.739	109	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)2	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C[6a])(C[5]C[5]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(C[6a]C[6a]2){1|C<4>,5|C<3>,5|H<1>}	C[6a](C[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C[6a])(C[5]C[5]HH){1|H<1>,6|C<3>}	126.8676	0.530	5	126.6905	0.325	8	126.7775	0.740	11	126.8591	4.951	45	128.6838	10.739	109	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)2	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C[6a])(C[5]C[5]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(C[6a]C[6a]2){2|C<4>,4|C<3>,5|H<1>}	C[6a](C[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C[6a])(C[5]C[5]HH){2|H<1>,6|C<3>}	126.0990	0.000	1	126.6905	0.325	8	126.7775	0.740	11	126.8591	4.951	45	128.6838	10.739	109	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)2	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C[6a])(C[5]C[5]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(C[6a]C[6a]2){2|C<4>,4|C<3>,5|H<1>}	C[6a](C[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C[6a])(C[5]C[5]HH){3|H<1>,5|C<3>}	126.5435	0.777	2	126.6905	0.325	8	126.7775	0.740	11	126.8591	4.951	45	128.6838	10.739	109	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)2	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C[6a])(C[5]C[6a]C[5]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C[6a])(C[5]C[6a]C[5]H){1|H<1>,1|O<1>,1|P<4>,6|C<3>}	127.1790	0.000	1	127.1790	0.000	1	126.7775	0.740	11	126.8591	4.951	45	128.6838	10.739	109	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:4:	N[5a,5a]-3:C[5,5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)	C[6a](C[5a]N[5a,5a]C[5,5a])(C[6a]C[6a]H)2	C[5,5a](C[5,5a]C[5a,5a]C[5])(C[5a]N[5a,5a]C[6a])(C[5]N[5]HH)	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2){1|N<3>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[5a]N[5a,5a]C[5,5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,5a](C[5,5a]C[5a,5a]C[5])(C[5a]N[5a,5a]C[6a])(C[5]N[5]HH){1|O<1>,1|O<2>,4|C<3>}	131.9080	0.000	1	131.9080	0.000	1	131.0230	1.566	2	126.8591	4.951	45	128.6838	10.739	109	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:4:	N[5a,5a]-3:C[5,5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)	C[6a](C[5a]N[5a,5a]C[5,5a])(C[6a]C[6a]H)2	C[5,5a](C[5,5a]C[5a,5a]C[5])(C[5a]N[5a,5a]C[6a])(C[5]O[5]HH)	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2){2|O<2>,4|H<1>,5|C<3>}	C[6a](C[5a]N[5a,5a]C[5,5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,5a](C[5,5a]C[5a,5a]C[5])(C[5a]N[5a,5a]C[6a])(C[5]O[5]HH){1|O<1>,1|O<2>,3|C<3>}	130.1380	0.000	1	130.1380	0.000	1	131.0230	1.566	2	126.8591	4.951	45	128.6838	10.739	109	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,5a]	3:2:3:	3:3:3:	3:3:3:	C[5a,5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,5a,6]-3:C[5a]-3:	C[5a](C[5a,5a]N[5a,5a,6]C[5a,6a])(N[5a]C[5a,6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a,6]C[5a,6]2)(C[5a]C[6a]N[5a])	C[5a](C[5a,5a]N[5a,5a,6]C[5a,6a])(N[5a]C[5a,6])(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a,6]C[5a,6]2)(C[5a]C[6a]N[5a]){1|H<1>,6|C<3>}	128.6630	0.000	1	128.6630	0.000	1	128.6630	0.000	1	128.9357	0.106	3	127.6616	12.398	81	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,5a]	3:2:3:	3:3:3:	3:3:3:	C[5a,5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,5a,6]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a,5a]N[5a,5a,6]C[5a])(N[5a]C[5a,6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2	C[5a,5a](N[5a,5a,6]C[5a,6]2)(C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[5a,5a]N[5a,5a,6]C[5a])(N[5a]C[5a,6])(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a,5a](N[5a,5a,6]C[5a,6]2)(C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){7|C<3>}	129.0720	0.317	2	129.0720	0.100	2	129.0720	0.100	2	128.9357	0.106	3	127.6616	12.398	81	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,5a]	3:3:2:	3:3:3:	3:3:2:	C[5a,5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a,5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[6a]O[5a])(S[5a]C[5a])	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[6a]C[6a]2)(O[5a]C[5a]){1|H<1>,1|O<2>,1|S<2>,4|C<3>}	C[6a](C[5a]C[5a,5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|S<2>,2|H<1>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[6a]O[5a])(S[5a]C[5a]){1|O<1>,3|C<3>}	139.3685	0.351	2	139.3685	0.124	2	139.3685	0.124	2	139.3685	0.124	2	127.6616	12.398	81	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,5a]	3:3:2:	3:3:3:	3:3:3:	C[5a,5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[5a,5a]-3:	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[5a,5a]N[5a]2)	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[5a,5a]N[5a]2){2|H<1>,5|C<3>}	127.2080	0.894	2	127.2080	0.799	2	127.2080	0.799	2	131.6108	3.811	17	127.6616	12.398	81	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,5a]	3:3:2:	3:3:3:	3:3:3:	C[5a,5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2	C[5a,5a](C[5a]C[6a]N[5a])(C[5a,5a]N[5a]2)(C[5a]N[5a]H)	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a,5a](C[5a]C[6a]N[5a])(C[5a,5a]N[5a]2)(C[5a]N[5a]H){1|C<4>,3|C<3>}	129.9920	0.000	1	129.9920	0.000	1	129.9920	0.000	1	131.6108	3.811	17	127.6616	12.398	81	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,5a]	3:3:2:	3:3:3:	3:3:3:	C[5a,5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a,5a]-3:N[5a]-3:	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2	C[5a,5a](C[5a]C[6a]N[5a])(C[5a,5a]N[5a]2)(N[5a]N[5a]C)	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a,5a](C[5a]C[6a]N[5a])(C[5a,5a]N[5a]2)(N[5a]N[5a]C){3|C<3>}	132.4623	0.931	11	132.4623	0.867	11	132.4623	0.867	11	131.6108	3.811	17	127.6616	12.398	81	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,5a]	3:3:2:	3:3:3:	3:3:3:	C[5a,5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C[5a,5a]-3:	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2	C[5a,5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[5a,5a]N[5a]2)	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a,5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[5a,5a]N[5a]2){5|C<3>}	132.7740	0.000	1	132.7740	0.000	1	132.7740	0.000	1	131.6108	3.811	17	127.6616	12.398	81	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,5a]	3:3:2:	3:3:3:	3:3:3:	C[5a,5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2	C[5a,5a](N[5a,5a]C[5a,6a]N[5a])(C[5a]C[6a]N[5a])(C[5a]C[5a,6a]N)	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a,5a](N[5a,5a]C[5a,6a]N[5a])(C[5a]C[6a]N[5a])(C[5a]C[5a,6a]N){4|C<3>}	132.1850	0.000	1	132.1850	0.000	1	132.1850	0.000	1	131.6108	3.811	17	127.6616	12.398	81	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,5a]	3:3:2:	3:3:3:	3:3:3:	C[5a,5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[6a]C[6a]2)(S[5a]N[5a])	C[6a](C[5a]C[5a,5a]S[5a])(C[6a]C[6a]H)2	C[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[6a]S[5a])(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[6a]C[6a]2)(S[5a]N[5a]){1|S<2>,3|C<3>,3|H<1>}	C[6a](C[5a]C[5a,5a]S[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[6a]S[5a])(C[5a]C[5a]H){1|C<4>,2|C<3>}	130.9310	0.000	1	130.9310	0.000	1	130.9310	0.000	1	131.6108	3.811	17	127.6616	12.398	81	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a,5a,6]-3:C[5a]-3:	C[5a](C[5a,5a]N[5a,5a,6]C[5a,6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a,6]C[5a,6]2)(C[5a]C[5a]C[6a])	C[5a](C[5a,5a]N[5a,5a,6]C[5a,6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,8|C<3>}	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a,6]C[5a,6]2)(C[5a]C[5a]C[6a]){1|H<1>,1|N<2>,6|C<3>}	123.5980	0.000	1	123.5980	0.000	1	123.5980	0.000	1	123.5980	0.000	1	127.6616	12.398	81	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]N[5a,5a]C[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,5a]2)(C[6a]C[6a]H)2	C[5a,5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a,5a]C[6a])(S[5a]C[5a])	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]N[5a,5a]C[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](C[5a]C[5a,5a]2)(C[6a]C[6a]H)2{1|N<3>,1|S<2>,2|H<1>,3|C<3>}	C[5a,5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a,5a]C[6a])(S[5a]C[5a]){1|H<1>,5|C<3>}	128.8440	0.000	1	128.8440	0.000	1	128.8440	0.000	1	125.3954	4.979	16	127.6616	12.398	81	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,5a]-3:C[5a,6]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6]N[5a,6]C[6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,5a]C[5a,6])(C[6a]C[6a]H)2	C[5a,5a](C[5a,5a]N[5a,6]C[5a])(C[5a]C[5a,6]C[6a])(S[5a]C[5a])	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6]N[5a,6]C[6])(C[6a]C[6a]2){1|B<4>,3|H<1>,5|C<3>}	C[6a](C[5a]C[5a,5a]C[5a,6])(C[6a]C[6a]H)2{1|N<3>,1|S<2>,2|H<1>,3|C<3>}	C[5a,5a](C[5a,5a]N[5a,6]C[5a])(C[5a]C[5a,6]C[6a])(S[5a]C[5a]){1|B<4>,5|C<3>}	127.0420	0.474	2	127.0420	0.224	2	127.0420	0.224	2	125.3954	4.979	16	127.6616	12.398	81	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]F)2	C[5a,5a](C[5a]C[5a,6a]C[6a])(C[5a,5a]C[5a,6a]2)(S[5a]C[5a,6a])	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|F<1>,6|C<3>}	C[6a](C[5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]F)2{1|S<2>,2|F<1>,4|C<3>}	C[5a,5a](C[5a]C[5a,6a]C[6a])(C[5a,5a]C[5a,6a]2)(S[5a]C[5a,6a]){6|C<3>}	126.7560	0.000	1	126.7560	0.000	1	126.7560	0.000	1	125.3954	4.979	16	127.6616	12.398	81	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2	C[5a,5a](C[5a,5a]N[5a,6]N[5a])(C[5a]C[5a]C[6a])(N[5a]C[5a,6])	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|O<2>}	C[5a,5a](C[5a,5a]N[5a,6]N[5a])(C[5a]C[5a]C[6a])(N[5a]C[5a,6]){1|H<1>,5|C<3>}	126.7000	0.000	1	126.7000	0.000	1	127.1485	0.402	2	125.3954	4.979	16	127.6616	12.398	81	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2	C[5a,5a](C[5a,5a]N[5a,6a]N[5a])(C[5a]C[5a]C[6a])(N[5a]C[5a,6a])	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|O<2>}	C[5a,5a](C[5a,5a]N[5a,6a]N[5a])(C[5a]C[5a]C[6a])(N[5a]C[5a,6a]){1|H<1>,5|C<3>}	127.5970	0.000	1	127.5970	0.000	1	127.1485	0.402	2	125.3954	4.979	16	127.6616	12.398	81	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C[6a])(S[5a]C[5a])	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2{2|H<1>,2|S<2>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C[6a])(S[5a]C[5a]){1|B<3>,1|H<1>,3|C<3>}	124.3403	0.180	3	123.2468	1.556	6	123.8091	2.372	9	125.3954	4.979	16	127.6616	12.398	81	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C[6a])(S[5a]C[5a])	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2{2|H<1>,2|S<2>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C[6a])(S[5a]C[5a]){2|H<1>,3|C<3>}	121.7220	0.000	1	123.2468	1.556	6	123.8091	2.372	9	125.3954	4.979	16	127.6616	12.398	81	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C[6a])(S[5a]C[5a])	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2{2|H<1>,2|S<2>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C[6a])(S[5a]C[5a]){5|C<3>}	122.3690	0.509	2	123.2468	1.556	6	123.8091	2.372	9	125.3954	4.979	16	127.6616	12.398	81	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]C[6a])(S[5a]C[5a])	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2{1|N<3>,1|S<2>,2|H<1>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]C[6a])(S[5a]C[5a]){1|H<1>,5|C<3>}	125.2615	2.205	2	124.9337	2.754	3	123.8091	2.372	9	125.3954	4.979	16	127.6616	12.398	81	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]C[6a])(S[5a]C[5a])	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2{1|N<3>,1|S<2>,2|H<1>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]C[6a])(S[5a]C[5a]){2|H<1>,4|C<3>}	124.2780	0.000	1	124.9337	2.754	3	123.8091	2.372	9	125.3954	4.979	16	127.6616	12.398	81	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a,5a]N[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]C)	C[6a](C[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2	C[5a,5a](N[5a,5a]C[5a,6a]N[5a])(C[5a]C[6a]N[5a])(N[5a]C[5a,6a])	C[5a](C[5a,5a]N[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]C){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|N<2>}	C[5a,5a](N[5a,5a]C[5a,6a]N[5a])(C[5a]C[6a]N[5a])(N[5a]C[5a,6a]){1|C<4>,4|C<3>}	128.0640	0.000	1	128.0640	0.000	1	128.0640	0.000	1	125.3954	4.979	16	127.6616	12.398	81	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:C[5,5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5,5a]C[5,5a]2)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,5a]C[5,5a])(C[6a]C[6a]H)2	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5,5a]N[5a])(C[5a]C[5,5a]C[6a])	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5,5a]C[5,5a]2)(C[6a]C[6a]2){2|H<1>,2|N<3>,6|C<3>}	C[6a](C[5a]C[5a,5a]C[5,5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5,5a]N[5a])(C[5a]C[5,5a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	125.1610	0.000	1	125.1610	0.000	1	125.1610	0.000	1	126.3748	3.501	42	127.6616	12.398	81	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:C[5,5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,5a]C[5,5a])(C[6a]C[6a]F)2	C[5a,5a](N[5a,5a]C[5,5a]C[5a])(C[5a]C[5,5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2){1|N<2>,2|F<1>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a,5a]C[5,5a])(C[6a]C[6a]F)2{1|N<3>,2|F<1>,4|C<3>}	C[5a,5a](N[5a,5a]C[5,5a]C[5a])(C[5a]C[5,5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<2>,4|C<3>}	127.2450	0.000	1	127.2450	0.000	1	127.2450	0.000	1	126.3748	3.501	42	127.6616	12.398	81	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:C[5a,5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]N[5a,5a]C[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,5a]2)(C[6a]C[6a]F)2	C[5a,5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a,5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]N[5a,5a]C[5a])(C[6a]C[6a]2){1|N<3>,2|F<1>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a,5a]2)(C[6a]C[6a]F)2{1|N<3>,2|F<1>,4|C<3>}	C[5a,5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a,5a]C[6a])(C[5a]C[5a]H){1|C<4>,5|C<3>}	126.9620	0.710	2	126.9620	0.504	2	127.5747	0.447	10	126.3748	3.501	42	127.6616	12.398	81	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:C[5a,5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]N[5a,5a]C[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,5a]2)(C[6a]C[6a]H)2	C[5a,5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a,5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]N[5a,5a]C[5a])(C[6a]C[6a]2){1|N<3>,4|H<1>,5|C<3>}	C[6a](C[5a]C[5a,5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a,5a]C[6a])(C[5a]C[5a]H){1|Mn<6>,5|C<3>}	128.1340	0.000	1	127.7279	0.368	8	127.5747	0.447	10	126.3748	3.501	42	127.6616	12.398	81	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:C[5a,5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]N[5a,5a]C[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,5a]2)(C[6a]C[6a]H)2	C[5a,5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a,5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]N[5a,5a]C[5a])(C[6a]C[6a]2){1|N<3>,4|H<1>,5|C<3>}	C[6a](C[5a]C[5a,5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a,5a]C[6a])(C[5a]C[5a]H){1|Re<6>,5|C<3>}	127.9227	0.346	3	127.7279	0.368	8	127.5747	0.447	10	126.3748	3.501	42	127.6616	12.398	81	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:C[5a,5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]N[5a,5a]C[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,5a]2)(C[6a]C[6a]H)2	C[5a,5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a,5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]N[5a,5a]C[5a])(C[6a]C[6a]2){1|N<3>,4|H<1>,5|C<3>}	C[6a](C[5a]C[5a,5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a,5a]C[6a])(C[5a]C[5a]H){1|Ru<6>,5|C<3>}	127.4803	0.778	4	127.7279	0.368	8	127.5747	0.447	10	126.3748	3.501	42	127.6616	12.398	81	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:C[5a,5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]N[5a,5a]C[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,5a]2)(C[6a]C[6a]F)2	C[5a,5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a,5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]N[5a,5a]C[5a])(C[6a]C[6a]2){1|N<3>,2|F<1>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a,5a]2)(C[6a]C[6a]F)2{1|N<3>,2|F<1>,4|C<3>}	C[5a,5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a,5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	127.1190	0.611	2	127.1190	0.373	2	126.7991	0.314	11	126.3748	3.501	42	127.6616	12.398	81	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:C[5a,5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]N[5a,5a]C[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,5a]2)(C[6a]C[6a]H)2	C[5a,5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a,5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]N[5a,5a]C[5a])(C[6a]C[6a]2){1|N<3>,4|H<1>,5|C<3>}	C[6a](C[5a]C[5a,5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a,5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	126.7649	0.588	8	126.7649	0.346	8	126.7991	0.314	11	126.3748	3.501	42	127.6616	12.398	81	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:C[5a,5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]N[5a,5a]C[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,5a]2)(C[6a]C[6a]H)2	C[5a,5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a,5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]N[5a,5a]C[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](C[5a]C[5a,5a]2)(C[6a]C[6a]H)2{1|N<3>,1|S<2>,2|H<1>,3|C<3>}	C[5a,5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a,5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|S<2>,4|C<3>}	126.4330	0.000	1	126.4330	0.000	1	126.7991	0.314	11	126.3748	3.501	42	127.6616	12.398	81	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2{1|N<3>,1|S<2>,2|H<1>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C[6a])(N[5a]C[5a]H){5|C<3>}	124.2020	0.608	2	124.2020	0.370	2	124.2020	0.370	2	126.3748	3.501	42	127.6616	12.398	81	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:N[5a,6]-3:C[5a]-3:	C[5a](C[5a,5a]C[5a,5a]N[5a,6])(C[5a]C[6a]S[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2	C[5a,5a](C[5a,5a]C[5a]S[5a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6a])	C[5a](C[5a,5a]C[5a,5a]N[5a,6])(C[5a]C[6a]S[5a])(C[6a]C[6a]2){1|B<4>,2|H<1>,6|C<3>}	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2{1|N<3>,1|S<2>,2|H<1>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a]S[5a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6a]){1|N<3>,2|F<1>,5|C<3>}	127.1485	2.825	2	127.1485	7.980	2	127.1485	7.980	2	126.3748	3.501	42	127.6616	12.398	81	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]S[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a])	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]S[5a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|O<2>,1|S<2>,3|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a]){1|H<1>,2|C<4>,4|C<3>}	123.8760	0.000	1	122.3738	1.695	4	123.1468	2.638	6	126.3748	3.501	42	127.6616	12.398	81	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]S[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a])	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]S[5a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2{1|S<2>,2|H<1>,4|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a]){2|H<1>,5|C<3>}	121.8730	1.019	3	122.3738	1.695	4	123.1468	2.638	6	126.3748	3.501	42	127.6616	12.398	81	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]S[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a])	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]S[5a]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2{1|S<2>,3|C<3>,3|H<1>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	124.0100	0.000	1	124.0100	0.000	1	123.1468	2.638	6	126.3748	3.501	42	127.6616	12.398	81	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]S[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a])	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]S[5a]N)(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2{1|N<3>,1|S<2>,2|H<1>,3|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	125.3760	0.000	1	125.3760	0.000	1	123.1468	2.638	6	126.3748	3.501	42	127.6616	12.398	81	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,5a,6]-3:C[5a]-3:	C[5a](C[5a,5a]N[5a,5a,6]C[5a,6a])(C[5a]C[5a,6]C[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]B)(C[6a]C[6a]H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a,6]C[5a,6]2)(C[5a]C[5a]C[6a])	C[5a](C[5a,5a]N[5a,5a,6]C[5a,6a])(C[5a]C[5a,6]C[5a])(C[6a]C[6a]2){1|B<3>,1|H<1>,1|N<2>,1|S<2>,6|C<3>}	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]B)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a,6]C[5a,6]2)(C[5a]C[5a]C[6a]){1|H<1>,7|C<3>}	126.2520	0.000	1	126.2520	0.000	1	126.6640	2.152	3	126.3748	3.501	42	127.6616	12.398	81	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,5a,6]-3:C[5a]-3:	C[5a](C[5a,5a]N[5a,5a,6]C[5a,6a])(C[5a]C[5a,6]C[6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]B)(C[6a]C[6a]H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a,6]C[5a,6]2)(C[5a]C[5a]C[6a])	C[5a](C[5a,5a]N[5a,5a,6]C[5a,6a])(C[5a]C[5a,6]C[6])(C[6a]C[6a]2){1|B<4>,1|H<1>,1|N<3>,7|C<3>}	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]B)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a,6]C[5a,6]2)(C[5a]C[5a]C[6a]){1|H<1>,7|C<3>}	126.8700	2.012	2	126.8700	4.050	2	126.6640	2.152	3	126.3748	3.501	42	127.6616	12.398	81	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,5a,6]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a,5a]N[5a,5a,6]C[5a])(C[5a]C[5a,6]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2	C[5a,5a](N[5a,5a,6]C[5a,6]2)(C[5a]C[5a]C[6a])2	C[5a](C[5a,5a]N[5a,5a,6]C[5a])(C[5a]C[5a,6]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,5a](N[5a,5a,6]C[5a,6]2)(C[5a]C[5a]C[6a])2{1|H<1>,7|C<3>}	126.1650	0.000	1	126.1650	0.000	1	126.6148	0.994	5	126.3748	3.501	42	127.6616	12.398	81	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,5a,6]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a,5a]N[5a,5a,6]C[5a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2	C[5a,5a](N[5a,5a,6]C[5a,6]2)(C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[5a,5a]N[5a,5a,6]C[5a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,7|C<3>}	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,5a](N[5a,5a,6]C[5a,6]2)(C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){7|C<3>}	127.6820	0.154	2	127.6820	0.024	2	126.6148	0.994	5	126.3748	3.501	42	127.6616	12.398	81	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,5a,6]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a,5a]N[5a,5a,6]C[5a])(C[5a]C[5a,6]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2	C[5a,5a](N[5a,5a,6]C[5a,6]2)(C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,5a]N[5a,5a,6]C[5a])(C[5a]C[5a,6]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a,5a](N[5a,5a,6]C[5a,6]2)(C[5a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,5|C<3>}	125.9350	0.000	1	125.9350	0.000	1	126.6148	0.994	5	126.3748	3.501	42	127.6616	12.398	81	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,5a,6]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a,5a]N[5a,5a,6]C[5a])(C[5a]C[5a,6]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2	C[5a,5a](N[5a,5a,6]C[5a,6]2)(C[5a]C[5a]C[6a])2	C[5a](C[5a,5a]N[5a,5a,6]C[5a])(C[5a]C[5a,6]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a,5a](N[5a,5a,6]C[5a,6]2)(C[5a]C[5a]C[6a])2{1|H<1>,7|C<3>}	125.6100	0.000	1	125.6100	0.000	1	126.6148	0.994	5	126.3748	3.501	42	127.6616	12.398	81	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2	C[5a,5a](C[5a]C[6a]N[5a])(C[5a,5a]C[5a]2)(C[5a]N[5a]N)	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){1|N<3>,2|H<1>,2|N<2>,3|C<3>}	C[6a](C[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5a,5a](C[5a]C[6a]N[5a])(C[5a,5a]C[5a]2)(C[5a]N[5a]N){1|N<2>,2|C<4>,3|C<3>}	130.1500	0.000	1	130.1500	0.000	1	130.1500	0.000	1	126.3748	3.501	42	127.6616	12.398	81	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:2:3:	3:3:3:	3:3:3:	C[5a,6]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[5a](C[5a,6]N[5a,5a,6]C[6])(N[5a]C[5a,5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[6a]N[5a])(C[6]C[6]H)	C[5a](C[5a,6]N[5a,5a,6]C[6])(N[5a]C[5a,5a])(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[6a]N[5a])(C[6]C[6]H){1|H<1>,5|C<3>}	126.4560	0.000	1	126.4560	0.000	1	126.4560	0.000	1	134.9137	53.814	3	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:2:3:	3:3:3:	3:3:3:	C[5a,6]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6,6a]-3:C[6,6a]-3:C[5a]-3:	C[5a](C[5a,6]C[5a,6,6a]C[6,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]O[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[6a]O[5a])	C[5a](C[5a,6]C[5a,6,6a]C[6,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6]O[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[6a]O[5a]){1|O<2>,7|C<3>}	139.1425	0.573	2	139.1425	0.329	2	139.1425	0.329	2	134.9137	53.814	3	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:2:3:	3:3:3:	3:3:4:	C[5a,6]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6,6]-3:C[5a]-3:C[6]-4:	C[5a](C[5a,6]C[5a,6,6]C[6])(O[5a]C[5a,6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]O[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a]C[6a]O[5a])(C[6]C[6a]C[6]H)	C[5a](C[5a,6]C[5a,6,6]C[6])(O[5a]C[5a,6])(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6]O[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a]C[6a]O[5a])(C[6]C[6a]C[6]H){1|O<1>,2|C<4>,5|C<3>}	135.6270	0.000	1	135.6270	0.000	1	135.6270	0.000	1	135.6270	0.000	1	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:2:3:	3:3:3:	3:4:3:	C[5a,6]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6,6a]-3:C[5,6]-4:C[5a]-3:	C[5a](C[5a,6]C[5a,6,6a]C[5,6])(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]O[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,6a]C[6,6a]C[5])(C[5a]C[6a]O[5a])	C[5a](C[5a,6]C[5a,6,6a]C[5,6])(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](C[5a]C[5a,6]O[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,6a]C[6,6a]C[5])(C[5a]C[6a]O[5a]){1|N<3>,1|O<1>,8|C<3>}	137.1020	1.327	2	137.1020	1.760	2	137.1020	1.760	2	137.1020	1.760	2	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:2:3:	3:3:3:	4:3:3:	C[5a,6]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5a,6,6]-3:C[5a]-3:	C[5a](C[5a,6]C[5a,6,6]C[5,6])(O[5a]C[5a,6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]O[5a])(C[6a]C[6a]H)2	C[5a,6](C[5,6]C[5,6a]O[5,6]C[6a])(C[5a,6,6]C[5a,6]C[6,6])(C[5a]C[6a]O[5a])	C[5a](C[5a,6]C[5a,6,6]C[5,6])(O[5a]C[5a,6])(C[6a]C[6a]2){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6]O[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5,6]C[5,6a]O[5,6]C[6a])(C[5a,6,6]C[5a,6]C[6,6])(C[5a]C[6a]O[5a]){1|C<4>,1|H<1>,1|O<2>,7|C<3>}	136.4920	0.000	1	136.6405	0.044	2	136.6405	0.044	2	136.6405	0.044	2	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:2:3:	3:3:3:	4:3:3:	C[5a,6]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5a,6,6]-3:C[5a]-3:	C[5a](C[5a,6]C[5a,6,6]C[5,6])(O[5a]C[5a,6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]O[5a])(C[6a]C[6a]H)2	C[5a,6](C[5,6]C[5,6a]O[5,6]C[6a])(C[5a,6,6]C[5a,6]C[6,6])(C[5a]C[6a]O[5a])	C[5a](C[5a,6]C[5a,6,6]C[5,6])(O[5a]C[5a,6])(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6]O[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5,6]C[5,6a]O[5,6]C[6a])(C[5a,6,6]C[5a,6]C[6,6])(C[5a]C[6a]O[5a]){1|H<1>,3|C<4>,6|C<3>}	136.7890	0.000	1	136.6405	0.044	2	136.6405	0.044	2	136.6405	0.044	2	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:2:	3:3:2:	C[5a,6]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]N[6a])(S[5a]C[5a])	C[6a](C[5a]C[5a,6]S[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[6a]S[5a])(O[6]C[6])	C[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]N[6a])(S[5a]C[5a]){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a]C[5a,6]S[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<2>,4|C<3>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[6a]S[5a])(O[6]C[6]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	129.9430	0.939	2	129.8988	0.486	16	129.8988	0.486	16	129.8988	0.486	16	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:2:	3:3:2:	C[5a,6]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]N[6a])(S[5a]C[5a])	C[6a](C[5a]C[5a,6]S[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[6a]S[5a])(O[6]C[6])	C[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]N[6a])(S[5a]C[5a]){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a]C[5a,6]S[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[6a]S[5a])(O[6]C[6]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	129.7620	0.786	10	129.8988	0.486	16	129.8988	0.486	16	129.8988	0.486	16	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:2:	3:3:2:	C[5a,6]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]N[6a])(S[5a]C[5a])	C[6a](C[5a]C[5a,6]S[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[6a]S[5a])(O[6]C[6])	C[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]N[6a])(S[5a]C[5a]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a,6]S[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<2>,4|C<3>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[6a]S[5a])(O[6]C[6]){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	130.2185	0.285	4	129.8988	0.486	16	129.8988	0.486	16	129.8988	0.486	16	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:2:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:S[6]-2:	C[5a](C[5a,6]N[5a,6]S[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[6a]N[5a])(S[6]C[6])	C[5a](C[5a,6]N[5a,6]S[6])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[6a]N[5a])(S[6]C[6]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	130.1500	0.000	1	130.1500	0.000	1	130.1500	0.000	1	129.3145	4.481	14	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:2:	C[5a,6]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:N[6]-2:	C[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a,6]O[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[6a]O[5a])(N[6]N[6])	C[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a,6]O[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[6a]O[5a])(N[6]N[6]){1|H<1>,1|N<3>,4|C<3>}	135.3130	0.000	1	135.3130	0.000	1	135.3130	0.000	1	129.3145	4.481	14	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:2:	C[5a,6]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[5a,6a]C[6a])(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a,6]S[5a])(C[6a]C[6a]H)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[6a]S[5a])(O[6]C[6])	C[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[5a,6a]C[6a])(S[5a]C[5a]){1|Br<1>,1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a,6]S[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,3|C<3>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[6a]S[5a])(O[6]C[6]){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	128.3735	0.278	2	128.1473	0.244	7	128.1473	0.244	7	129.3145	4.481	14	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:2:	C[5a,6]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[5a,6a]C[6a])(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a,6]S[5a])(C[6a]C[6a]H)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[6a]S[5a])(O[6]C[6])	C[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[5a,6a]C[6a])(S[5a]C[5a]){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a,6]S[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,3|C<3>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[6a]S[5a])(O[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	128.5140	0.714	2	128.1473	0.244	7	128.1473	0.244	7	129.3145	4.481	14	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:2:	C[5a,6]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[5a,6a]C[6a])(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a,6]S[5a])(C[6a]C[6a]H)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[6a]S[5a])(O[6]C[6])	C[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[5a,6a]C[6a])(S[5a]C[5a]){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a,6]S[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,1|S<2>,3|C<3>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[6a]S[5a])(O[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	127.6090	0.000	1	128.1473	0.244	7	128.1473	0.244	7	129.3145	4.481	14	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:2:	C[5a,6]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[5a,6a]C[6a])(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a,6]S[5a])(C[6a]C[6a]H)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[6a]S[5a])(O[6]C[6])	C[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[5a,6a]C[6a])(S[5a]C[5a]){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a,6]S[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,2|O<2>,3|C<3>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[6a]S[5a])(O[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	127.8235	0.057	2	128.1473	0.244	7	128.1473	0.244	7	129.3145	4.481	14	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:2:	C[5a,6]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a,6]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[6a]S[5a])(O[6]C[6])	C[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[5a]C[5a,6]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|O<2>,3|C<3>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[6a]S[5a])(O[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	127.5370	0.000	1	127.5370	0.000	1	129.8667	4.342	3	129.3145	4.481	14	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:2:	C[5a,6]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a,6]S[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[6a]S[5a])(O[6]C[6])	C[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(S[5a]C[5a]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a,6]S[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[6a]S[5a])(O[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	131.0315	0.738	2	131.0315	0.544	2	129.8667	4.342	3	129.3145	4.481	14	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:2:	C[5a,6]-3:C[6a]-3:S[5a]-2:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a,6a]C[6a])(S[5a]C[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6]S[5a])(C[6a]C[6a]H)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[6a]S[5a])(O[6]C[6])	C[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a,6a]C[6a])(S[5a]C[5a]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6]S[5a])(C[6a]C[6a]H){1|H<1>,1|O<2>,6|C<3>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[6a]S[5a])(O[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	129.1545	0.964	2	129.1545	0.929	2	129.1545	0.929	2	129.3145	4.481	14	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a](C[5a,6]C[5a,6]2)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a,6]N[5a])(C[5a,6]O[5a]C[6])(C[5a]C[6a]N[5a])	C[5a](C[5a,6]C[5a,6]2)(C[6a]C[6a]2)(N[5a]O[5a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6]N[5a])(C[5a,6]O[5a]C[6])(C[5a]C[6a]N[5a]){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	131.7210	0.000	1	131.7210	0.000	1	131.7210	0.000	1	132.1672	5.309	18	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[6a]N[5a])(C[6]N[6]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[6a]N[5a])(C[6]N[6]H){1|C<4>,1|H<1>,4|C<3>}	131.5210	0.000	1	131.5210	0.000	1	131.6701	4.737	9	132.1672	5.309	18	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]C[6])(C[6a]C[6a]O)	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[6a]N[5a])(C[6]C[6]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]O[5a]){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]C[6])(C[6a]C[6a]O){2|H<1>,3|C<3>,4|O<2>}	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[6a]N[5a])(C[6]C[6]O){1|H<1>,2|O<2>,3|C<3>}	127.6070	0.000	1	129.0040	1.604	3	131.6701	4.737	9	132.1672	5.309	18	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]C[6])(C[6a]C[6a]O)	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[6a]N[5a])(C[6]C[6]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]O[5a]){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]C[6])(C[6a]C[6a]O){3|C<3>,3|H<1>,3|O<2>}	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[6a]N[5a])(C[6]C[6]O){1|H<1>,2|O<2>,3|C<3>}	129.7025	0.530	2	129.0040	1.604	3	131.6701	4.737	9	132.1672	5.309	18	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[6a]N[5a])(C[6]C[6]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]O[5a]){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[6a]N[5a])(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	133.3375	0.111	4	133.2996	0.016	5	131.6701	4.737	9	132.1672	5.309	18	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[6a]N[5a])(C[6]C[6]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]O[5a]){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[6a]N[5a])(C[6]C[6]O){1|C<4>,3|C<3>,3|H<1>}	133.1480	0.000	1	133.2996	0.016	5	131.6701	4.737	9	132.1672	5.309	18	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5a,6]-3:C[5a]-3:	C[5a](C[5a,6]C[5a,6]N[5a,6])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a]C[6])(C[5a]C[6a]N[5a])	C[5a](C[5a,6]C[5a,6]N[5a,6])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a]C[6])(C[5a]C[6a]N[5a]){2|C<4>,2|H<1>,5|C<3>}	129.7740	0.000	1	129.7740	0.000	1	129.7740	0.000	1	132.1672	5.309	18	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(C[5a]C[6a]N[5a])	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(C[5a]C[6a]N[5a]){1|H<1>,1|N<2>,5|C<3>}	131.2430	0.000	1	131.2430	0.000	1	131.2430	0.000	1	132.1672	5.309	18	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](N[5a,6]C[5a]N[6])(C[5a]C[6a]N[5a])(C[6]C[6]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]N[6])(C[5a]C[6a]N[5a])(C[6]C[6]C){1|Ir<6>,1|H<1>,1|N<3>,3|C<3>}	130.5220	0.000	1	130.5220	0.000	1	133.0973	5.013	3	132.1672	5.309	18	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](N[5a,6]C[6,6a]N[5a])(C[5a]C[6a]N[5a])(C[6]O[6]N)	C[5a](C[5a,6]N[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[6,6a]N[5a])(C[5a]C[6a]N[5a])(C[6]O[6]N){4|C<3>}	134.1880	0.000	1	134.1880	0.000	1	133.0973	5.013	3	132.1672	5.309	18	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]O[6]O)	C[5a](C[5a,6]N[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]O[6]O){1|C<4>,2|C<3>,2|H<1>}	134.5820	0.000	1	134.5820	0.000	1	133.0973	5.013	3	132.1672	5.309	18	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:N[6]-3:	C[5a](C[5a,6]N[5a,6]N[6])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](N[5a,6]C[6,6a]N[5a])(C[5a]C[6a]N[5a])(N[6]S[6]C)	C[5a](C[5a,6]N[5a,6]N[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,2|H<1>,2|N<3>}	C[5a,6](N[5a,6]C[6,6a]N[5a])(C[5a]C[6a]N[5a])(N[6]S[6]C){2|O<1>,4|C<3>}	132.0200	0.000	1	132.0200	0.000	1	132.0200	0.000	1	132.1672	5.309	18	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a,6]O[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[6a]O[5a])(C[6]C[6]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(O[5a]C[5a]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5a]C[5a,6]O[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[6a]O[5a])(C[6]C[6]O){2|C<3>,2|C<4>,4|H<1>}	137.7080	0.000	1	137.7080	0.000	1	137.7080	0.000	1	132.1672	5.309	18	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(S[5a]N[5a])	C[6a](C[5a]C[5a,6]S[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[6a]S[5a])(C[6]O[6]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(S[5a]N[5a]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a,6]S[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[6a]S[5a])(C[6]O[6]O){1|C<4>,2|C<3>,2|H<1>}	132.2200	0.000	1	132.2200	0.000	1	132.2200	0.000	1	132.1672	5.309	18	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:4:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[6a]N[5a])(C[6]C[6]HH)	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[6a]N[5a])(C[6]C[6]HH){3|H<1>,4|C<3>}	129.6800	0.000	1	129.6800	0.000	1	129.5695	1.171	8	131.3362	6.114	20	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:4:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[6a]N[5a])(C[6]O[6]HH)	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,1|S<4>,3|C<3>,4|H<1>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[6a]N[5a])(C[6]O[6]HH){1|S<4>,4|C<3>}	129.4820	0.000	1	129.4820	0.000	1	129.5695	1.171	8	131.3362	6.114	20	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:4:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]N[6]HH)	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]N[6]HH){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	129.9550	0.000	1	130.2915	0.226	2	129.5695	1.171	8	131.3362	6.114	20	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:4:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]N[6]HH)	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]N[6]HH){2|C<4>,2|H<1>,3|C<3>}	130.6280	0.000	1	130.2915	0.226	2	129.5695	1.171	8	131.3362	6.114	20	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:4:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]N[5a]O[6])(C[5a]C[6a]N[5a])(C[6]C[5a]C[6]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]O[6])(C[5a]C[6a]N[5a])(C[6]C[5a]C[6]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	130.5980	0.000	1	130.5980	0.000	1	129.5695	1.171	8	131.3362	6.114	20	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:4:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]N[5a]O[6])(C[5a]C[6a]N[5a])(C[6]C[6a]C[6]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]O[6])(C[5a]C[6a]N[5a])(C[6]C[6a]C[6]H){1|H<1>,6|C<3>}	130.2590	0.000	1	130.2590	0.000	1	129.5695	1.171	8	131.3362	6.114	20	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:4:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]N[6,6]N[5a])(C[5a]C[6a]N[5a])(C[6]C[6a]C[6]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]N[6,6]N[5a])(C[5a]C[6a]N[5a])(C[6]C[6a]C[6]H){1|C<4>,3|H<1>,5|C<3>}	127.9770	0.549	2	127.9770	0.301	2	129.5695	1.171	8	131.3362	6.114	20	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:4:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](C[5a,6]N[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]O[6]HH)	C[5a](C[5a,6]N[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]O[6]HH){1|C<4>,1|H<1>,3|C<3>}	131.2470	0.000	1	131.2470	0.000	1	130.9224	0.579	8	131.3362	6.114	20	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:4:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](C[5a,6]N[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](N[5a,6]C[6,6]N[5a])(C[5a]C[6a]N[5a])(C[6]O[6]HH)	C[5a](C[5a,6]N[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6](N[5a,6]C[6,6]N[5a])(C[5a]C[6a]N[5a])(C[6]O[6]HH){1|H<1>,2|C<3>,2|C<4>}	129.8260	0.000	1	129.8260	0.000	1	130.9224	0.579	8	131.3362	6.114	20	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:4:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](C[5a,6]N[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]C[6]HO)	C[5a](C[5a,6]N[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]C[6]HO){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	131.6110	0.352	2	131.6110	0.124	2	130.9224	0.579	8	131.3362	6.114	20	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:4:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](C[5a,6]N[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]N[6]HH)	C[5a](C[5a,6]N[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]N[6]HH){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	129.8120	0.000	1	129.8120	0.000	1	130.9224	0.579	8	131.3362	6.114	20	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:4:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](C[5a,6]N[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]O[6]CH)	C[5a](C[5a,6]N[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]O[6]CH){1|C<4>,1|H<1>,3|C<3>}	131.0200	0.570	2	131.0200	0.325	2	130.9224	0.579	8	131.3362	6.114	20	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:4:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](C[5a,6]N[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]O[6]HH)	C[5a](C[5a,6]N[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]O[6]HH){1|C<4>,1|H<1>,3|C<3>}	131.2320	0.000	1	131.2320	0.000	1	130.9224	0.579	8	131.3362	6.114	20	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:4:	C[5a,6]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a,6]O[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[6a]O[5a])(C[6]C[6,6a]HH)	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[5a]C[5a,6]O[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[6a]O[5a])(C[6]C[6,6a]HH){1|C<4>,1|O<1>,4|C<3>}	135.3410	0.000	1	135.3410	0.000	1	135.6970	0.504	4	131.3362	6.114	20	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:4:	C[5a,6]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a,6]O[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[6a]O[5a])(C[6]C[6]HH)	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[5a]C[5a,6]O[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[6a]O[5a])(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	134.9940	0.000	1	134.9940	0.000	1	135.6970	0.504	4	131.3362	6.114	20	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:4:	C[5a,6]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a,6]O[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[6a]O[5a])(C[6]C[6a]C[6]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[5a]C[5a,6]O[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[6a]O[5a])(C[6]C[6a]C[6]H){1|O<2>,3|H<1>,5|C<3>}	135.8210	0.000	1	135.8210	0.000	1	135.6970	0.504	4	131.3362	6.114	20	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:4:	C[5a,6]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a,6]O[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[6a]O[5a])(C[6]C[6a]N[6]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(O[5a]C[5a]){1|N<2>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6]O[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[6a]O[5a])(C[6]C[6a]N[6]H){1|C<4>,1|N<2>,5|C<3>}	136.6320	0.000	1	136.6320	0.000	1	135.6970	0.504	4	131.3362	6.114	20	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:4:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5,6]-4:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[5,6])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5,6]C[5]2C[6])(C[5a]C[6a]N[5a])	C[5a](C[5a,6]C[5a,6]C[5,6])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,7|C<3>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5,6]C[5]2C[6])(C[5a]C[6a]N[5a]){3|O<1>,7|C<3>}	128.8040	0.000	1	128.8040	0.000	1	128.8040	0.000	1	128.8040	0.000	1	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	4:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[5,6])(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](C[5,6]C[5,6a]C[6,6a]C[5])(C[5a,6]O[5a]N[6])(C[5a]C[6a]N[5a])	C[5a](C[5a,6]C[5a,6]C[5,6])(C[6a]C[6a]2)(N[5a]O[5a]){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6](C[5,6]C[5,6a]C[6,6a]C[5])(C[5a,6]O[5a]N[6])(C[5a]C[6a]N[5a]){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	130.5240	0.000	1	130.5240	0.000	1	130.5240	0.000	1	132.3427	9.889	10	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	4:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6,6])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](C[6,6]C[6,6]C[6]H)(C[5a,6]N[5a]O[6])(C[5a]C[6a]N[5a])	C[5a](C[5a,6]C[5a,6]C[6,6])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[6,6]C[6,6]C[6]H)(C[5a,6]N[5a]O[6])(C[5a]C[6a]N[5a]){1|C<4>,2|H<1>,5|C<3>}	128.0940	0.000	1	128.0940	0.000	1	130.5925	3.000	4	132.3427	9.889	10	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	4:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6,6])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]C[6a]N[5a])	C[5a](C[5a,6]C[5a,6]C[6,6])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]C[6a]N[5a]){1|C<2>,2|C<4>,5|C<3>}	130.7780	0.000	1	131.1870	0.335	2	130.5925	3.000	4	132.3427	9.889	10	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	4:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6,6])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]C[6a]N[5a])	C[5a](C[5a,6]C[5a,6]C[6,6])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]C[6a]N[5a]){2|C<4>,6|C<3>}	131.5960	0.000	1	131.1870	0.335	2	130.5925	3.000	4	132.3427	9.889	10	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	4:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6,6])(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](C[6,6]C[6,6a]C[6,6]C)(C[5a,6]O[5a]O[6])(C[5a]C[6a]N[5a])	C[5a](C[5a,6]C[5a,6]C[6,6])(C[6a]C[6a]2)(N[5a]O[5a]){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6](C[6,6]C[6,6a]C[6,6]C)(C[5a,6]O[5a]O[6])(C[5a]C[6a]N[5a]){1|H<1>,2|C<4>,4|C<3>}	131.9020	0.000	1	131.9020	0.000	1	130.5925	3.000	4	132.3427	9.889	10	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	4:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6,6]-4:N[5a,6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6,6])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](C[6,6]C[6,6]C[6]O)(N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])	C[5a](C[5a,6]N[5a,6]C[6,6])(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6](C[6,6]C[6,6]C[6]O)(N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a]){3|C<3>,3|C<4>,4|H<1>}	131.6427	1.199	3	131.6427	1.438	3	131.6427	1.438	3	132.3427	9.889	10	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	4:3:3:	C[5a,6]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[5,6])(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a,6]O[5a])(C[6a]C[6a]H)2	C[5a,6](C[5,6]C[5,6a]O[5,6]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[6a]O[5a])	C[5a](C[5a,6]C[5a,6]C[5,6])(C[6a]C[6a]2)(O[5a]C[5a]){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6]O[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5,6]C[5,6a]O[5,6]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[6a]O[5a]){1|H<1>,2|C<4>,7|C<3>}	137.8025	0.688	2	137.8025	0.473	2	137.8025	0.473	2	132.3427	9.889	10	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:3:	3:2:3:	3:3:3:	C[5a,6]-3:C[6a]-3:C[5a]-3:	C[5a]-3:N[6a]-2:C[6a]-3:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[6a]C[6a]N[6a])(C[5a]C[5a,5a]H)	C[6a](C[5a]C[5a,6]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6]C[6]H)	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[6a]C[6a]N[6a])(C[5a]C[5a,5a]H){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6]C[6]H){1|N<2>,2|H<1>,4|C<3>}	125.8240	0.000	1	125.8240	0.000	1	125.8240	0.000	1	125.8240	0.000	1	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:2:	3:3:3:	C[5a,6]-3:C[6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[6a]C[6a]N[6a])(C[5a]C[5a,5a]H)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6]C[6]H)	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[6a]C[6a]N[6a])(C[5a]C[5a,5a]H){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6]C[6]H){1|N<2>,2|H<1>,4|C<3>}	126.0700	0.000	1	126.0700	0.000	1	126.0700	0.000	1	126.0700	0.000	1	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:2:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6,6]-3:C[5a]-3:N[6]-2:	C[5a](C[5a,6]N[5a,6,6]N[6])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a]C[5a]C[6a])(N[6]C[5a,6])	C[5a](C[5a,6]N[5a,6,6]N[6])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]2){1|B<4>,1|N<2>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|N<3>,1|O<2>,3|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a]C[5a]C[6a])(N[6]C[5a,6]){1|N<2>,1|O<2>,2|N<3>,4|C<3>}	123.5812	1.211	6	123.5812	1.466	6	124.2056	3.951	7	125.9759	4.653	39	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:2:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6,6]-3:C[5a]-3:N[6]-2:	C[5a](C[5a,6]N[5a,6,6]N[6])(C[5a]C[5a,6]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a,6](N[5a,6,6]C[5a,6]B[6,6])(C[5a]C[5a]C[6a])(N[6]C[5a,6])	C[5a](C[5a,6]N[5a,6,6]N[6])(C[5a]C[5a,6]H)(C[6a]C[6a]2){1|B<4>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a,6](N[5a,6,6]C[5a,6]B[6,6])(C[5a]C[5a]C[6a])(N[6]C[5a,6]){1|F<1>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	127.9520	0.000	1	127.9520	0.000	1	124.2056	3.951	7	125.9759	4.653	39	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:2:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:N[6]-2:	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(N[6]C[5a,6])	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]C)(C[6a]C[6a]2){1|B<4>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(N[6]C[5a,6]){1|N<3>,2|F<1>,5|C<3>}	121.9770	0.000	1	121.9770	0.000	1	126.7455	3.160	28	125.9759	4.653	39	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:2:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:N[6]-2:	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]C[6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(N[6]C[5a,6])	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]C[6])(C[6a]C[6a]2){1|B<4>,2|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(N[6]C[5a,6]){1|N<3>,2|F<1>,5|C<3>}	125.0150	0.000	1	125.0150	0.000	1	126.7455	3.160	28	125.9759	4.653	39	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:2:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:N[6]-2:	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(N[6]C[5a,6])	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|Br<1>,1|B<4>,1|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|O<2>,3|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(N[6]C[5a,6]){1|N<3>,2|F<1>,5|C<3>}	121.4020	0.000	1	121.4020	0.000	1	126.7455	3.160	28	125.9759	4.653	39	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:2:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:N[6]-2:	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(N[6]C[5a,6])	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|B<4>,1|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,3|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	125.2190	0.000	1	125.2190	0.000	1	126.7455	3.160	28	125.9759	4.653	39	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:2:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:N[6]-2:	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a,6](N[5a,6]B[6,6]C[5a])(C[5a]C[5a]C[6a])(N[6]C[5a,6])	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|B<4>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a,6](N[5a,6]B[6,6]C[5a])(C[5a]C[5a]C[6a])(N[6]C[5a,6]){1|F<1>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	126.8220	0.000	1	126.8220	0.000	1	126.7455	3.160	28	125.9759	4.653	39	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:2:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:N[6]-2:	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(N[6]C[5a,6])	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|B<4>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<3>,2|C<2>,4|C<3>}	127.5285	0.719	2	127.3234	0.955	23	126.7455	3.160	28	125.9759	4.653	39	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:2:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:N[6]-2:	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(N[6]C[5a,6])	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|B<4>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	127.2790	1.071	17	127.3234	0.955	23	126.7455	3.160	28	125.9759	4.653	39	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:2:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:N[6]-2:	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(N[6]C[5a,6])	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|B<4>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<3>,6|C<3>}	127.4095	0.814	4	127.3234	0.955	23	126.7455	3.160	28	125.9759	4.653	39	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:N[6]-2:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]N[6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)2	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[5a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]N[6])(C[6a]C[6a]2){1|B<4>,2|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[5a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|N<3>,2|F<1>,5|C<3>}	122.3915	0.141	2	122.3915	0.020	2	123.6875	2.772	4	125.9759	4.653	39	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:N[6]-2:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]N[6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)2	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[5a]C[5a,6a]C[6a])(N[6]C[6,6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]N[6])(C[6a]C[6a]2){1|B<4>,3|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[5a]C[5a,6a]C[6a])(N[6]C[6,6]){1|N<3>,2|F<1>,5|C<3>}	124.9835	1.257	2	124.9835	1.579	2	123.6875	2.772	4	125.9759	4.653	39	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:C[5a,6]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6]N[5a,6]C[6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,5a]C[5a,6])(C[6a]C[6a]H)2	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[5a]C[5a,5a]C[6a])(C[6]C[5a,6]H)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6]N[5a,6]C[6])(C[6a]C[6a]2){1|B<4>,3|H<1>,5|C<3>}	C[6a](C[5a]C[5a,5a]C[5a,6])(C[6a]C[6a]H)2{1|N<3>,1|S<2>,2|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[5a]C[5a,5a]C[6a])(C[6]C[5a,6]H){1|N<3>,1|S<2>,2|F<1>,4|C<3>}	128.5745	0.281	2	128.5745	0.079	2	128.5745	0.079	2	127.6504	6.862	60	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)2	C[5a,6](C[5a,6]C[5a,6a]N[6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[6a])	C[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,2|C<4>,6|C<3>}	C[6a](C[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	C[5a,6](C[5a,6]C[5a,6a]N[6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[6a]){1|H<1>,1|S<4>,6|C<3>}	131.9870	0.000	1	131.9870	0.000	1	131.9870	0.000	1	127.6504	6.862	60	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)2	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a]){1|C<4>,3|H<1>,6|C<3>}	128.3460	0.000	1	129.4160	0.883	6	129.3489	0.767	7	127.6504	6.862	60	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)2	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a]){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	131.0520	0.000	1	129.4160	0.883	6	129.3489	0.767	7	127.6504	6.862	60	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)2	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a]){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	129.2745	0.413	4	129.4160	0.883	6	129.3489	0.767	7	127.6504	6.862	60	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)2	C[5a,6](C[6,6a]C[6a,6a]C[6,6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6](C[6,6a]C[6a,6a]C[6,6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a]){1|H<1>,1|O<2>,8|C<3>}	128.9460	0.000	1	128.9460	0.000	1	129.3489	0.767	7	127.6504	6.862	60	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6,6a]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6,6a]O){2|C<4>,6|C<3>}	128.8480	0.000	1	128.8480	0.000	1	128.3688	4.802	13	127.6504	6.862	60	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]O[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[5a]C[5a]C[6a])(C[6]C[6]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]O[5a])(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[5a]C[5a]C[6a])(C[6]C[6]O){1|O<1>,5|C<3>}	127.3850	1.882	3	127.3850	3.542	3	128.3688	4.802	13	127.6504	6.862	60	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]O[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6,6a]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]O[5a])(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6,6a]O){1|O<1>,5|C<3>}	126.0210	0.000	1	126.0210	0.000	1	128.3688	4.802	13	127.6504	6.862	60	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]O){1|H<1>,1|N<2>,3|C<3>,3|C<4>}	125.6820	0.000	1	125.6820	0.000	1	128.3688	4.802	13	127.6504	6.862	60	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(C[6a]C[6a]2){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	131.3610	0.000	1	131.3610	0.000	1	128.3688	4.802	13	127.6504	6.862	60	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]C[6a])(C[6]C[6]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(C[6a]C[6a]2){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]C[6a])(C[6]C[6]H){1|Rh<5>,3|C<3>,3|H<1>}	128.2050	0.000	1	127.7655	0.386	2	128.3688	4.802	13	127.6504	6.862	60	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]C[6a])(C[6]C[6]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(C[6a]C[6a]2){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]C[6a])(C[6]C[6]H){1|Rh<5>,3|C<3>,3|H<1>}	127.3260	0.000	1	127.7655	0.386	2	128.3688	4.802	13	127.6504	6.862	60	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]C[6a])(C[6]C[6]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(C[6a]C[6a]2){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]C[6a])(C[6]C[6]O){3|C<3>,4|H<1>}	129.6885	1.623	2	129.6885	2.634	2	128.3688	4.802	13	127.6504	6.862	60	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]C)(C[6a]C[6a]2){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	127.2880	0.000	1	127.2880	0.000	1	128.3688	4.802	13	127.6504	6.862	60	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[5a]C[5a]C[6a])(C[6]C[6]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]H)(C[6a]C[6a]2){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|O<2>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[5a]C[5a]C[6a])(C[6]C[6]O){1|H<1>,1|O<1>,4|C<3>}	132.5310	0.000	1	132.5310	0.000	1	128.3688	4.802	13	127.6504	6.862	60	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5a,6]-3:C[5a]-3:	C[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])	C[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|C<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a]){1|C<2>,1|C<4>,1|N<3>,3|H<1>,4|C<3>}	129.7070	0.000	1	129.7070	0.000	1	127.6035	8.849	2	127.6504	6.862	60	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5a,6]-3:C[5a]-3:	C[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a]C[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])	C[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a]C[5a]N)(C[6a]C[6a]2){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a]){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	125.5000	0.000	1	125.5000	0.000	1	127.6035	8.849	2	127.6504	6.862	60	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[6,6a]-3:C[5a]-3:	C[5a](C[5a,6]C[5a,6]N[6,6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[6,6a]N[5a])(N[6,6a]C[6,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a,6]C[5a,6]N[6,6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{2|C<3>,2|N<3>,3|H<1>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(N[6,6a]C[6,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,2|H<1>,6|C<3>}	132.6830	0.000	1	132.6830	0.000	1	132.6830	0.000	1	127.6504	6.862	60	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a]){1|C<4>,3|H<1>,6|C<3>}	127.0465	0.207	2	127.0465	0.043	2	127.0465	0.043	2	127.6504	6.862	60	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Cl)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Cl)(C[6a]C[6a]2){1|Cl<1>,1|B<4>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|Cl<1>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a]){2|Cl<1>,1|N<3>,2|F<1>,5|C<3>}	130.4580	0.356	2	130.4580	0.127	2	130.4580	0.127	2	127.6504	6.862	60	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[5])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]B)(C[6a]C[6a]H)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6]C[6]H)	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[5])(C[6a]C[6a]2){1|B<4>,1|N<3>,1|S<2>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]B)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6]C[6]H){1|H<1>,6|C<3>}	124.5010	0.000	1	124.5010	0.000	1	124.0973	1.713	6	127.6504	6.862	60	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]B)(C[6a]C[6a]H)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6]C[6]H)	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[5a])(C[6a]C[6a]2){1|B<3>,1|N<2>,1|S<2>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]B)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6]C[6]H){1|H<1>,6|C<3>}	123.9540	0.000	1	123.9540	0.000	1	124.0973	1.713	6	127.6504	6.862	60	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6]C[6]C)	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,7|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6]C[6]C){1|H<1>,1|N<2>,5|C<3>}	126.2570	0.000	1	126.2570	0.000	1	124.0973	1.713	6	127.6504	6.862	60	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6]C[6]H)	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a])(C[6a]C[6a]2){1|N<2>,3|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6]C[6]H){1|H<1>,6|C<3>}	122.2090	0.000	1	122.9870	1.211	2	124.0973	1.713	6	127.6504	6.862	60	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6]C[6]H)	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6]C[6]H){1|H<1>,1|N<2>,5|C<3>}	123.7650	0.000	1	122.9870	1.211	2	124.0973	1.713	6	127.6504	6.862	60	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]B)(C[6a]C[6a]H)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6]C[6]H)	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]H)(C[6a]C[6a]2){1|B<3>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]B)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6]C[6]H){2|H<1>,5|C<3>}	123.8980	0.000	1	123.8980	0.000	1	124.0973	1.713	6	127.6504	6.862	60	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6,6]-3:C[6,6a]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6,6]C[6,6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a,6](N[5a,6,6]C[6,6,6a]C[5a,6])(C[6,6a]C[6,6,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a,6]N[5a,6,6]C[6,6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6,6]C[6,6,6a]C[5a,6])(C[6,6a]C[6,6,6a]C[6a])(C[5a]C[5a]C[6a]){1|O<2>,8|C<3>}	127.1130	0.000	1	127.1130	0.000	1	128.5840	4.328	2	127.6504	6.862	60	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6,6]-3:C[6,6a]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6,6]C[6,6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a,6](N[5a,6,6]C[6,6,6a]C[5a,6])(C[6,6a]C[6,6a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a,6]N[5a,6,6]C[6,6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6,6]C[6,6,6a]C[5a,6])(C[6,6a]C[6,6a,6a]C[6a])(C[5a]C[5a]C[6a]){1|O<2>,8|C<3>}	130.0550	0.000	1	130.0550	0.000	1	128.5840	4.328	2	127.6504	6.862	60	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6,6a]-3:C[6,6a]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6,6a]C[6,6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a,6](N[5a,6,6a]C[6,6a,6a]C[5a,6a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a,6]N[5a,6,6a]C[6,6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,9|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6,6a]C[6,6a,6a]C[5a,6a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,8|C<3>}	127.3740	0.000	1	127.3740	0.000	1	126.8555	2.464	6	127.6504	6.862	60	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6,6a]-3:C[6,6a]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6,6a]C[6,6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a,6](N[5a,6,6a]C[6,6a,6a]C[5a,6a])(C[6,6a]C[6,6,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a,6]N[5a,6,6a]C[6,6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6,6a]C[6,6a,6a]C[5a,6a])(C[6,6a]C[6,6,6a]C[6a])(C[5a]C[5a]C[6a]){1|O<2>,8|C<3>}	125.4360	0.000	1	125.4360	0.000	1	126.8555	2.464	6	127.6504	6.862	60	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6,6a]-3:C[6,6a]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6,6a]C[6,6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a,6](N[5a,6,6a]C[6,6a,6a]C[5a,6a])(C[6,6a]C[6,6a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a,6]N[5a,6,6a]C[6,6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6,6a]C[6,6a,6a]C[5a,6a])(C[6,6a]C[6,6a,6a]C[6a])(C[5a]C[5a]C[6a]){1|O<2>,8|C<3>}	125.1940	0.000	1	125.1940	0.000	1	126.8555	2.464	6	127.6504	6.862	60	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6,6a]-3:C[6,6a]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6,6a]C[6,6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a,6](N[5a,6,6a]C[6,6a,6a]C[5a,6a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a,6]N[5a,6,6a]C[6,6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6,6a]C[6,6a,6a]C[5a,6a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,8|C<3>}	127.7097	1.595	3	127.7097	2.545	3	126.8555	2.464	6	127.6504	6.862	60	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(C[6]C[5a,6]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2){1|B<4>,1|C<2>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(C[6]C[5a,6]C){1|N<3>,2|F<1>,5|C<3>}	127.5380	1.172	2	127.5380	1.374	2	126.3716	4.936	8	127.6504	6.862	60	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(C[6]C[5a,6]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2){1|B<4>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(C[6]C[5a,6]H){1|N<3>,2|F<1>,5|C<3>}	124.8290	2.120	4	124.8290	4.495	4	126.3716	4.936	8	127.6504	6.862	60	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(C[6]C[5,6]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|B<4>,3|C<3>,4|H<1>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(C[6]C[5,6]H){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	128.5020	0.000	1	128.5020	0.000	1	126.3716	4.936	8	127.6504	6.862	60	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6a]N[6])	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6a]N[6]){1|C<4>,3|H<1>,5|C<3>}	128.0790	0.000	1	128.0790	0.000	1	126.3716	4.936	8	127.6504	6.862	60	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:N[6]-3:	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(N[6]C[6,6a]H)	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]N)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|N<3>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(N[6]C[6,6a]H){1|N<3>,2|H<1>,5|C<3>}	125.2053	0.604	3	125.2053	0.365	3	125.2053	0.365	3	127.6504	6.862	60	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[6a]N[5a])(C[6]O[6]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[6a]N[5a])(C[6]O[6]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	131.6060	0.000	1	131.6060	0.000	1	131.6060	0.000	1	127.6504	6.862	60	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:N[6]-3:	C[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]N[5a]H)	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[6a]N[5a])(N[6]S[6]C)	C[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]N[5a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[6a]N[5a])(N[6]S[6]C){1|H<1>,2|O<1>,4|C<3>}	133.2050	0.000	1	133.2050	0.000	1	133.2050	0.000	1	127.6504	6.862	60	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]C[6]O)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[6a]N[5a])(C[6a]C[6a]2){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]C[6]O){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	128.9850	0.000	1	128.9850	0.000	1	128.9850	0.000	1	127.6504	6.862	60	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]N[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(C[6]C[6]O)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]N[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	126.5160	0.000	1	126.5160	0.000	1	126.5160	0.000	1	127.6504	6.862	60	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(C[6]C[6]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(C[6a]C[6a,6a]C[6a]){2|H<1>,8|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]H){1|N<3>,2|H<1>,6|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(C[6]C[6]H){2|H<1>,5|C<3>}	122.9660	0.000	1	122.9660	0.000	1	122.9660	0.000	1	127.6504	6.862	60	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|C<2>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH){1|C<2>,3|H<1>,4|C<3>}	128.3810	0.646	2	128.3810	0.418	2	127.5202	3.426	5	127.1929	4.049	26	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6]O[6]CH)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(C[6a]C[6a]2){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6]O[6]CH){1|C<4>,5|C<3>}	125.3850	0.000	1	125.3850	0.000	1	127.5202	3.426	5	127.1929	4.049	26	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[6,6]N[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[6,6]N[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH){1|C<4>,3|C<3>,4|H<1>}	129.6190	0.000	1	129.6190	0.000	1	127.5202	3.426	5	127.1929	4.049	26	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5,6]S[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]H)(C[6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|C<4>,1|S<2>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5,6]S[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	125.8350	0.000	1	125.8350	0.000	1	127.5202	3.426	5	127.1929	4.049	26	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]CC)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]CC){1|C<4>,3|C<3>,5|H<1>}	127.7925	0.170	2	127.7925	0.029	2	127.8676	1.356	5	127.1929	4.049	26	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]CC)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>,4|C<4>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]CC){1|C<4>,2|C<3>,6|H<1>}	129.6930	0.000	1	129.6930	0.000	1	127.8676	1.356	5	127.1929	4.049	26	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C[6a])(C[6]N[6]CC)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C[6a])(C[6]N[6]CC){3|H<1>,4|C<3>}	127.6000	0.000	1	127.6000	0.000	1	127.8676	1.356	5	127.1929	4.049	26	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a,6](N[5a,6]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6]O[6]HH)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6]O[6]HH){5|C<3>}	126.4600	0.000	1	126.4600	0.000	1	127.8676	1.356	5	127.1929	4.049	26	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[6a]N[5a])(C[6]C[6]HO)	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[6a]N[5a])(C[6]C[6]HO){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	129.2810	0.000	1	129.2810	0.000	1	131.1650	7.099	2	127.1929	4.049	26	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]H)	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[6a]N[5a])(C[6]C[6a]C[6]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[6a]N[5a])(C[6]C[6a]C[6]H){1|C<2>,2|H<1>,5|C<3>}	133.0490	0.000	1	133.0490	0.000	1	131.1650	7.099	2	127.1929	4.049	26	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a,6]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]N[5a,6])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a]N[5a,6]C[6a])(C[6]C[6]HH)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2){1|N<3>,2|C<4>,2|F<1>,3|C<3>,4|H<1>}	C[6a](C[5a]C[5a,6]N[5a,6])(C[6a]C[6a]H)2{1|B<4>,1|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a]N[5a,6]C[6a])(C[6]C[6]HH){1|B<4>,1|C<4>,3|C<3>,4|H<1>}	125.3161	0.658	7	125.3161	0.432	7	125.3161	0.432	7	127.1929	4.049	26	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6,6a]-3:C[5a]-3:C[6]-4:	C[5a](C[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a,6a]S)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(C[6]C[6]HH)	C[5a](C[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a,6a]S)(C[6a]C[6a]2){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(C[6]C[6]HH){1|C<4>,1|S<4>,6|C<3>}	128.0460	0.626	3	128.0460	0.391	3	128.0460	0.391	3	127.1929	4.049	26	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]N[5a,6a]C[6,6a])(C[5a]C[5a,6a]C[6a])(C[6]O[6]HH)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2){1|O<2>,5|C<3>,5|H<1>}	C[6a](C[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]N[5a,6a]C[6,6a])(C[5a]C[5a,6a]C[6a])(C[6]O[6]HH){6|C<3>}	127.5870	0.000	1	127.5870	0.000	1	127.5870	0.000	1	127.1929	4.049	26	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:C[5,6]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[5,6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)2	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[5a]C[5a,6a]C[6a])(C[5,6]C[5,6]C[5]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[5,6])(C[6a]C[6a]2){2|C<4>,4|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[5a]C[5a,6a]C[6a])(C[5,6]C[5,6]C[5]H){3|H<1>,8|C<3>}	128.5200	0.000	1	128.5200	0.000	1	128.5200	0.000	1	127.1929	4.049	26	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(C[6]N[6]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(C[6a]C[6a]2){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[6a](C[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(C[6]N[6]HH){1|C<4>,2|H<1>,5|C<3>}	124.9220	0.000	1	124.9220	0.000	1	124.9220	0.000	1	127.1929	4.049	26	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:Si[6]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]Si[6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)2	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[5a]C[5a,6a]C[6a])(Si[6]C[6]CC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]Si[6])(C[6a]C[6a]2){3|C<4>,3|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)2{1|Si<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[5a]C[5a,6a]C[6a])(Si[6]C[6]CC){2|H<1>,6|C<3>}	125.3660	0.000	1	125.3660	0.000	1	125.3660	0.000	1	127.1929	4.049	26	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[5a,6]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6,6a]-3:C[5,6]-4:C[5a]-3:	C[5a](C[5a,6]C[5a,6,6a]C[5,6])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,6a]2C[6])(C[5a]C[6a]N[5a])	C[5a](C[5a,6]C[5a,6,6a]C[5,6])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,6a]2C[6])(C[5a]C[6a]N[5a]){1|C<4>,1|I<1>,9|C<3>}	130.4020	0.000	1	130.4020	0.000	1	130.4020	0.000	1	130.4020	0.000	1	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	4:3:3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:N[5a,6]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[5,6])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a,6](C[5,6]C[5,6]N[5]H)(N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])	C[5a](C[5a,6]N[5a,6]C[5,6])(C[5a]C[5a]C)(C[6a]C[6a]2){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6](C[5,6]C[5,6]N[5]H)(N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a]){2|C<4>,3|H<1>,6|C<3>}	123.7170	0.000	1	123.7170	0.000	1	123.7170	0.000	1	129.6803	27.726	3	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	4:3:3:	C[5a,6]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6]-4:C[5a,6]-3:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](C[6]C[6,6a]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[6a]N[5a])	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5a,6](C[6]C[6,6a]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[6a]N[5a]){11|C<3>,1|O<2>}	133.6890	0.000	1	133.6890	0.000	1	132.6620	2.109	2	129.6803	27.726	3	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	4:3:3:	C[5a,6]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6]-4:C[5a,6]-3:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](C[6]C[6,6a]C[6a]O)(C[5a,6]C[5a]C[6])(C[5a]C[6a]N[5a])	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,1|O<2>,2|H<1>,7|C<3>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5a,6](C[6]C[6,6a]C[6a]O)(C[5a,6]C[5a]C[6])(C[5a]C[6a]N[5a]){10|C<3>}	131.6350	0.000	1	131.6350	0.000	1	132.6620	2.109	2	129.6803	27.726	3	128.8304	11.926	218	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:2:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a,6a]-3:C[5a]-3:N[6a]-3:	C[5a](C[5a,6a]N[5a,6a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](N[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(N[6a]C[6a]C)	C[5a](C[5a,6a]N[5a,6a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<3>}	C[5a,6a](N[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(N[6a]C[6a]C){6|C<3>}	129.7670	0.000	1	129.7670	0.000	1	129.7670	0.000	1	131.1030	3.825	6	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:2:3:	3:3:3:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a,6a]C[6a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]O[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(C[5a]C[6a]O[5a])	C[5a](C[5a,6a]C[5a,6a,6a]C[6a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]O[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(C[5a]C[6a]O[5a]){1|H<1>,7|C<3>}	134.8810	0.000	1	134.8810	0.000	1	134.8810	0.000	1	131.1030	3.825	6	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:2:3:	3:3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]S[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6a]S[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a]C[6a]S[5a])(C[6a]C[6a]H){1|H<1>,5|C<3>}	129.5010	0.000	1	129.5010	0.000	1	130.4925	0.525	4	131.1030	3.825	6	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:2:3:	3:3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]S[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6a]S[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a]C[6a]S[5a])(C[6a]C[6a]H){1|H<1>,5|C<3>}	130.8230	0.363	3	130.8230	0.132	3	130.4925	0.525	4	131.1030	3.825	6	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:2:	3:2:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[6a]-2:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a,6a]N[5a])(N[6a]C[5,6a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(N[6a]C[5,6a])(N[6a]C[6a]){3|C<3>,3|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	129.2220	0.000	1	129.2220	0.000	1	129.2690	0.602	3	129.2690	0.602	3	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:2:	3:2:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[6a]-2:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a,6a]N[5a])(N[6a]C[6a])2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(N[6a]C[6a])2{3|C<3>,3|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	129.2925	1.095	2	129.2925	1.200	2	129.2690	0.602	3	129.2690	0.602	3	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|I<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	129.5110	0.000	1	129.5480	0.105	3	129.5480	0.105	3	129.5480	0.105	3	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,1|P<3>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	129.2440	0.000	1	129.5480	0.105	3	129.5480	0.105	3	129.5480	0.105	3	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	129.8890	0.000	1	129.5480	0.105	3	129.5480	0.105	3	129.5480	0.105	3	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[5a]C[6a]N[5a])	C[5a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[5a]C[6a]N[5a]){1|H<1>,1|O<2>,6|C<3>}	131.6580	0.000	1	131.6580	0.000	1	131.6580	0.000	1	132.2969	6.274	65	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]F)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]F)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|B<4>,3|F<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]F)2{1|N<3>,2|F<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]F){1|B<4>,2|F<1>,3|C<3>}	128.8935	1.001	2	129.5323	1.725	3	130.7176	1.279	29	132.2969	6.274	65	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]F)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]F)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,3|F<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]F)2{1|N<3>,2|F<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]F){1|H<1>,2|F<1>,3|C<3>}	130.8100	0.000	1	129.5323	1.725	3	130.7176	1.279	29	132.2969	6.274	65	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]F)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|B<4>,1|F<1>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]F){1|B<4>,2|F<1>,3|C<3>}	131.0133	0.848	6	131.3665	0.650	11	130.7176	1.279	29	132.2969	6.274	65	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]F)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|B<4>,1|F<1>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]F){1|B<4>,2|F<1>,3|C<3>}	131.8957	0.756	3	131.3665	0.650	11	130.7176	1.279	29	132.2969	6.274	65	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]F)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|F<1>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]F){1|H<1>,2|F<1>,3|C<3>}	131.6320	0.185	2	131.3665	0.650	11	130.7176	1.279	29	132.2969	6.274	65	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	129.9990	0.663	2	130.0047	0.220	3	130.7176	1.279	29	132.2969	6.274	65	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){4|C<3>,4|H<1>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	130.0160	0.000	1	130.0047	0.220	3	130.7176	1.279	29	132.2969	6.274	65	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a,6a]H){5|C<3>}	129.1900	0.000	1	129.1900	0.000	1	130.7176	1.279	29	132.2969	6.274	65	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,6|C<3>}	131.2570	0.000	1	130.5275	1.064	2	130.7176	1.279	29	132.2969	6.274	65	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	129.7980	0.000	1	130.5275	1.064	2	130.7176	1.279	29	132.2969	6.274	65	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	129.1900	0.000	1	129.1900	0.000	1	130.7176	1.279	29	132.2969	6.274	65	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|H<1>,2|N<2>,3|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a]){1|C<4>,5|C<3>}	131.5605	0.438	2	131.5605	0.192	2	130.7176	1.279	29	132.2969	6.274	65	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]S)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<2>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]S){1|C<4>,4|C<3>}	131.9950	0.000	1	131.9950	0.000	1	130.7176	1.279	29	132.2969	6.274	65	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]N[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|N<2>,3|C<3>,3|H<1>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]N[6a]H){4|C<3>}	130.2580	0.000	1	130.2580	0.000	1	130.7176	1.279	29	132.2969	6.274	65	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a]){3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	129.4330	0.574	2	129.4330	0.330	2	130.7176	1.279	29	132.2969	6.274	65	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[6a]N[5a])(C[6a]O[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a]){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[6a]N[5a])(C[6a]O[6a]O){1|C<4>,3|C<3>}	131.5990	0.000	1	131.7465	0.044	2	130.7176	1.279	29	132.2969	6.274	65	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[6a]N[5a])(C[6a]O[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a]){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[6a]N[5a])(C[6a]O[6a]O){4|C<3>}	131.8940	0.000	1	131.7465	0.044	2	130.7176	1.279	29	132.2969	6.274	65	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a,6a]C[6a,6a]2)(C[5a]C[6a]N[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a,6a]C[6a,6a]2)(C[5a]C[6a]N[5a]){1|C<4>,6|C<3>}	133.9980	0.000	1	133.7850	0.091	2	133.7850	0.091	2	132.2969	6.274	65	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a,6a]C[6a,6a]2)(C[5a]C[6a]N[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a,6a]C[6a,6a]2)(C[5a]C[6a]N[5a]){7|C<3>}	133.5720	0.000	1	133.7850	0.091	2	133.7850	0.091	2	132.2969	6.274	65	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a]){7|C<3>}	131.1540	0.000	1	131.1540	0.000	1	130.2375	1.680	2	132.2969	6.274	65	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a]){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a]){6|C<3>}	129.3210	0.000	1	129.3210	0.000	1	130.2375	1.680	2	132.2969	6.274	65	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a]){1|H<1>,6|C<3>}	130.9720	0.000	1	130.9720	0.000	1	132.2955	3.503	2	132.2969	6.274	65	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a]){1|N<2>,5|C<3>}	133.6190	0.000	1	133.6190	0.000	1	132.2955	3.503	2	132.2969	6.274	65	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){4|C<3>,4|H<1>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	128.7800	0.000	1	128.7800	0.000	1	131.0961	1.663	9	132.2969	6.274	65	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]C)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	131.4342	0.833	5	131.4342	0.694	5	131.0961	1.663	9	132.2969	6.274	65	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]C)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	132.1595	0.284	2	132.1595	0.080	2	131.0961	1.663	9	132.2969	6.274	65	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|P<3>,3|C<3>}	129.5950	0.000	1	129.5950	0.000	1	131.0961	1.663	9	132.2969	6.274	65	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a,6a]O[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a]){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6a]O[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	135.3974	0.274	9	135.3974	0.075	9	135.5831	1.139	15	132.2969	6.274	65	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a,6a]O[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[6a]O[5a])(C[6a]O[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a]){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]O[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[6a]O[5a])(C[6a]O[6a]O){5|C<3>}	139.1440	0.000	1	139.1440	0.000	1	135.5831	1.139	15	132.2969	6.274	65	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O[5a]N[5a])	C[6a](C[5a]C[5a,6a]O[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O[5a]N[5a]){3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]O[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[6a]O[5a])(C[6a]C[6a]H){5|C<3>}	136.0550	0.000	1	136.0550	0.000	1	135.5831	1.139	15	132.2969	6.274	65	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O[5a]N[5a])	C[6a](C[5a]C[5a,6a]O[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O[5a]N[5a]){3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]O[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]O[5a])(C[6a]C[6a]H){1|H<1>,1|I<1>,3|C<3>}	135.3010	0.429	2	135.1923	0.127	3	135.5831	1.139	15	132.2969	6.274	65	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O[5a]N[5a])	C[6a](C[5a]C[5a,6a]O[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O[5a]N[5a]){3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]O[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]O[5a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	134.9750	0.000	1	135.1923	0.127	3	135.5831	1.139	15	132.2969	6.274	65	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O[5a]N[5a])	C[6a](C[5a]C[5a,6a]O[5a])(C[6a]C[6a]O)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O[5a]N[5a]){1|H<1>,2|O<2>,4|C<3>}	C[6a](C[5a]C[5a,6a]O[5a])(C[6a]C[6a]O)2{1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	134.3940	0.000	1	134.3940	0.000	1	135.5831	1.139	15	132.2969	6.274	65	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a,6a]O[5a])(C[6a]C[6a]H)2	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[6a]O[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]O[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[6a]O[5a]){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	137.2415	0.480	2	137.2415	0.231	2	137.2415	0.231	2	132.2969	6.274	65	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a,6a]S[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5,6a]C[5a])(C[5a]C[6a]S[5a])(C[6a]C[6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(S[5a]C[5a]){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]S[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5,6a]C[5a])(C[5a]C[6a]S[5a])(C[6a]C[6a]C){2|C<4>,4|C<3>}	135.7940	0.000	1	135.7940	0.000	1	132.0333	10.611	3	132.2969	6.274	65	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a,6a]S[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(S[5a]C[5a]){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6a]S[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	130.1530	0.086	2	130.1530	0.007	2	132.0333	10.611	3	132.2969	6.274	65	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:2:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:N[6a]-2:O[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]O[6a])(C[5a]N[5a]H)	C[6a](C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(O[6a]C[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]O[6a])(C[5a]N[5a]H){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(O[6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,4|H<1>}	127.2250	0.000	1	127.2250	0.000	1	127.2250	0.000	1	127.2250	0.000	1	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:2:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a])	C[6a](C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a]){1|N<2>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]N[6a]O){1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	127.4860	0.000	1	127.4860	0.000	1	127.4860	0.000	1	126.2827	1.494	12	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:2:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H)	C[6a](C[5a]C[5a,6a]C[5a])(N[6a]C[5a,6a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H){1|C<2>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(N[6a]C[5a,6a])(C[6a]C[6a]C){1|H<1>,2|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	125.5140	0.890	4	125.5140	0.791	4	125.9820	1.204	10	126.2827	1.494	12	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:2:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H)	C[6a](C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	127.9180	0.000	1	127.9180	0.000	1	125.9820	1.204	10	126.2827	1.494	12	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:2:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H)	C[6a](C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H){1|N<2>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,1|S<4>,2|C<3>,2|H<1>}	127.4250	0.000	1	127.4250	0.000	1	125.9820	1.204	10	126.2827	1.494	12	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:2:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H)	C[6a](C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]N[6a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H){1|C<2>,1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]N[6a]C){1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	126.1170	0.190	2	125.7010	0.537	3	125.9820	1.204	10	126.2827	1.494	12	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:2:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H)	C[6a](C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]N[6a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]N[6a]C){1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	124.8690	0.000	1	125.7010	0.537	3	125.9820	1.204	10	126.2827	1.494	12	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:2:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H)	C[6a](C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]N[6a]O){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	125.3180	0.000	1	125.3180	0.000	1	125.9820	1.204	10	126.2827	1.494	12	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:2:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5a]N)	C[6a](C[5a]C[5a,6a]N[5a])(N[6a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5a]N){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(N[6a]C[5a,6a])(C[6a]C[6a]H){1|N<2>,2|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	128.0860	0.000	1	128.0860	0.000	1	128.0860	0.000	1	126.2827	1.494	12	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a]){1|N<3>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	126.8120	0.000	1	126.8120	0.000	1	126.8120	0.000	1	126.1526	2.545	21	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]C)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]C){1|C<2>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	124.3180	0.000	1	124.3180	0.000	1	126.0206	0.681	14	126.1526	2.545	21	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a,6a]C[6a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|N<3>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	126.5220	0.000	1	126.5220	0.000	1	126.0206	0.681	14	126.1526	2.545	21	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H){1|C<2>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(N[6a]C[6a]){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	125.8960	0.000	1	125.9523	0.422	10	126.0206	0.681	14	126.1526	2.545	21	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H){1|C<2>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(N[6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	125.9679	0.736	8	125.9523	0.422	10	126.0206	0.681	14	126.1526	2.545	21	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H){1|C<2>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	125.8840	0.000	1	125.9523	0.422	10	126.0206	0.681	14	126.1526	2.545	21	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]N[6a]O)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H){1|H<1>,1|N<3>,1|O<1>,1|S<4>,3|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]N[6a]O)(N[6a]C[6a]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,1|S<4>,2|C<3>,3|H<1>}	126.7620	0.000	1	126.9630	0.081	2	126.0206	0.681	14	126.1526	2.545	21	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]N[6a]O)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]N[6a]O)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	127.1640	0.000	1	126.9630	0.081	2	126.0206	0.681	14	126.1526	2.545	21	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]C)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]C){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	126.6320	0.000	1	126.6320	0.000	1	125.5310	2.424	2	126.1526	2.545	21	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]C)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]N[6a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]C){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]N[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|C<4>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	124.4300	0.000	1	124.4300	0.000	1	125.5310	2.424	2	126.1526	2.545	21	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[5a]N[5a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[5a]N[5a]H){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a]){1|N<3>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	124.7070	0.000	1	124.7070	0.000	1	128.3425	26.434	2	126.1526	2.545	21	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[5a]O[5a]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[5a]O[5a]N){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6a]C[6a]){1|N<3>,1|O<2>,2|H<1>,2|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	131.9780	0.000	1	131.9780	0.000	1	128.3425	26.434	2	126.1526	2.545	21	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]B[5a]H)	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a,6a](N[5a,6a]B[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]B[5a]H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|B<4>,1|N<3>,2|C<3>,3|H<1>}	C[5a,6a](N[5a,6a]B[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	125.1780	0.499	2	125.1780	0.249	2	125.1780	0.249	2	126.1526	2.545	21	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]C[6a])(N[6a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[6a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]2)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]C[6a])(N[6a]C[6a]){1|H<1>,6|C<3>}	127.2860	0.000	1	127.2860	0.000	1	127.2860	0.000	1	125.4164	6.973	5	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a])	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	128.8650	0.000	1	128.8650	0.000	1	128.8650	0.000	1	125.4164	6.973	5	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a])	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|Cl<1>,1|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a]){1|C<4>,5|C<3>}	122.2860	0.000	1	122.2860	0.000	1	123.1065	1.346	2	125.4164	6.973	5	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a])	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|Cl<1>,1|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a]){2|C<4>,4|C<3>}	123.9270	0.000	1	123.9270	0.000	1	123.1065	1.346	2	125.4164	6.973	5	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a,6]N[6a])(C[5a]N[5a,6]C[6a])(N[6a]C[6a])	C[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2){1|N<3>,2|F<1>,2|H<1>,2|N<2>,3|C<3>}	C[6a](C[5a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)2{1|B<4>,1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]N[6a])(C[5a]N[5a,6]C[6a])(N[6a]C[6a]){1|B<4>,1|C<4>,1|N<2>,3|C<3>}	124.7180	0.000	1	124.7180	0.000	1	124.7180	0.000	1	125.4164	6.973	5	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	124.1300	0.000	1	124.4630	0.222	2	124.9210	0.740	3	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	124.7960	0.000	1	124.4630	0.222	2	124.9210	0.740	3	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5,5a]C[5,5a]N[5,5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5,5a]C[5,5a]N[5,5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	125.8370	0.000	1	125.8370	0.000	1	124.9210	0.740	3	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5,5a]C[5,6a]N[5,5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5,5a]C[5,6a]N[5,5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,1|O<2>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]O){1|N<3>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	126.6890	0.000	1	126.6890	0.000	1	126.6890	0.000	1	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]F)2	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]C[5a,5a]C[6a])(C[6a]C[5,6a]H)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|F<1>,6|C<3>}	C[6a](C[5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]F)2{1|S<2>,2|F<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]C[5a,5a]C[6a])(C[6a]C[5,6a]H){1|H<1>,1|S<2>,5|C<3>}	127.2990	0.492	2	127.2990	0.242	2	127.2990	0.242	2	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)2	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a,6a]H)	C[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,2|C<4>,6|C<3>}	C[6a](C[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a,6a]H){1|H<1>,1|N<2>,5|C<3>}	118.8590	0.000	1	118.8590	0.000	1	122.9857	3.524	8	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	124.7545	0.414	2	123.5753	0.868	7	122.9857	3.524	8	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,5|C<3>}	122.9650	0.000	1	123.5753	0.868	7	122.9857	3.524	8	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	122.8600	0.000	1	123.5753	0.868	7	122.9857	3.524	8	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	123.2310	0.712	3	123.5753	0.868	7	122.9857	3.524	8	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[4,5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[4,5a]N[4,5a]C[4])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[4,5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]N[4,5a]C[6a])(C[5a]C[4,5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[4,5a]N[4,5a]C[4])(C[6a]C[6a]2){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[5a]C[5a,6a]C[4,5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[4,5a]C[6a])(C[5a]C[4,5a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	129.5720	0.000	1	129.5720	0.000	1	129.5720	0.000	1	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]S[5])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]C)2	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[5,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]S[5])(C[6a]C[6a]2){1|H<1>,2|C<4>,2|O<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]C)2{1|S<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[5,6a]H){1|H<1>,1|S<4>,5|C<3>}	125.2550	0.000	1	125.2550	0.000	1	127.5291	1.231	12	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	C[6a](C[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	125.8240	0.000	1	127.7358	0.790	11	127.5291	1.231	12	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	127.0180	0.000	1	127.7358	0.790	11	127.5291	1.231	12	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(C[6a]C[6a]2){1|C<4>,5|C<3>,5|H<1>}	C[6a](C[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	127.8040	0.678	5	127.7358	0.790	11	127.5291	1.231	12	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(C[6a]C[6a]2){2|C<4>,4|C<3>,5|H<1>}	C[6a](C[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	128.2390	0.500	3	127.7358	0.790	11	127.5291	1.231	12	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(C[6a]C[6a]2){4|H<1>,7|C<3>}	C[6a](C[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	128.5150	0.000	1	127.7358	0.790	11	127.5291	1.231	12	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]C)2	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2){2|C<4>,8|C<3>}	C[6a](C[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C[6a]){2|H<1>,7|C<3>}	128.6770	0.000	1	128.6770	0.000	1	128.6770	0.000	1	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[5,6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[5,6])(C[6a]C[6a]2){2|C<4>,4|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	124.3710	0.000	1	124.3710	0.000	1	127.5728	5.465	5	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(C[6a]C[6a]2){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[6a](C[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	128.7220	0.000	1	128.7220	0.000	1	127.5728	5.465	5	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]N[6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]N[6])(C[6a]C[6a]2){1|B<4>,3|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[5a,6a]H){1|B<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	129.3415	1.351	2	129.3415	1.826	2	127.5728	5.465	5	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]Si[6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]Si[6])(C[6a]C[6a]2){3|C<4>,3|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)2{1|Si<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H){1|Si<4>,2|H<1>,4|C<3>}	126.0880	0.000	1	126.0880	0.000	1	127.5728	5.465	5	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]N[6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]N[6])(C[6a]C[6a]2){1|B<4>,2|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6]C[6a]){1|B<4>,1|H<1>,1|N<2>,6|C<3>}	131.4880	0.144	2	131.4880	0.021	2	131.4880	0.021	2	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)2	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6]C[6a])(C[5a]C[5a,6]C[6a])	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6]C[6a])(C[5a]C[5a,6]C[6a]){1|C<4>,2|H<1>,6|C<3>}	126.5950	0.000	1	126.5950	0.000	1	126.5950	0.000	1	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)2	C[5a,6a](N[5a,6a]C[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2){1|O<2>,5|C<3>,5|H<1>}	C[6a](C[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	126.4250	0.000	1	126.4250	0.000	1	126.4250	0.000	1	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(C[6a]C[6a,6a]C[6a]){2|H<1>,8|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]H){1|N<3>,2|H<1>,6|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a]){2|H<1>,7|C<3>}	130.1990	0.000	1	130.1990	0.000	1	130.1990	0.000	1	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a,6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[5a]C[5a,6a]2)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|O<1>,1|O<2>,7|C<3>}	129.1670	0.000	1	129.1670	0.000	1	129.1670	0.000	1	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[5a]C[5a,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	123.0550	0.076	3	123.0550	0.006	3	125.1604	5.027	15	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[6a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]2)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	126.2110	0.000	1	126.2110	0.000	1	125.1604	5.027	15	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]2)(C[6a]C[6a]C)2	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]2)(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	128.4073	0.748	3	128.4073	0.560	3	125.1604	5.027	15	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]2)(C[6a]C[6a]C)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[5,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]2)(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[5,6a]H){1|H<1>,6|C<3>}	125.3510	3.489	2	125.3510	12.172	2	125.1604	5.027	15	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]2)(C[6a]C[6a]C)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]2)(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	123.9557	0.733	4	123.9557	0.537	4	125.1604	5.027	15	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,3|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	126.4740	0.000	1	125.1415	3.551	2	125.1604	5.027	15	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[5a]C[5a,6a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	123.8090	0.000	1	125.1415	3.551	2	125.1604	5.027	15	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[5a]C[5a,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[6a]){1|H<1>,1|N<3>,7|C<3>}	129.7070	0.000	2	129.4387	0.216	3	129.1030	1.605	5	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[5a]C[5a,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[6a]){1|H<1>,1|O<2>,7|C<3>}	128.9020	0.000	1	129.4387	0.216	3	129.1030	1.605	5	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[5a]C[5a,6a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[6a]){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	126.9960	0.000	1	126.9960	0.000	1	129.1030	1.605	5	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[5a]C[5a,6a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[6a]){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	130.2030	0.000	1	130.2030	0.000	1	129.1030	1.605	5	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]2)(C[6a]C[6a]C)2	C[5a,6a](C[5a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]2)(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	C[5a,6a](C[5a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	127.9780	0.000	1	127.9780	0.000	1	127.9780	0.000	1	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[5a]C[5a,6a]2)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a]){2|H<1>,7|C<3>}	123.3880	0.000	1	124.7910	3.937	2	126.4333	5.961	4	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[5a]C[5a,6a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a]){2|H<1>,7|C<3>}	126.1940	0.000	1	124.7910	3.937	2	126.4333	5.961	4	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[5a]C[5a,6a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	129.3320	0.000	1	129.3320	0.000	1	126.4333	5.961	4	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]C[6a])	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,3|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]C[6a]){1|H<1>,7|C<3>}	126.8190	0.000	1	126.8190	0.000	1	126.4333	5.961	4	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[5a]C[5a,6a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	122.8920	0.000	1	122.8920	0.000	1	122.8920	0.000	1	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]N[5a,6]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]N[5a,6]C)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	125.9525	0.183	2	125.9525	0.034	2	125.9525	0.034	2	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a,6a]C[6a,6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a,6a]C[5a,6a,6a]C[6a,6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|O<1>,7|C<3>}	132.6420	0.000	1	132.6420	0.000	1	132.6420	0.000	1	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]N[5a]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,2|N<2>,3|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a]){1|H<1>,2|N<2>,4|C<3>}	130.8408	0.133	5	130.8408	0.018	5	130.8408	0.018	5	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a]){1|C<4>,1|H<1>,7|C<3>}	129.8590	0.000	1	129.8590	0.000	1	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])(C[6a]C[6a]2){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{3|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]C){2|H<1>,4|C<3>}	123.8410	0.000	1	123.8410	0.000	1	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	124.4930	0.000	1	124.4930	0.000	1	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,5|C<3>}	127.0250	0.000	1	126.6997	0.089	3	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	126.5370	0.136	2	126.6997	0.089	3	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]O[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]O[6a]O){1|H<1>,5|C<3>}	127.9460	0.742	2	127.9460	0.551	2	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[5a]N[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<2>,3|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[5a]N[6a]){1|H<1>,1|S<2>,6|C<3>}	128.0830	0.000	1	128.0830	0.000	1	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]F)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|F<1>,2|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]F){1|C<4>,2|H<1>,4|C<3>}	128.2920	0.000	1	128.2920	0.000	1	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	125.7720	1.492	4	125.5428	0.892	18	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	126.0200	0.000	1	125.5428	0.892	18	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|S<4>,3|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	123.8390	0.000	1	125.5428	0.892	18	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	125.2830	0.000	1	125.5428	0.892	18	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	125.6767	0.830	7	125.5428	0.892	18	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|Cl<1>,1|H<1>,4|C<3>}	126.0140	0.000	1	125.5428	0.892	18	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	125.2630	0.426	3	125.5428	0.892	18	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<2>,3|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,7|C<3>}	127.0160	0.000	1	127.0160	0.000	1	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|N<2>,3|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,5|C<3>}	126.4325	0.275	2	126.4325	0.076	2	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,5|C<3>}	126.2550	0.000	1	126.2550	0.000	1	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5,6a]H){1|H<1>,1|O<2>,4|C<3>}	124.3300	0.000	1	124.3300	0.000	1	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,1|O<2>,4|C<3>}	125.7342	0.494	5	125.7342	0.244	5	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]C){1|H<1>,1|O<2>,4|C<3>}	124.9710	0.000	1	125.6620	0.480	3	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]C){2|H<1>,4|C<3>}	125.6580	0.000	1	125.6620	0.480	3	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{3|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]C){2|H<1>,4|C<3>}	126.3570	0.000	1	125.6620	0.480	3	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|O<2>,2|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	127.6560	0.000	1	124.9981	1.257	8	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	124.7523	0.103	3	124.9981	1.257	8	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,1|S<4>,4|C<3>}	124.4145	0.032	2	124.9981	1.257	8	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	124.6215	0.753	2	124.9981	1.257	8	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a,6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a,6a]O){1|C<4>,5|C<3>}	126.8510	0.000	1	126.8510	0.000	1	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]O){1|C<4>,1|H<1>,4|C<3>}	125.4710	0.000	1	125.4710	0.000	1	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]F)2	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2){2|F<1>,7|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]F)2{1|S<2>,2|F<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|S<2>,7|C<3>}	124.8070	0.000	1	124.8070	0.000	1	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2){1|N<3>,2|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|S<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	122.9500	0.000	1	122.9500	0.000	1	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|S<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	122.0343	0.712	3	122.0343	0.506	3	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	128.3980	2.789	2	128.2943	4.189	4	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	129.7310	0.000	1	128.2943	4.189	4	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|Br<1>,2|H<1>,4|C<3>}	126.6500	0.000	1	128.2943	4.189	4	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]N[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|H<1>,1|O<1>,2|N<3>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]N[6a]O){2|C<4>,5|C<3>}	128.4270	0.000	1	128.4270	0.000	1	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|O<2>,1|S<4>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	121.9680	0.000	1	121.9680	0.000	1	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){4|C<3>,4|H<1>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	126.1890	0.000	1	125.0790	1.497	3	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){4|C<3>,4|H<1>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	124.5240	1.071	2	125.0790	1.497	3	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]N[6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]N[6a]C){1|H<1>,5|C<3>}	129.9290	0.000	1	129.9290	0.000	1	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	128.0410	0.000	1	125.1151	1.892	23	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	125.6532	1.509	5	125.1151	1.892	23	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|S<4>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	125.7370	1.655	2	125.1151	1.892	23	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|S<4>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	125.7880	0.000	1	125.1151	1.892	23	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|S<4>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	123.8915	0.742	2	125.1151	1.892	23	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	124.6360	0.000	1	125.1151	1.892	23	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){4|C<3>,4|H<1>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	123.5977	1.511	3	125.1151	1.892	23	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){4|C<3>,4|H<1>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	125.3550	0.000	1	125.1151	1.892	23	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){4|C<3>,4|H<1>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|F<1>,2|H<1>,4|C<3>}	125.3404	0.700	5	125.1151	1.892	23	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){4|C<3>,4|H<1>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	124.4740	0.000	1	125.1151	1.892	23	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){4|C<3>,4|H<1>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	124.3360	0.000	1	125.1151	1.892	23	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]O){1|C<4>,2|H<1>,4|C<3>}	128.4755	0.780	2	128.4755	0.608	2	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]N[6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]N[6a]C){1|C<4>,1|N<2>,1|N<3>,3|C<3>}	129.8080	0.000	1	129.8080	0.000	1	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a,6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a,6a]O){2|H<1>,5|C<3>}	125.6470	0.000	1	125.6470	0.000	1	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(C[6a]C[6a]2){1|N<3>,1|O<2>,2|H<1>,7|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	126.9550	0.000	1	126.9550	0.000	1	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(C[6a]C[6a]2){1|Cl<1>,1|N<2>,2|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	124.8830	0.000	1	124.8830	0.000	1	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(C[6a]C[6a]2){1|N<2>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	125.3750	0.000	1	125.3750	0.000	1	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(C[6a]C[6a]2){1|N<2>,3|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	124.8840	0.000	1	124.8840	0.000	1	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]O){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|Br<1>,3|C<3>,3|H<1>}	123.9560	0.000	1	123.9560	0.000	1	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)2{1|N<3>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	124.5340	0.000	1	124.5340	0.000	1	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	126.8985	0.394	2	126.8985	0.155	2	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|B<3>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|B<3>,3|C<3>,3|H<1>}	125.8120	0.000	1	128.6458	1.734	12	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	128.6810	0.000	1	128.6458	1.734	12	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	129.3846	1.178	5	128.6458	1.734	12	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	127.1500	0.000	1	128.6458	1.734	12	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){4|C<3>,4|H<1>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	128.6563	0.319	3	128.6458	1.734	12	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){4|C<3>,4|H<1>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	129.2150	0.000	1	128.6458	1.734	12	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|N<2>,1|S<4>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|H<1>,1|S<4>,6|C<3>}	132.6000	0.000	1	132.6000	0.000	1	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	127.8330	0.000	1	127.0787	2.686	11	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|N<2>,3|C<3>,4|H<1>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	126.9469	1.801	9	127.0787	2.686	11	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	127.5110	0.000	1	127.0787	2.686	11	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|N<2>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]O){3|C<3>,3|H<1>}	129.0445	1.746	2	129.0445	3.048	2	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]N[6a]N[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,2|N<2>,3|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]N[6a]N[5]){1|H<1>,2|C<4>,4|C<3>}	131.0580	1.022	2	131.0580	1.045	2	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a,6a]O)(C[6a]O[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a,6a]O)(C[6a]O[6a]H){2|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	126.1510	0.000	1	126.3960	0.120	2	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a,6a]O)(C[6a]O[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a,6a]O)(C[6a]O[6a]H){2|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	126.6410	0.000	1	126.3960	0.120	2	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	128.2120	0.000	1	128.2120	0.000	1	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	127.2315	0.364	2	126.3593	1.868	7	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2){1|S<4>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,1|S<4>,2|H<1>,3|C<3>}	124.7030	0.031	2	126.3593	1.868	7	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	125.6290	0.000	1	126.3593	1.868	7	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2){4|C<3>,4|H<1>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|H<1>,3|C<3>}	127.5085	0.945	2	126.3593	1.868	7	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,1|P<4>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,1|P<4>,3|C<3>}	123.8100	0.000	1	123.4685	0.233	2	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,1|P<4>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|P<4>,2|H<1>,3|C<3>}	123.1270	0.000	1	123.4685	0.233	2	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]2){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	124.1350	0.000	1	124.1350	0.000	1	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]2){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	124.3595	0.276	2	124.3595	0.076	2	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]O[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]2){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]O[6a]O){1|C<4>,4|C<3>}	129.1887	1.191	3	128.5610	1.578	5	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]O[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]2){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]O[6a]O){5|C<3>}	127.6195	0.722	2	128.5610	1.578	5	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5,6a]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	125.6680	0.000	1	125.6680	0.000	1	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5a,6a]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	126.1180	0.795	2	126.1180	0.632	2	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	125.5830	0.000	1	125.5830	0.000	1	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]O[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(C[6a]C[6a]2){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|O<2>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]O[6a]O){1|H<1>,4|C<3>}	131.5900	0.119	2	131.5900	0.014	2	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|O<2>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	127.6710	0.000	1	127.6710	0.000	1	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(C[6a]C[6a]2){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|O<2>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]O){3|C<3>,3|H<1>}	130.8780	0.000	1	130.8780	0.000	1	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]F)2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N)(C[6a]C[6a]2){1|H<1>,2|F<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]F)2{1|N<2>,1|O<2>,2|F<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	127.4660	0.750	3	127.4160	0.385	4	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]F)2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N)(C[6a]C[6a]2){1|H<1>,2|F<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]F)2{1|N<3>,1|O<2>,2|F<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	127.2660	0.000	1	127.4160	0.385	4	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	123.1560	1.055	2	123.1560	1.113	2	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N)(C[6a]C[6a]2){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]O){1|N<3>,2|H<1>,3|C<3>}	129.6465	1.077	2	129.6465	1.160	2	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5,6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	131.5260	0.000	1	131.5260	0.000	1	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]P)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]P)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|O<2>,1|P<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|P<3>,2|H<1>,3|C<3>}	125.4140	0.000	1	124.3500	1.646	8	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]P)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]P)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|O<2>,1|P<4>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>}	124.1980	1.306	7	124.3500	1.646	8	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	123.1357	0.829	6	123.1357	0.687	6	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|S<2>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	125.8790	0.000	1	125.8790	0.000	1	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]S[5a]S[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a,6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)(C[6a]C[6a]2){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|Br<1>,1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]S[5a]S[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a,6a]O){1|N<3>,4|C<3>}	127.2945	0.196	2	127.0697	0.171	3	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]S[5a]S[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a,6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)(C[6a]C[6a]2){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,1|S<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]S[5a]S[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a,6a]O){1|N<2>,4|C<3>}	126.6200	0.000	1	127.0697	0.171	3	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|O<2>,1|S<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	124.5380	0.000	1	124.5380	0.000	1	126.2464	4.966	185	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,2|H<1>,7|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,7|C<3>}	128.9880	0.584	2	128.9880	0.341	2	128.9880	0.341	2	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<2>,5|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]O){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,7|C<3>}	124.2840	0.000	1	124.2840	0.000	1	126.6847	5.454	3	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]C[6a])	C[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<3>,6|C<3>}	127.8850	1.505	2	127.8850	2.264	2	126.6847	5.454	3	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	129.9430	0.000	1	129.9430	0.000	1	128.5782	2.516	12	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a]){1|N<3>,2|H<1>,6|C<3>}	131.4420	0.000	1	131.4420	0.000	1	128.5782	2.516	12	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|Br<1>,1|H<1>,1|N<3>,7|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a]){1|N<3>,2|H<1>,6|C<3>}	127.3780	0.000	1	127.3780	0.000	1	128.5782	2.516	12	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<3>,2|H<1>,7|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a]){1|N<3>,2|H<1>,6|C<3>}	127.2610	0.000	1	126.8950	0.268	2	128.5782	2.516	12	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a]){2|H<1>,7|C<3>}	126.5290	0.000	1	126.8950	0.268	2	128.5782	2.516	12	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<2>,6|C<3>}	128.9290	0.000	1	128.9290	0.000	1	128.5782	2.516	12	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a]){3|H<1>,6|C<3>}	130.5100	0.000	1	130.5100	0.000	1	128.5782	2.516	12	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]O[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]O[5a]C)(C[6a]C[6a]2){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a]){1|C<4>,2|H<1>,5|C<3>}	129.3730	0.000	1	129.3730	0.000	1	128.5782	2.516	12	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]O[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]O[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{3|O<2>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a]){2|H<1>,6|C<3>}	127.6430	0.000	1	127.6430	0.000	1	128.5782	2.516	12	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]O[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]O[5a]N)(C[6a]C[6a]2){1|Br<1>,1|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a]){1|N<3>,2|H<1>,5|C<3>}	127.9770	1.376	3	127.9770	1.893	3	128.5782	2.516	12	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a]){3|H<1>,6|C<3>}	128.4320	0.000	1	128.4320	0.000	1	129.4987	2.144	3	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]N)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<3>,6|C<3>}	130.0320	1.607	2	130.0320	2.581	2	129.4987	2.144	3	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]N[5a,6,6a]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]F)2	C[5a,6a](N[5a,6,6a]C[6,6a,6a]C[5a,6])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6,6a]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]2){1|H<1>,2|F<1>,7|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]F)2{1|N<3>,2|F<1>,4|C<3>}	C[5a,6a](N[5a,6,6a]C[6,6a,6a]C[5a,6])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	127.1360	0.000	1	127.1360	0.000	1	127.1360	0.000	1	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]N[5a,6,6a]C[6a,6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,6,6a]C[6,6a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a,6a]N[5a,6,6a]C[6a,6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]2){1|H<1>,9|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](N[5a,6,6a]C[6,6a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,8|C<3>}	127.8620	0.000	1	127.8620	0.000	1	127.6272	4.281	5	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]N[5a,6,6a]C[6a,6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](N[5a,6,6a]C[6,6a,6a]C[5a,6])(C[6a,6a]C[6,6a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a,6a]N[5a,6,6a]C[6a,6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](N[5a,6,6a]C[6,6a,6a]C[5a,6])(C[6a,6a]C[6,6a,6a]C[6a])(C[5a]C[5a]C[6a]){1|O<2>,8|C<3>}	125.7560	1.290	2	125.7560	1.663	2	127.6272	4.281	5	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]N[5a,6,6a]C[6a,6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](N[5a,6,6a]C[6,6a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a,6a]N[5a,6,6a]C[6a,6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](N[5a,6,6a]C[6,6a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,8|C<3>}	129.3810	1.500	2	129.3810	2.251	2	127.6272	4.281	5	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]B[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](N[5a,6a]B[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]N[5,6a]C)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]B[5a]C[6a])(C[6a]C[6a]2){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|B<3>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]B[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]N[5,6a]C){1|B<3>,1|C<4>,5|C<3>}	124.3850	0.000	1	124.3850	0.000	1	126.0858	9.717	15	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|Cl<1>,1|C<2>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	120.9820	0.000	1	120.9820	0.000	1	126.0858	9.717	15	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,2|C<4>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	122.5710	0.000	1	122.5710	0.000	1	126.0858	9.717	15	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	127.4830	0.000	1	127.4830	0.000	1	126.0858	9.717	15	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<2>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	121.8160	0.000	1	122.9430	1.114	3	126.0858	9.717	15	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	123.9080	0.000	1	122.9430	1.114	3	126.0858	9.717	15	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){4|C<3>,4|H<1>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	123.1050	0.000	1	122.9430	1.114	3	126.0858	9.717	15	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){4|C<3>,4|H<1>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|O<2>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	124.9140	0.000	1	124.9140	0.000	1	126.0858	9.717	15	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]N[5a,6a]O)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]N[5a,6a]O){1|O<1>,6|C<3>}	128.6470	0.000	1	128.6470	0.000	1	126.0858	9.717	15	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	130.3330	0.000	1	130.3330	0.000	1	126.0858	9.717	15	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	128.0165	0.093	2	128.0433	0.006	3	126.0858	9.717	15	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	128.0970	0.000	1	128.0433	0.006	3	126.0858	9.717	15	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	129.5065	0.214	2	129.5065	0.046	2	126.0858	9.717	15	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:N[6a]-3:	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|N<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>}	128.0860	0.000	1	128.0860	0.000	1	128.0860	0.000	1	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|N<3>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]N){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	126.9040	0.000	1	126.9040	0.000	1	126.9040	0.000	1	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|I<1>,1|N<3>,7|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	127.1830	0.000	1	125.9685	2.950	2	126.1093	1.535	3	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|I<1>,1|N<3>,7|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	124.7540	0.000	1	125.9685	2.950	2	126.1093	1.535	3	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|H<1>,1|N<3>,1|O<2>,1|S<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]O){1|N<3>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	126.3910	0.000	1	126.3910	0.000	1	126.1093	1.535	3	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,1|O<2>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[5a]){1|C<4>,1|N<3>,2|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]O){1|C<4>,3|C<3>,3|H<1>}	125.9670	0.000	1	125.9670	0.000	1	124.5615	3.951	2	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]H){1|H<1>,1|S<2>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[5a]){1|S<2>,2|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	123.1560	0.000	1	123.1560	0.000	1	124.5615	3.951	2	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]N[6a]H)(N[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H){1|N<2>,1|S<4>,3|C<3>,3|H<1>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]N[6a]H)(N[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,1|S<4>,2|C<3>,3|H<1>}	125.0110	0.000	1	125.0110	0.000	1	125.0110	0.000	1	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[5,6a])(C[5a]N[5a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[5a]C[5a,6a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[5,6a])(C[5a]N[5a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[5a]C[5a,6a]C[5a]){1|N<3>,2|C<4>,2|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	125.9020	0.000	1	125.9020	0.000	1	125.9020	0.000	1	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]S[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]S[5a]){1|H<1>,1|O<2>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]O){1|S<2>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	121.7270	1.264	2	121.7270	1.598	2	123.4022	3.732	5	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6a]O[6a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5a]N[5a]C){2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6a]O[6a]O){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	124.4630	0.000	1	124.4630	0.000	1	123.4022	3.732	5	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5a]O[5a]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]O[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5a]O[5a]N){1|O<1>,2|O<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]O){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]O[6a]O){1|N<3>,4|C<3>}	125.9560	0.000	1	125.9560	0.000	1	123.4022	3.732	5	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5a]S[5a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5a]S[5a]C){1|C<2>,1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C){1|S<2>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	123.1380	0.000	1	123.1380	0.000	1	123.4022	3.732	5	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	130.1450	0.000	1	130.1450	0.000	1	129.4375	0.375	4	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]B)	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]F)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]F)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]B){3|F<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]F)2{1|B<4>,1|N<2>,2|F<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]F){1|B<4>,2|F<1>,3|C<3>}	129.2017	0.478	3	129.2017	0.228	3	129.4375	0.375	4	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]B[5a]B)	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](N[5a,6a]B[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]B[5a]B){2|F<1>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|B<4>,2|C<3>,2|H<1>}	C[5a,6a](N[5a,6a]B[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|B<4>,2|F<1>,2|H<1>,3|C<3>}	120.1360	0.000	1	120.1360	0.000	1	123.8510	7.009	4	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]B[5a]H)	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](N[5a,6a]B[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]B[5a]H){3|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|C<3>,3|H<1>}	C[5a,6a](N[5a,6a]B[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	125.0893	1.145	3	125.0893	1.312	3	123.8510	7.009	4	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5,5a]C[5,5a]C[5,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a,6a]C[5,5a])(C[5a]N[5,5a]C[6a])(C[6a]O[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5,5a]C[5,5a]C[5,6a])(C[6a]C[6a]2){1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5,5a])(C[5a]N[5,5a]C[6a])(C[6a]O[6a]O){1|C<4>,5|C<3>}	132.4000	0.000	1	132.4000	0.000	1	132.4000	0.000	1	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2){1|N<3>,2|F<1>,3|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)2{1|B<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a,6a]H){1|B<4>,1|H<1>,5|C<3>}	125.4765	0.217	2	125.4765	0.047	2	125.3722	2.042	25	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2){1|N<2>,1|N<3>,2|F<1>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)2{1|B<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,1|N<2>,2|H<1>,3|C<3>}	125.3615	1.647	2	125.1143	0.839	22	125.3722	2.042	25	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2){1|N<2>,1|N<3>,3|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)2{1|B<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,1|N<2>,2|H<1>,3|C<3>}	124.6290	1.049	2	125.1143	0.839	22	125.3722	2.042	25	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2){1|N<3>,2|C<2>,3|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)2{1|B<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	124.6260	0.526	2	125.1143	0.839	22	125.3722	2.042	25	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2){1|N<3>,2|F<1>,3|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)2{1|B<4>,1|H<1>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	124.2200	0.175	2	125.1143	0.839	22	125.3722	2.042	25	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2){1|N<3>,2|F<1>,3|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)2{1|B<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,1|H<1>,1|I<1>,4|C<3>}	125.4290	1.044	2	125.1143	0.839	22	125.3722	2.042	25	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2){1|N<3>,2|F<1>,3|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)2{1|B<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	125.6101	0.687	10	125.1143	0.839	22	125.3722	2.042	25	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2){2|Cl<1>,1|N<2>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)2{1|B<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,1|N<2>,2|H<1>,3|C<3>}	123.9415	0.284	2	125.1143	0.839	22	125.3722	2.042	25	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a,6]N[6a])(C[5a]N[5a,6]C[6a])(C[6a]N[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,2|N<3>,4|C<3>}	C[6a](C[5a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]N[6a])(C[5a]N[5a,6]C[6a])(C[6a]N[6a]O){3|C<4>,4|C<3>}	130.8370	0.000	1	130.8370	0.000	1	125.3722	2.042	25	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a,6]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2){1|N<2>,1|N<3>,2|F<1>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)2{1|B<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a,6]C[6a]){1|B<4>,1|H<1>,1|N<2>,6|C<3>}	128.3550	0.000	1	128.2997	0.081	3	128.2997	0.081	3	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a,6]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2){1|N<3>,2|F<1>,2|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)2{1|B<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a,6]C[6a]){1|B<4>,1|H<1>,7|C<3>}	128.2720	0.396	2	128.2997	0.081	3	128.2997	0.081	3	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6,6a]C[5a,6a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[5a])(C[5a]C[6a]N[5a])	C[5a](C[5a,6a]C[5a,6,6a]C[5a,6a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,7|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[5a])(C[5a]C[6a]N[5a]){1|N<3>,2|N<2>,3|C<3>,3|C<4>}	129.3960	0.000	1	129.3960	0.000	1	129.3960	0.000	1	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]I)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,1|I<1>,2|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]I){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	132.1770	0.000	1	132.1770	0.000	1	129.5886	5.408	10	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]N[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,2|N<3>,4|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]N[6a]O){3|C<4>,4|C<3>}	130.4325	0.357	2	130.4325	0.128	2	129.5886	5.408	10	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Zn)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Zn)(C[6a]C[6a]2){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|Zn<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|Zn<4>,1|N<2>,2|H<1>,3|C<3>}	127.2265	0.638	4	127.2265	0.407	4	129.5886	5.408	10	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	129.1820	0.000	1	129.1820	0.000	1	129.5886	5.408	10	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<2>,2|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a]){1|N<3>,1|O<1>,5|C<3>}	132.3780	1.073	2	132.3780	1.152	2	129.5886	5.408	10	126.5431	6.232	361	127.3864	9.997	477	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:2:3:	C[5a]-3:As[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:As[5a]-2:C[6a]-3:	C[5a](C[5a]As[5a]C[6a])(As[5a]As[5a])(C[6a]C[6a]2)	C[6a](C[5a]As[5a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]As[5a]C[6a])(As[5a]As[5a])(C[6a]C[6a]2)	C[5a](C[5a]As[5a]C[6a])(As[5a]As[5a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]As[5a]C[5a])(C[6a]C[6a]H)2{2|As<2>,2|C<3>,2|H<1>}	C[5a](C[5a]As[5a]C[6a])(As[5a]As[5a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	123.0518	0.563	6	123.0518	0.317	6	123.0518	0.317	6	123.0518	0.317	6	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(N[5a]N[5a,6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]C[5a,6]H)(N[5a]N[5a,6])(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[6a]N[5a])(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	128.2200	0.000	1	127.9020	0.381	3	128.2308	0.686	4	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(N[5a]N[5a,6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]C[5a,6]H)(N[5a]N[5a,6])(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[6a]N[5a])(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	127.1910	0.000	1	127.9020	0.381	3	128.2308	0.686	4	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(N[5a]N[5a,6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]C[5a,6]H)(N[5a]N[5a,6])(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[6a]N[5a])(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	128.2950	0.000	1	127.9020	0.381	3	128.2308	0.686	4	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(N[5a]N[5a,6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6]N[5a,6]O[6])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]C[5a,6]H)(N[5a]N[5a,6])(C[6a]C[6a]2){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a,6]N[5a,6]O[6])(C[5a]C[6a]N[5a])(H){1|B<4>,3|C<3>}	129.2170	0.000	1	129.2170	0.000	1	128.2308	0.686	4	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:F-1:	C[5a](C[5a]C[5a,6a]F)(N[5a]N[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])(F)	C[5a](C[5a]C[5a,6a]F)(N[5a]N[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|F<1>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])(F){1|H<1>,1|N<2>,3|C<3>}	130.0170	0.000	1	129.8955	0.030	2	129.8955	0.030	2	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:F-1:	C[5a](C[5a]C[5a,6a]F)(N[5a]N[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])(F)	C[5a](C[5a]C[5a,6a]F)(N[5a]N[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|F<1>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])(F){1|H<1>,4|C<3>}	129.7740	0.000	1	129.8955	0.030	2	129.8955	0.030	2	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|Cl<1>,1|N<3>,3|C<3>}	127.1040	0.000	1	127.1040	0.000	1	128.0367	0.496	36	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	128.6465	0.163	2	128.6465	0.027	2	128.0367	0.496	36	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|C<2>,4|C<3>}	126.4180	0.000	1	127.8730	0.632	6	128.0367	0.496	36	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	128.1640	0.393	5	127.8730	0.632	6	128.0367	0.496	36	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H){4|C<3>}	128.1046	0.700	25	128.1046	0.489	25	128.0367	0.496	36	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]N[5a,6a]O[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a,6a]N[5a,6a]O[6a])(C[5a]C[6a]N[5a])(H){4|C<3>}	127.5355	0.151	2	127.5355	0.023	2	128.0367	0.496	36	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,5a]-3:C[5a]-3:Br-1:	C[5a](C[5a]N[5a,5a]Br)(N[5a]C[5a,5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,5a]C[5a,5a]C[5a,6])(C[5a]C[6a]N[5a])(Br)	C[5a](C[5a]N[5a,5a]Br)(N[5a]C[5a,5a])(C[6a]C[6a]2){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Br<1>,1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a,5a]C[5a,5a]C[5a,6])(C[5a]C[6a]N[5a])(Br){1|C<4>,1|S<2>,3|C<3>}	130.5260	0.000	1	130.5260	0.000	1	129.9860	0.583	2	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,5a]-3:C[5a]-3:Br-1:	C[5a](C[5a]N[5a,5a]Br)(N[5a]C[5a,5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]N[5a])(Br)	C[5a](C[5a]N[5a,5a]Br)(N[5a]C[5a,5a])(C[6a]C[6a]2){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Br<1>,1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]N[5a])(Br){1|S<2>,4|C<3>}	129.4460	0.000	1	129.4460	0.000	1	129.9860	0.583	2	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a])(C[6a]C[6a]2){1|Cl<1>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]N[5a])(H){1|S<2>,3|C<3>}	131.3290	0.104	3	131.3290	0.011	3	128.1991	1.903	28	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a])(C[6a]C[6a]2){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]N[5a])(H){1|S<2>,4|C<3>}	128.7847	0.499	3	128.7847	0.249	3	128.1991	1.903	28	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a])(C[6a]C[6a]2){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]N[5a])(H){1|C<4>,1|S<2>,3|C<3>}	129.8550	0.000	1	127.8266	1.326	7	128.1991	1.903	28	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a])(C[6a]C[6a]2){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]N[5a])(H){1|C<4>,1|S<2>,3|C<3>}	127.4885	0.794	6	127.8266	1.326	7	128.1991	1.903	28	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a])(C[6a]C[6a]2){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]N[5a])(H){1|S<2>,3|C<3>}	127.1405	0.267	2	127.5105	0.527	11	128.1991	1.903	28	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a])(C[6a]C[6a]2){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]N[5a])(H){1|S<2>,3|C<3>}	126.7140	0.100	2	127.5105	0.527	11	128.1991	1.903	28	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a])(C[6a]C[6a]2){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]N[5a])(H){1|S<2>,3|C<3>}	127.8437	0.691	7	127.5105	0.527	11	128.1991	1.903	28	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a,5a]H)(N[5a]N[5a,5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a,5a]H)(N[5a]N[5a,5a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,2|N<3>,3|H<1>}	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	127.7070	0.000	1	127.9585	0.264	4	128.1991	1.903	28	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a,5a]H)(N[5a]N[5a,5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a,5a]H)(N[5a]N[5a,5a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,2|N<3>,3|H<1>}	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[6a]N[5a])(H){1|N<2>,4|C<3>}	128.0423	0.595	3	127.9585	0.264	4	128.1991	1.903	28	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6])(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(H){1|C<4>,2|H<1>,3|C<3>}	129.2810	0.023	2	129.2810	0.001	2	129.2810	0.001	2	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:Cl-1:	C[5a](C[5a]N[5a,6a]Cl)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(Cl)	C[5a](C[5a]N[5a,6a]Cl)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(Cl){1|H<1>,4|C<3>}	128.5170	0.000	1	128.5170	0.000	1	128.5170	0.000	1	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	130.4430	0.000	1	130.4430	0.000	1	128.3554	1.372	35	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|C<2>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,3|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	126.5580	0.000	1	126.5580	0.000	1	128.3554	1.372	35	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	127.7150	0.000	1	128.7888	0.461	11	128.3554	1.372	35	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,3|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	128.8962	0.609	10	128.7888	0.461	11	128.3554	1.372	35	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]S)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|S<2>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]S){1|N<3>,2|C<3>,3|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	130.7775	0.190	2	130.7775	0.036	2	128.3554	1.372	35	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	126.6570	0.000	1	126.6570	0.000	1	128.3554	1.372	35	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(H){1|N<2>,4|C<3>}	127.9878	0.759	4	127.9878	0.576	4	128.3554	1.372	35	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|N<3>,2|C<3>,2|N<2>}	128.2020	1.299	4	127.8814	0.948	14	128.3554	1.372	35	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Br<1>,1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	127.2820	0.457	2	127.8814	0.948	14	128.3554	1.372	35	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	127.9263	0.979	7	127.8814	0.948	14	128.3554	1.372	35	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	127.4830	0.000	1	127.8814	0.948	14	128.3554	1.372	35	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H){4|C<3>}	128.2600	0.000	1	128.2600	0.000	1	128.3554	1.372	35	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:I-1:	C[5a](C[5a]N[5a,6a]I)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(I)	C[5a](C[5a]N[5a,6a]I)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|I<1>,1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(I){1|H<1>,4|C<3>}	128.1530	0.776	2	128.1530	0.603	2	128.1530	0.603	2	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:O-1:	C[5a](C[5a]N[5a,6a]O)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(O)	C[5a](C[5a]N[5a,6a]O)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(O){1|H<1>,4|C<3>}	126.1290	0.649	2	126.1290	0.421	2	126.3193	0.319	3	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:O-1:	C[5a](C[5a]N[5a,6a]O)(N[5a]N[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[6a]N[5a])(O)	C[5a](C[5a]N[5a,6a]O)(N[5a]N[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,2|H<1>,2|N<3>}	C[5a](N[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[6a]N[5a])(O){5|C<3>}	126.7000	0.000	1	126.7000	0.000	1	126.3193	0.319	3	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(O[5a]C[5a,5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a,5a]C[5a,5a]N[5a,6])(C[5a]C[6a]O[5a])(H)	C[5a](C[5a]C[5a,5a]H)(O[5a]C[5a,5a])(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5a,5a]C[5a,5a]N[5a,6])(C[5a]C[6a]O[5a])(H){1|B<4>,4|C<3>}	132.0668	0.927	16	132.0668	0.859	16	132.0668	0.859	16	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a,6]Br)(O[5a]C[5a,6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]O[5a])(Br)	C[5a](C[5a]C[5a,6]Br)(O[5a]C[5a,6])(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|Br<1>,2|H<1>,3|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]O[5a])(Br){1|C<4>,2|H<1>,3|C<3>}	137.9220	0.000	1	137.9220	0.000	1	137.9220	0.000	1	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]C[6a]O[5a])(H)	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]C[6a]O[5a])(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	132.8268	0.602	4	132.8268	0.363	4	133.3232	0.756	13	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]O[5a])(H)	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]O[5a])(H){1|O<1>,2|C<3>,2|C<4>}	133.6090	0.000	1	133.5439	0.819	9	133.3232	0.756	13	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]O[5a])(H)	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]O[5a])(H){1|H<1>,2|C<3>,3|C<4>}	133.8770	0.000	1	133.5439	0.819	9	133.3232	0.756	13	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]O[5a])(H)	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]O[5a])(H){1|H<1>,2|C<4>,3|C<3>}	134.5090	0.489	3	133.5439	0.819	9	133.3232	0.756	13	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]O[5a])(H)	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]O[5a])(H){1|H<1>,4|C<3>}	132.7205	0.389	4	133.5439	0.819	9	133.3232	0.756	13	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(H)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(H){1|H<1>,4|C<3>}	134.0850	0.000	1	134.0850	0.000	1	133.7240	1.065	30	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(H)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6,6a]H)(C[6a]C[6a]H){1|H<1>,2|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(H){1|H<1>,4|C<3>}	136.1680	0.000	1	136.1680	0.000	1	133.7240	1.065	30	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(H)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(H){1|H<1>,4|C<3>}	132.6540	0.000	1	132.6540	0.000	1	133.7240	1.065	30	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(H)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(H){5|C<3>}	131.8260	0.000	1	131.8260	0.000	1	133.7240	1.065	30	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(H)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(H){1|H<1>,4|C<3>}	134.6560	0.000	1	134.6560	0.000	1	133.7240	1.065	30	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]O[5a])(H)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]O[5a])(H){1|N<3>,4|C<3>}	133.2920	0.000	1	133.2920	0.000	1	133.7240	1.065	30	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]O[5a])(H)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]O[5a])(H){5|C<3>}	133.7820	0.000	1	133.7820	0.000	1	133.7240	1.065	30	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(H)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(H){1|H<1>,1|N<2>,3|C<3>}	132.7880	0.000	1	133.6772	0.763	20	133.7240	1.065	30	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(H)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|F<1>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(H){1|H<1>,4|C<3>}	133.3090	0.000	1	133.6772	0.763	20	133.7240	1.065	30	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(H)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(H){1|H<1>,4|C<3>}	133.8697	0.977	12	133.6772	0.763	20	133.7240	1.065	30	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(H)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(H){1|N<3>,4|C<3>}	133.8500	0.000	1	133.6772	0.763	20	133.7240	1.065	30	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(H)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(H){1|O<1>,1|O<2>,3|C<3>}	134.7280	0.000	1	133.6772	0.763	20	133.7240	1.065	30	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(H)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(H){1|O<2>,4|C<3>}	133.1920	0.390	2	133.6772	0.763	20	133.7240	1.065	30	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(H)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(H){5|C<3>}	133.0240	0.129	2	133.6772	0.763	20	133.7240	1.065	30	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]O[5a])(H)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6a]C[6a]2){2|C<3>,2|H<1>,2|N<2>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]O[5a])(H){1|N<2>,3|C<3>}	132.2500	0.000	1	132.2500	0.000	1	133.7240	1.065	30	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]O[5a])(C[6a]N[6a]H)(C[6a]N[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(H)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]N[6a]H)(C[6a]N[6a]O){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(H){1|H<1>,4|C<3>}	134.7315	0.483	2	134.7315	0.233	2	133.7240	1.065	30	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:I-1:	C[5a](C[5a]C[5a,6a]I)(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(I)	C[5a](C[5a]C[5a,6a]I)(O[5a]C[5a,6a])(C[6a]C[6a]2){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|I<1>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(I){1|O<1>,1|O<2>,3|C<3>}	136.8900	0.000	1	136.8900	0.000	1	135.7720	2.500	2	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:I-1:	C[5a](C[5a]C[5a,6a]I)(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]O[5a])(I)	C[5a](C[5a]C[5a,6a]I)(O[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|I<1>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]O[5a])(I){4|C<3>}	134.6540	0.000	1	134.6540	0.000	1	135.7720	2.500	2	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a,6]H)(O[5a]C[5a,6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]O[5a])(H)	C[5a](C[5a]N[5a,6]H)(O[5a]C[5a,6])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]O[5a])(H){1|C<4>,1|N<2>,3|C<3>}	132.8550	0.000	1	133.4697	0.294	3	133.4697	0.294	3	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a,6]H)(O[5a]C[5a,6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]O[5a])(H)	C[5a](C[5a]N[5a,6]H)(O[5a]C[5a,6])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]O[5a])(H){1|C<4>,4|C<3>}	133.7770	0.143	2	133.4697	0.294	3	133.4697	0.294	3	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]F)2	C[5a](C[5,5a]C[5,5a]C[5,5])(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(C[6a]C[6a]2){1|C<4>,2|F<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]F)2{1|H<1>,2|F<1>,3|C<3>}	C[5a](C[5,5a]C[5,5a]C[5,5])(C[5a]C[6a]S[5a])(H){2|O<2>,4|C<3>}	127.3517	0.418	3	127.3517	0.174	3	128.2009	0.671	26	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]F)2	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(C[6a]C[6a]2){2|F<1>,4|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]F)2{1|H<1>,2|F<1>,3|C<3>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[6a]S[5a])(H){5|C<3>}	127.2163	0.289	4	127.2163	0.084	4	128.2009	0.671	26	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5,5a]C[5,5a]2)(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5,5a]C[5,5a]2)(C[5a]C[6a]S[5a])(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	128.9440	0.000	1	128.9440	0.000	1	128.2009	0.671	26	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5,5a]C[5,5a]As[5])(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(C[6a]C[6a]2){1|As<3>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5,5a]C[5,5a]As[5])(C[5a]C[6a]S[5a])(H){5|C<3>}	129.0998	0.688	4	129.0998	0.473	4	128.2009	0.671	26	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5,5a]C[5,5a]C[5,5])(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5,5a]C[5,5a]C[5,5])(C[5a]C[6a]S[5a])(H){2|O<2>,4|C<3>}	128.4945	0.541	2	128.4945	0.293	2	128.2009	0.671	26	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5,5a]C[5,5a]C[5,6])(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5,5a]C[5,5a]C[5,6])(C[5a]C[6a]S[5a])(H){1|N<3>,5|C<3>}	129.2120	0.000	1	129.2120	0.000	1	128.2009	0.671	26	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[6a]S[5a])(H){5|C<3>}	127.2860	0.000	1	127.2860	0.000	1	128.2009	0.671	26	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[6a]S[5a])(H){1|C<2>,2|C<3>,3|C<4>}	128.8030	0.000	1	128.6170	0.052	5	128.2009	0.671	26	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[6a]S[5a])(H){1|O<1>,4|C<3>}	128.6570	0.000	1	128.6170	0.052	5	128.2009	0.671	26	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[6a]S[5a])(H){5|C<3>}	128.5417	0.280	3	128.6170	0.052	5	128.2009	0.671	26	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5,5a]C[5,5a]Ge[5])(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(C[6a]C[6a]2){1|Ge<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5,5a]C[5,5a]Ge[5])(C[5a]C[6a]S[5a])(H){6|C<3>}	128.3550	0.000	1	128.3550	0.000	1	128.2009	0.671	26	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5,5a]C[5,5a]N[5])(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5,5a]C[5,5a]N[5])(C[5a]C[6a]S[5a])(H){1|H<1>,4|C<3>}	127.0220	0.000	1	127.0220	0.000	1	128.2009	0.671	26	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5,5a]C[5,5a]S[5])(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(C[6a]C[6a]2){1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5,5a]C[5,5a]S[5])(C[5a]C[6a]S[5a])(H){2|O<1>,4|C<3>}	128.3440	0.246	2	128.3440	0.061	2	128.2009	0.671	26	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5,5a]C[5,5a]Si[5])(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(C[6a]C[6a]2){1|Si<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5,5a]C[5,5a]Si[5])(C[5a]C[6a]S[5a])(H){6|C<3>}	128.3230	0.000	1	128.3230	0.000	1	128.2009	0.671	26	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a,5a]Br)(S[5a]C[5a,5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[6a]S[5a])(Br)	C[5a](C[5a]C[5a,5a]Br)(S[5a]C[5a,5a])(C[6a]C[6a]2){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{1|Br<1>,2|H<1>,3|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[6a]S[5a])(Br){4|C<3>}	131.3160	0.000	1	131.3160	0.000	1	131.3160	0.000	1	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]F)2	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(C[6a]C[6a]2){1|S<2>,2|F<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]F)2{1|H<1>,2|F<1>,3|C<3>}	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]S[5a])(H){1|S<2>,4|C<3>}	127.5910	0.000	1	127.5910	0.000	1	128.2585	0.565	19	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]F)2	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(C[6a]C[6a]2){1|S<2>,2|F<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]F)2{1|H<1>,2|F<1>,3|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[6a]S[5a])(H){4|C<3>}	127.1810	0.000	1	127.1810	0.000	1	128.2585	0.565	19	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(C[6a]C[6a]2){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[6a]S[5a])(H){1|S<2>,4|C<3>}	128.8853	1.071	3	128.8853	1.147	3	128.2585	0.565	19	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]S[5a])(H){1|N<3>,4|C<3>}	128.2070	0.000	1	128.2070	0.000	1	128.2585	0.565	19	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a,5a]C[5a,5a]N[5a,5a])(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](C[5a,5a]C[5a,5a]N[5a,5a])(C[5a]C[6a]S[5a])(H){5|C<3>}	128.6680	0.000	1	128.6680	0.000	1	128.2585	0.565	19	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]S[5a])(H){1|C<4>,4|C<3>}	128.4033	0.303	3	128.2308	0.267	6	128.2585	0.565	19	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]S[5a])(H){1|H<1>,4|C<3>}	128.4590	0.000	1	128.2308	0.267	6	128.2585	0.565	19	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]S[5a])(H){5|C<3>}	127.8580	0.857	2	128.2308	0.267	6	128.2585	0.565	19	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(C[6a]C[6a]2){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{1|H<1>,2|C<4>,3|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[6a]S[5a])(H){4|C<3>}	128.4510	0.000	1	128.4168	0.551	5	128.2585	0.565	19	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(C[6a]C[6a]2){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[6a]S[5a])(H){4|C<3>}	128.4083	0.857	4	128.4168	0.551	5	128.2585	0.565	19	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]S[5a])(C[6a]N[6a]H)2	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(C[6a]C[6a]2){1|C<3>,1|S<2>,2|H<1>,2|N<2>}	C[6a](C[5a]C[5a]S[5a])(C[6a]N[6a]H)2{1|H<1>,3|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[6a]S[5a])(H){4|C<3>}	127.1390	0.000	1	127.1390	0.000	1	128.2585	0.565	19	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]S[5a])(H){1|C<4>,2|H<1>,3|C<3>}	128.2630	0.000	1	127.8847	0.165	3	127.8847	0.165	3	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]S[5a])(H){1|N<3>,1|O<1>,3|C<3>}	127.6955	0.340	2	127.8847	0.165	3	127.8847	0.165	3	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]S[5a])(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[5,6a]H)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(H){1|H<1>,4|C<3>}	125.1380	0.000	1	125.1380	0.000	1	128.7060	1.582	12	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a]C[6a]S[5a])(H){1|C<4>,4|C<3>}	128.6675	0.517	2	128.6675	0.267	2	128.7060	1.582	12	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]S[5a])(H){5|C<3>}	128.9570	0.000	1	128.9570	0.000	1	128.7060	1.582	12	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(H){1|C<4>,2|C<3>,2|N<2>}	128.8060	0.000	1	129.1302	0.414	8	128.7060	1.582	12	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(H){1|Br<1>,4|C<3>}	129.5000	0.000	1	129.1302	0.414	8	128.7060	1.582	12	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(H){1|H<1>,4|C<3>}	129.2396	0.749	5	129.1302	0.414	8	128.7060	1.582	12	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(H){1|O<2>,4|C<3>}	128.5380	0.000	1	129.1302	0.414	8	128.7060	1.582	12	129.6424	6.446	241	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:2:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CN)	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CN){1|H<1>,4|C<3>}	130.4400	0.000	1	130.4400	0.000	1	130.4400	0.000	1	131.7798	10.440	66	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:2:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:O-2:	C[5a](C[5a]C[5a,6a]O)(N[5a]N[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])(OC)	C[5a](C[5a]C[5a,6a]O)(N[5a]N[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])(OC){1|H<1>,4|C<3>}	130.6860	0.000	2	130.6860	0.000	2	130.6860	0.000	2	131.7798	10.440	66	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:2:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5,5a]-3:C[5a]-3:N-2:	C[5a](C[5a]N[5,5a]N)(N[5a]C[5,5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[6a]N[5a])(NC)	C[5a](C[5a]N[5,5a]N)(N[5a]C[5,5a])(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[6a]N[5a])(NC){1|H<1>,1|S<2>,4|C<3>}	129.7640	0.000	1	129.7640	0.000	1	129.7640	0.000	1	131.7798	10.440	66	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:2:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,5a]-3:C[5a]-3:N-2:	C[5a](C[5a]N[5a,5a]N)(N[5a]C[5a,5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]N[5a])(NC)	C[5a](C[5a]N[5a,5a]N)(N[5a]C[5a,5a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]N[5a])(NC){4|C<3>}	124.0280	0.566	2	124.0280	0.320	2	124.0280	0.320	2	131.7798	10.440	66	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:2:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,5a]-3:C[5a]-3:S-2:	C[5a](C[5a]N[5a,5a]S)(N[5a]C[5a,5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]N[5a])(SC)	C[5a](C[5a]N[5a,5a]S)(N[5a]C[5a,5a])(C[6a]C[6a]2){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]N[5a])(SC){1|S<2>,4|C<3>}	129.4410	0.000	1	129.4410	0.000	1	129.4410	0.000	1	131.7798	10.440	66	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:2:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:N-2:	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NC)	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NC){1|H<1>,4|C<3>}	130.3490	0.458	3	130.3490	0.209	3	129.3429	1.102	7	131.7798	10.440	66	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:2:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:N-2:	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NC[6])	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NC[6]){1|O<2>,4|C<3>}	127.8660	0.000	1	127.8660	0.000	1	129.3429	1.102	7	131.7798	10.440	66	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:2:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:N-2:	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NO)	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NO){1|H<1>,1|N<2>,3|C<3>}	128.4850	0.000	1	128.8290	0.091	3	129.3429	1.102	7	131.7798	10.440	66	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:2:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:N-2:	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NO)	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NO){1|H<1>,4|C<3>}	129.0010	0.069	2	128.8290	0.091	3	129.3429	1.102	7	131.7798	10.440	66	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:2:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:O-2:	C[5a](C[5a]N[5a,6a]O)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(OC)	C[5a](C[5a]N[5a,6a]O)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(OC){1|H<1>,4|C<3>}	129.0585	0.595	2	129.0585	0.354	2	129.0585	0.354	2	131.7798	10.440	66	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:2:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:S-2:	C[5a](C[5a]N[5a,6a]S)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC)	C[5a](C[5a]N[5a,6a]S)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Cl<1>,1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC){1|H<1>,4|C<3>}	128.8475	0.745	2	129.2240	0.420	5	129.1745	0.687	12	131.7798	10.440	66	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:2:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:S-2:	C[5a](C[5a]N[5a,6a]S)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC)	C[5a](C[5a]N[5a,6a]S)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC){1|H<1>,4|C<3>}	129.4750	0.572	3	129.2240	0.420	5	129.1745	0.687	12	131.7798	10.440	66	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:2:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:S-2:	C[5a](C[5a]N[5a,6a]S)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC[5a])	C[5a](C[5a]N[5a,6a]S)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC[5a]){1|H<1>,4|C<3>}	128.4767	0.882	3	128.4767	0.778	3	129.1745	0.687	12	131.7798	10.440	66	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:2:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:S-2:	C[5a](C[5a]N[5a,6a]S)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC[6a])	C[5a](C[5a]N[5a,6a]S)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC[6a]){1|H<1>,4|C<3>}	129.6360	0.817	4	129.6360	0.667	4	129.1745	0.687	12	131.7798	10.440	66	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:2:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:Se-2:	C[5a](C[5a]N[5a,6a]Se)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SeC[5a])	C[5a](C[5a]N[5a,6a]Se)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Se<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SeC[5a]){1|H<1>,4|C<3>}	128.1207	0.949	4	128.1207	0.900	4	128.7527	1.509	6	131.7798	10.440	66	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:2:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:Se-2:	C[5a](C[5a]N[5a,6a]Se)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SeSe)	C[5a](C[5a]N[5a,6a]Se)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Se<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SeSe){1|H<1>,4|C<3>}	130.0165	0.231	2	130.0165	0.053	2	128.7527	1.509	6	131.7798	10.440	66	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:2:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CN)	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|C<2>,1|F<1>,1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CN){1|H<1>,4|C<3>}	133.9090	0.000	1	134.2488	0.414	6	134.2488	0.414	6	131.7798	10.440	66	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:2:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CN)	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|C<2>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CN){1|H<1>,4|C<3>}	134.3168	0.695	5	134.2488	0.414	6	134.2488	0.414	6	131.7798	10.440	66	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:2:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N-2:	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(NC)	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(NC){1|H<1>,4|C<3>}	131.1740	0.000	1	131.1740	0.000	1	133.3050	9.082	2	131.7798	10.440	66	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:2:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N-2:	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]O[5a])(NS)	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]O[5a])(NS){5|C<3>}	135.4360	0.000	1	135.4360	0.000	1	133.3050	9.082	2	131.7798	10.440	66	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:2:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:O-2:	C[5a](C[5a]C[5a,6a]O)(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(OC)	C[5a](C[5a]C[5a,6a]O)(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(OC){1|H<1>,4|C<3>}	135.3460	0.000	1	135.3460	0.000	1	135.3460	0.000	1	131.7798	10.440	66	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:2:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(SC)	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(SC){1|H<1>,4|C<3>}	136.3190	0.912	4	136.3190	0.831	4	135.1425	0.745	22	131.7798	10.440	66	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:2:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]O[5a])(SC)	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]O[5a])(SC){5|C<3>}	134.9960	0.000	1	134.9960	0.000	1	135.1425	0.745	22	131.7798	10.440	66	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:2:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(SC)	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(C[6a]C[6a]2){1|F<1>,1|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]F)(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(SC){1|H<1>,4|C<3>}	133.9470	0.000	1	133.9470	0.000	1	135.1425	0.745	22	131.7798	10.440	66	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:2:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]O[5a])(SC)	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]O[5a])(SC){5|C<3>}	134.7620	0.516	2	134.7620	0.266	2	135.1425	0.745	22	131.7798	10.440	66	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:2:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]O[5a])(SC[6a])	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]O[5a])(SC[6a]){5|C<3>}	135.3480	0.000	1	135.3480	0.000	1	135.1425	0.745	22	131.7798	10.440	66	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:2:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(SC)	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|F<1>,1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(SC){1|H<1>,4|C<3>}	135.7410	0.000	1	134.9264	0.414	13	135.1425	0.745	22	131.7798	10.440	66	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:2:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(SC)	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(SC){1|H<1>,4|C<3>}	134.8585	0.621	12	134.9264	0.414	13	135.1425	0.745	22	131.7798	10.440	66	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:2:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,5a]-3:C[5a]-3:S-2:	C[5a](C[5a]N[5a,5a]S)(S[5a]C[5a,5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]S[5a])(SC)	C[5a](C[5a]N[5a,5a]S)(S[5a]C[5a,5a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]S[5a])(SC){5|C<3>}	131.6840	0.000	1	131.6840	0.000	1	131.6840	0.000	1	131.7798	10.440	66	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5,5a]C)(N[5a]N[5,5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[6a]N[5a])(COO)	C[5a](C[5a]C[5,5a]C)(N[5a]N[5,5a])(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[6a]N[5a])(COO){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	132.0780	0.000	1	132.0780	0.000	1	132.0780	0.000	1	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6]C)(N[5a]N[5a,6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[6a]N[5a])(COO)	C[5a](C[5a]C[5a,6]C)(N[5a]N[5a,6])(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[6a]N[5a])(COO){1|C<4>,4|C<3>}	131.3150	0.000	1	131.3150	0.000	1	129.7530	2.120	3	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6]C)(N[5a]N[5a,6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[6a]N[5a])(CHO)	C[5a](C[5a]C[5a,6]C)(N[5a]N[5a,6])(C[6a]C[6a]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[6a]N[5a])(CHO){1|C<4>,1|H<1>,3|C<3>}	128.9720	0.762	2	128.9720	0.581	2	129.7530	2.120	3	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])(COO)	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])(COO){1|H<1>,4|C<3>}	130.6440	0.000	1	130.6440	0.000	1	130.6440	0.000	1	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]N[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]N[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a]){1|O<2>,2|H<1>,5|C<3>}	129.6780	0.000	1	129.6780	0.000	1	129.6780	0.000	1	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	128.6760	0.000	1	128.6760	0.000	1	128.5582	1.472	4	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	127.6630	0.021	2	127.6630	0.000	2	128.5582	1.472	4	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|Cl<1>,1|H<1>,6|C<3>}	130.2310	0.000	1	130.2310	0.000	1	128.5582	1.472	4	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5,5a]C[5,5a]C[5,5])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5,5a]C[5,5a]C[5,5])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,2|N<2>,6|C<3>}	127.9880	0.000	1	127.9880	0.000	1	129.3071	0.496	9	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5,5a]C[5,5a]C[5,6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5,5a]C[5,5a]C[5,6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	129.3017	0.255	7	129.3017	0.065	7	129.3071	0.496	9	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]2){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|S<2>,4|C<3>,4|H<1>}	130.6640	0.000	1	130.6640	0.000	1	129.3071	0.496	9	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,5a]-3:C[5a]-3:C-3:	C[5a](C[5a]N[5a,5a]C)(N[5a]C[5a,5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]N[5a])(CHO)	C[5a](C[5a]N[5a,5a]C)(N[5a]C[5a,5a])(C[6a]C[6a]2){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]N[5a])(CHO){1|S<2>,3|C<3>}	129.8995	2.123	2	129.8995	4.509	2	129.4753	2.794	3	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,5a]-3:C[5a]-3:C-3:	C[5a](C[5a]N[5a,5a]C)(N[5a]N[5a,5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[6a]N[5a])(CC[6a]O)	C[5a](C[5a]N[5a,5a]C)(N[5a]N[5a,5a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<3>}	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[6a]N[5a])(CC[6a]O){1|C<4>,4|C<3>}	128.6270	0.000	1	128.6270	0.000	1	129.4753	2.794	3	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]2){1|S<2>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|S<2>,3|H<1>,5|C<3>}	130.1247	1.018	6	130.1247	1.037	6	130.1247	1.037	6	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,5a]-3:C[5a]-3:N-3:	C[5a](C[5a]N[5a,5a]N)(N[5a]C[5a,5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]N[5a])(NCH)	C[5a](C[5a]N[5a,5a]N)(N[5a]C[5a,5a])(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<3>}	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]N[5a])(NCH){1|N<3>,4|C<3>}	128.9180	0.000	1	128.9180	0.000	1	128.9180	0.000	1	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:C-3:	C[5a](C[5a]N[5a,6]C)(N[5a]C[5a,6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(COO)	C[5a](C[5a]N[5a,6]C)(N[5a]C[5a,6])(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(COO){1|C<4>,1|H<1>,3|C<3>}	133.0950	0.000	1	133.0950	0.000	1	133.0950	0.000	1	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6]C[5a,6]C[6,6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]C[6,6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	129.2560	0.208	3	129.2560	0.043	3	129.2082	0.446	11	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<3>,2|C<4>,2|H<1>,5|C<3>}	128.9083	0.185	3	129.1902	0.623	8	129.2082	0.446	11	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	127.6870	0.000	1	129.1902	0.623	8	129.2082	0.446	11	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	129.8507	0.419	3	129.1902	0.623	8	129.2082	0.446	11	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	129.5580	0.000	1	129.1902	0.623	8	129.2082	0.446	11	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCN)	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCN){1|H<1>,4|C<3>}	129.8310	0.000	1	129.8310	0.000	1	128.8765	3.316	10	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCO)	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|H<1>,2|N<3>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCO){1|H<1>,4|C<3>}	124.9550	0.000	1	124.9550	0.000	1	128.8765	3.316	10	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]C)	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]C){1|H<1>,4|C<3>}	129.1070	0.000	1	129.1070	0.000	1	128.8765	3.316	10	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]O)	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]O){1|H<1>,2|C<3>,2|N<2>}	129.6670	0.000	1	129.6670	0.000	1	128.8765	3.316	10	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CHO)	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CHO){1|H<1>,4|C<3>}	128.2605	0.736	4	128.2605	0.542	4	128.8765	3.316	10	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(COO)	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(COO){1|H<1>,2|C<3>,2|N<2>}	131.1330	0.000	1	131.0815	0.005	2	128.8765	3.316	10	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(COO)	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(COO){1|H<1>,4|C<3>}	131.0300	0.000	1	131.0815	0.005	2	128.8765	3.316	10	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	130.8890	0.038	2	129.5299	0.768	11	129.4357	0.695	13	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<2>,3|H<1>,5|C<3>}	129.6375	0.227	2	129.5299	0.768	11	129.4357	0.695	13	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	129.1109	0.668	7	129.5299	0.768	11	129.4357	0.695	13	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a])	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,2|N<2>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a]){1|H<1>,6|C<3>}	128.9175	0.180	2	128.9175	0.033	2	129.4357	0.695	13	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:N-3:	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6,6a]H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NCH)	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6,6a]H)2{2|C<3>,2|C<4>,2|N<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NCH){1|Br<1>,4|C<3>}	129.0640	0.000	1	129.0640	0.000	1	128.8651	1.834	16	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:N-3:	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NCH)	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|Cl<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2{2|C<3>,2|H<1>,2|N<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NCH){1|H<1>,4|C<3>}	125.5160	0.000	1	125.5160	0.000	1	128.8651	1.834	16	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:N-3:	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(NCH)	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(NCH){5|C<3>}	127.7560	0.000	1	127.7560	0.000	1	128.8651	1.834	16	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:N-3:	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NCH)	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NCH){1|H<1>,1|N<2>,3|C<3>}	128.4290	0.000	1	129.1280	1.028	5	128.8651	1.834	16	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:N-3:	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NCH)	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NCH){1|C<4>,4|C<3>}	128.2280	0.000	1	129.1280	1.028	5	128.8651	1.834	16	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:N-3:	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NCH)	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NCH){1|H<1>,4|C<3>}	129.6610	0.990	3	129.1280	1.028	5	128.8651	1.834	16	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:N-3:	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NC[6a]C)	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NC[6a]C){1|H<1>,4|C<3>}	128.4862	1.136	4	128.6174	1.054	5	128.8651	1.834	16	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:N-3:	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NC[6a]C)	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NC[6a]C){1|O<2>,4|C<3>}	129.1420	0.000	1	128.6174	1.054	5	128.8651	1.834	16	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:N-3:	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NOO)	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NOO){1|H<1>,4|C<3>}	130.5710	0.000	1	130.5710	0.000	1	128.8651	1.834	16	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:N-3:	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NSS)	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NSS){1|H<1>,4|C<3>}	130.1035	0.245	2	130.1035	0.060	2	128.8651	1.834	16	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a,6a]N[5a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[5a]C[6a]N[5a])	C[5a](C[5a]N[5a,6a]N[5a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[5a]C[6a]N[5a]){1|H<1>,8|C<3>}	128.6440	0.000	1	128.6440	0.000	1	128.6440	0.000	1	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]O[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]O[5a])(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	135.3003	0.968	4	135.3003	0.937	4	135.3003	0.937	4	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]O[5a])(CHO)	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]O[5a])(CHO){5|C<3>}	135.2500	0.000	1	135.2500	0.000	1	135.1212	1.799	9	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]O[5a])(COO)	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]O[5a])(COO){5|C<3>}	136.3670	0.000	1	136.3670	0.000	1	135.1212	1.799	9	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CCH)	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CCH){1|H<1>,4|C<3>}	133.6120	0.000	1	133.6120	0.000	1	135.1212	1.799	9	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CCO)	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CCO){1|O<2>,4|C<3>}	136.7870	0.000	1	136.7870	0.000	1	135.1212	1.799	9	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CC[6a]C[5])	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CC[6a]C[5]){1|H<1>,4|C<3>}	133.6710	1.030	2	133.6710	1.060	2	135.1212	1.799	9	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CC[6a]O)	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CC[6a]O){1|H<1>,4|C<3>}	134.4660	0.000	1	134.4660	0.000	1	135.1212	1.799	9	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(COO)	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(COO){1|H<1>,4|C<3>}	136.1335	0.172	2	136.1335	0.030	2	135.1212	1.799	9	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a](C[5a]C[5a,6a]C[5])(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[5]C[5]2)	C[5a](C[5a]C[5a,6a]C[5])(O[5a]C[5a,6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[5]C[5]2){1|C<4>,1|H<1>,2|F<1>,6|C<3>}	133.9220	0.000	1	133.5900	0.220	2	133.5900	0.220	2	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a](C[5a]C[5a,6a]C[5])(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[5]C[5]2)	C[5a](C[5a]C[5a,6a]C[5])(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[5]C[5]2){1|H<1>,1|O<1>,2|C<4>,5|C<3>}	133.2580	0.000	1	133.5900	0.220	2	133.5900	0.220	2	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,7|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	134.0560	0.000	1	134.0560	0.000	1	134.8530	0.863	21	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	134.8640	0.000	1	134.8640	0.000	1	134.8530	0.863	21	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	136.3005	0.432	2	134.8943	0.922	19	134.8530	0.863	21	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|F<1>,1|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	135.3700	0.000	1	134.8943	0.922	19	134.8530	0.863	21	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	134.6300	0.093	3	134.8943	0.922	19	134.8530	0.863	21	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	134.7024	0.980	13	134.8943	0.922	19	134.8530	0.863	21	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(NCC)	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(NCC){1|H<1>,4|C<3>}	135.5130	0.000	1	135.5130	0.000	1	134.3417	1.883	7	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]O[5a])(NCC)	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]O[5a])(NCC){5|C<3>}	135.2530	0.000	1	135.2530	0.000	1	134.3417	1.883	7	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(NCC)	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(NCC){1|H<1>,4|C<3>}	133.9252	1.434	5	133.9252	2.057	5	134.3417	1.883	7	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(SCO)	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(C[6a]C[6a]2){1|F<1>,1|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]F)(C[6a]C[6a]H){1|S<3>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(SCO){1|H<1>,4|C<3>}	135.1994	0.187	5	135.1994	0.035	5	134.8268	0.834	89	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]O[5a])(SCO)	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|S<3>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]O[5a])(SCO){5|C<3>}	134.6865	0.566	4	134.6865	0.320	4	134.8268	0.834	89	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]O[5a])(SC[6a]O)	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|S<3>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]O[5a])(SC[6a]O){5|C<3>}	134.6562	1.448	4	134.6562	2.096	4	134.8268	0.834	89	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(SCO)	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|F<1>,1|H<1>,1|S<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(SCO){1|H<1>,4|C<3>}	134.1752	1.156	9	134.6836	0.767	59	134.8268	0.834	89	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(SCO)	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|S<3>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(SCO){1|H<1>,4|C<3>}	134.7751	0.796	50	134.6836	0.767	59	134.8268	0.834	89	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(SC[6a]O)	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|S<3>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(SC[6a]O){1|H<1>,4|C<3>}	135.2873	0.993	17	135.2873	0.987	17	134.8268	0.834	89	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5,5a]C[5,5a]S[5])(C[5a]C[6a]S[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]2){1|S<4>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](C[5,5a]C[5,5a]S[5])(C[5a]C[6a]S[5a])(C[6a]C[6a]2){2|H<1>,2|O<1>,6|C<3>}	130.4915	1.125	2	130.6578	0.476	4	130.6578	0.476	4	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5,5a]C[5,5a]S[5])(C[5a]C[6a]S[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]2){2|H<1>,2|S<2>,4|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](C[5,5a]C[5,5a]S[5])(C[5a]C[6a]S[5a])(C[6a]C[6a]2){1|S<2>,2|H<1>,5|C<3>}	130.8240	0.228	2	130.6578	0.476	4	130.6578	0.476	4	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a,5a]C[5a,5a]N[5a,6])(C[5a]C[6a]S[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](C[5a,5a]C[5a,5a]N[5a,6])(C[5a]C[6a]S[5a])(C[6a]C[6a]2){1|B<4>,2|H<1>,6|C<3>}	129.3950	0.569	2	129.3950	0.323	2	130.0528	0.635	9	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	129.9465	0.247	2	129.9465	0.061	2	130.0528	0.635	9	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]2){1|S<2>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	130.3584	0.914	5	130.3584	0.835	5	130.0528	0.635	9	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(CCH)	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(CCH){1|H<1>,4|C<3>}	128.8150	0.000	1	128.8150	0.000	1	128.1190	0.969	2	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(CC[6a]O)	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(CC[6a]O){1|H<1>,4|C<3>}	127.4230	0.000	1	127.4230	0.000	1	128.1190	0.969	2	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2){1|N<3>,2|H<1>,6|C<3>}	128.8620	0.000	1	129.3970	0.789	5	129.3970	0.789	5	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2){2|F<1>,7|C<3>}	128.1400	0.000	1	129.3970	0.789	5	129.3970	0.789	5	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	129.9943	0.331	3	129.3970	0.789	5	129.3970	0.789	5	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a,6a]N)(S[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(NOO)	C[5a](C[5a]C[5a,6a]N)(S[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(NOO){1|H<1>,4|C<3>}	130.6740	0.000	1	130.6740	0.000	1	130.6740	0.000	1	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]N[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[6a]S[5a])(C[6a]C[6a]2)	C[5a](C[5a]N[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[6a]S[5a])(C[6a]C[6a]2){2|H<1>,2|N<3>,5|C<3>}	128.4050	0.000	1	128.4050	0.000	1	128.4050	0.000	1	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2)	C[5a](C[5a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]2){2|H<1>,2|N<2>,4|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	129.7220	0.000	1	129.7220	0.000	1	129.7220	0.000	1	132.4387	8.440	236	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[6a]N[5a])(CCHH){5|C<3>}	129.7240	0.000	1	129.7240	0.000	1	129.7440	0.001	2	130.9525	11.815	32	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|H<1>,4|C<3>}	129.7640	0.000	1	129.7640	0.000	1	129.7440	0.001	2	130.9525	11.815	32	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a,5a]C)(N[5a]C[5a,5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a](C[5a]N[5a,5a]C)(N[5a]C[5a,5a])(C[6a]C[6a]2){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]N[5a])(CCHH){1|S<2>,4|C<3>}	128.8213	1.153	3	128.8213	1.330	3	128.8213	1.330	3	130.9525	11.815	32	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(CHHN)	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(CHHN){1|N<2>,4|C<3>}	130.0330	1.277	4	130.0330	1.631	4	128.6240	2.189	10	130.9525	11.815	32	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,4|C<3>}	128.2000	0.000	1	128.2000	0.000	1	128.6240	2.189	10	130.9525	11.815	32	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HN)	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HN){1|H<1>,4|C<3>}	127.0530	0.000	1	127.0530	0.000	1	128.6240	2.189	10	130.9525	11.815	32	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CHHN)	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CHHN){1|H<1>,4|C<3>}	127.7380	0.000	1	127.7380	0.000	1	128.6240	2.189	10	130.9525	11.815	32	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CHHO)	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CHHO){1|H<1>,4|C<3>}	126.9940	0.000	1	126.9940	0.000	1	128.6240	2.189	10	130.9525	11.815	32	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CHHS)	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CHHS){1|H<1>,4|C<3>}	128.3290	0.000	1	128.3290	0.000	1	128.6240	2.189	10	130.9525	11.815	32	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CN[6]HH)	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CN[6]HH){1|H<1>,4|C<3>}	127.7940	0.000	1	127.7940	0.000	1	128.6240	2.189	10	130.9525	11.815	32	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]N[5a,6a]S)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC[6a]OO)	C[5a](C[5a]N[5a,6a]S)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|S<4>,2|C<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC[6a]OO){1|H<1>,4|C<3>}	129.5380	0.066	2	129.5380	0.004	2	129.5380	0.004	2	130.9525	11.815	32	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:4:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6]C)(O[5a]C[5a,6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]O[5a])(CC[6a]HO)	C[5a](C[5a]C[5a,6]C)(O[5a]C[5a,6])(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]O[5a])(CC[6a]HO){2|C<4>,3|C<3>}	136.1200	0.000	1	136.1200	0.000	1	135.9870	0.035	2	130.9525	11.815	32	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:4:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6]C)(O[5a]C[5a,6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]O[5a])(CH3)	C[5a](C[5a]C[5a,6]C)(O[5a]C[5a,6])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]O[5a])(CH3){1|O<1>,4|C<3>}	135.8540	0.000	1	135.8540	0.000	1	135.9870	0.035	2	130.9525	11.815	32	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:4:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CH3)	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CH3){1|C<4>,4|C<3>}	135.5060	0.000	1	135.5060	0.000	1	134.5138	0.561	4	130.9525	11.815	32	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:4:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CCHH)	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CCHH){1|H<1>,1|N<2>,3|C<3>}	133.9980	0.000	1	133.9980	0.000	1	134.5138	0.561	4	130.9525	11.815	32	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:4:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CC[6a]HH)	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CC[6a]HH){1|H<1>,4|C<3>}	133.8760	0.000	1	133.8760	0.000	1	134.5138	0.561	4	130.9525	11.815	32	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:4:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CH3)	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|C<4>,2|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CH3){1|C<4>,4|C<3>}	134.6750	0.000	1	134.6750	0.000	1	134.5138	0.561	4	130.9525	11.815	32	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:4:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(SCOO)	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|S<4>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(SCOO){1|H<1>,4|C<3>}	136.2415	0.367	4	136.2415	0.135	4	136.2415	0.135	4	130.9525	11.815	32	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:4:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(CHHO)	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(CHHO){1|H<1>,4|C<3>}	130.9510	0.000	2	130.9510	0.000	2	130.9510	0.000	2	130.9525	11.815	32	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:4:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a,5a]C)(S[5a]C[5a,5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]S[5a])(CH3)	C[5a](C[5a]N[5a,5a]C)(S[5a]C[5a,5a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]S[5a])(CH3){1|H<1>,1|N<2>,3|C<3>}	126.7225	3.685	2	126.7225	13.577	2	127.4383	8.326	3	130.9525	11.815	32	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:4:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a,5a]C)(S[5a]C[5a,5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]S[5a])(CH3)	C[5a](C[5a]N[5a,5a]C)(S[5a]C[5a,5a])(C[6a]C[6a]2){2|C<3>,2|H<1>,2|N<2>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]S[5a])(CH3){1|N<2>,3|C<3>}	128.8700	0.000	1	128.8700	0.000	1	127.4383	8.326	3	130.9525	11.815	32	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:4:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a](C[5a]N[5a,6a]C[6])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]C[6a]N[5a])	C[5a](C[5a]N[5a,6a]C[6])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<3>,3|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,7|C<3>}	127.9250	0.321	2	127.9250	0.103	2	127.9250	0.103	2	131.4733	17.157	4	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:4:3:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:B[5,5]-4:C[5a]-3:	C[5a](C[5a]C[5a,6a]B[5,5])(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5]N[5,5]O[5]2)(C[5a]C[6a]O[5a])	C[5a](C[5a]C[5a,6a]B[5,5])(O[5a]C[5a,6a])(C[6a]C[6a]2){1|N<4>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|B<4>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5]N[5,5]O[5]2)(C[5a]C[6a]O[5a]){1|H<1>,3|C<4>,6|C<3>}	135.7310	0.000	1	135.7310	0.000	1	135.7310	0.000	1	131.4733	17.157	4	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:4:3:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5])(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5]C[5,6a]C[5]H)(C[5a]C[6a]O[5a])	C[5a](C[5a]C[5a,6a]C[5])(O[5a]C[5a,6a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5]C[5,6a]C[5]H)(C[5a]C[6a]O[5a]){1|N<3>,1|O<1>,7|C<3>}	134.3120	0.000	1	134.3120	0.000	1	134.3120	0.000	1	131.4733	17.157	4	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:2:2:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[6a]-2:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a])2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]N[5a]){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a])2{1|C<3>,1|H<1>,1|N<2>,3|N<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){1|C<3>,2|N<2>}	126.1905	1.173	2	126.1905	1.376	2	126.1905	1.376	2	127.6805	4.857	4	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:2:2:	3:3:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:N[6a]-2:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(N[6a]C[6a])2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(O[5a]C[5a]){2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]O[5a])(N[6a]C[6a])2{1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H){1|H<1>,2|N<2>}	127.7020	0.000	1	127.7020	0.000	1	127.7020	0.000	1	127.6805	4.857	4	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:2:2:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:N[6a]-2:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(N[6a]C[6a])2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(S[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a]C[5a]S[5a])(N[6a]C[6a])2{3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|N<3>,2|N<2>}	130.6390	0.000	1	130.6390	0.000	1	130.6390	0.000	1	127.6805	4.857	4	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:2:3:	3:2:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:N[6a]-2:C[6a]-3:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]S[5a]H)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(N[6a]C[6a,6a])(C[6a]N[6a]O)	C[5a](C[5a]C[6a]S[5a])(S[5a]C[5a])(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]S[5a]H)(S[5a]C[5a]){1|C<3>,1|N<3>,2|O<1>}	C[6a](C[5a]C[5a]S[5a])(N[6a]C[6a,6a])(C[6a]N[6a]O){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(S[5a]C[5a])(H){1|C<3>,1|N<2>,1|O<1>}	129.4690	0.000	1	129.4690	0.000	1	129.4690	0.000	1	129.4690	0.000	1	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:2:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[6a]-2:N[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(C[6a]N[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a,6a])(N[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H)	C[5a](C[5a]N[5a]H)(C[6a]N[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a,6a])(N[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H){1|Fe<10>,1|N<2>,1|N<3>,2|C<4>}	130.2800	0.000	1	130.2800	0.000	1	130.2800	0.000	1	131.7289	12.337	15	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:2:3:	3:3:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:N[6a]-2:N[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(N[6a]C[6a,6a])(N[6a]C[6a]2)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(O[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(N[6a]C[6a,6a])(N[6a]C[6a]2){1|H<1>,1|O<1>,6|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H){1|C<4>,1|N<2>,1|N<3>}	138.2670	0.000	1	138.2670	0.000	1	138.2670	0.000	1	131.7289	12.337	15	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:2:3:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[6a]-2:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]N[5a]){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){1|N<2>,3|C<3>}	129.3890	0.000	1	129.3890	0.000	1	129.3890	0.000	1	131.7289	12.337	15	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:2:3:	3:3:1:	C[6a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[6a]-2:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]O[6a])(C[5a]C[5a]H)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(O[6a]C[6a,6a])(C[6a]C[6a]O)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]O[6a])(C[5a]C[5a]H)(O[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]O[5a])(O[6a]C[6a,6a])(C[6a]C[6a]O){1|H<1>,1|O<1>,4|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|O<2>}	134.5853	0.752	3	134.5853	0.565	3	134.5853	0.565	3	131.7289	12.337	15	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:2:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:N[6a]-2:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(N[6a]C[6,6a])(C[6a]C[6a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Cl<1>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]S[5a])(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|Cl<1>,1|C<3>,1|N<2>}	130.6030	0.000	1	128.7960	6.530	2	130.4824	4.891	7	131.7289	12.337	15	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:2:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:N[6a]-2:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(N[6a]C[6,6a])(C[6a]C[6a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]S[5a])(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	126.9890	0.000	1	128.7960	6.530	2	130.4824	4.891	7	131.7289	12.337	15	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:2:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:N[6a]-2:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(N[6a]C[6a,6a])(C[6a]C[6a]C)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]S[5a])(N[6a]C[6a,6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,4|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	132.3480	0.000	1	132.3480	0.000	1	130.4824	4.891	7	131.7289	12.337	15	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:2:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:N[6a]-2:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|I<1>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]S[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|I<1>,1|N<2>}	129.4640	0.000	1	129.7320	0.144	2	130.4824	4.891	7	131.7289	12.337	15	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:2:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:N[6a]-2:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|N<2>,2|C<3>}	130.0000	0.000	1	129.7320	0.144	2	130.4824	4.891	7	131.7289	12.337	15	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:2:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:N[6a]-2:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(N[6a]C[6a,6a])(C[6a]N[6a]C)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<2>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6a](C[5a]C[5a]S[5a])(N[6a]C[6a,6a])(C[6a]N[6a]C){1|H<1>,4|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|N<2>,1|O<2>}	133.9680	0.000	1	133.9680	0.000	1	130.4824	4.891	7	131.7289	12.337	15	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:2:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:N[6a]-2:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(N[6a]C[6a,6a])(C[6a]N[6a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|N<2>,3|H<1>}	C[6a](C[5a]C[5a]S[5a])(N[6a]C[6a,6a])(C[6a]N[6a]H){1|H<1>,4|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	130.0050	0.000	1	130.0050	0.000	1	130.4824	4.891	7	131.7289	12.337	15	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:2:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:N[6a]-2:C[6a]-3:	C[5a]-3:C[5a]-3:I-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]I)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(I)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]I)(S[5a]C[5a]){1|I<1>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]S[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|I<1>,4|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(I){1|C<3>,1|I<1>,1|N<2>}	135.5900	0.000	1	135.5900	0.000	1	135.5900	0.000	1	131.7289	12.337	15	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:2:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:O[6a]-2:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]O[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(O[6a]C[6a,6a])(C[6a]C[6a]O)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]O[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(O[6a]C[6a,6a])(C[6a]C[6a]O){1|H<1>,1|O<1>,4|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|O<2>,2|C<3>}	125.2750	0.000	1	125.2750	0.000	1	125.2750	0.000	1	131.7289	12.337	15	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:2:3:	3:3:4:	C[6a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:N[6a]-2:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(CH3)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(O[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]O[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(CH3){1|C<3>,1|N<2>,1|O<2>}	135.0120	0.000	1	135.0120	0.000	1	135.0120	0.000	1	135.0120	0.000	1	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:2:1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]S[5a]H)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]S[5a]H)(N[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H){1|C<3>,1|N<2>,1|N<3>}	124.6400	0.203	3	124.6400	0.041	3	124.6400	0.041	3	125.5065	3.031	4	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:2:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]S[5a]H)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[6a]S[5a])(S[5a]C[5a])(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]S[5a]H)(S[5a]C[5a]){1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]S[5a])(S[5a]C[5a])(H){1|C<3>,1|N<2>,1|O<1>}	128.1060	0.000	1	128.1060	0.000	1	128.1060	0.000	1	125.5065	3.031	4	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:2:4:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]C)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(CH3)	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]C)(S[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|N<2>}	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(CH3){1|C<3>,1|N<2>,1|N<3>}	132.4183	0.780	4	132.6185	0.493	6	132.6185	0.493	6	132.6185	0.493	6	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:2:4:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]C)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(CH3)	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]C)(S[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(CH3){1|C<3>,1|N<2>,1|N<3>}	133.0190	0.399	2	132.6185	0.493	6	132.6185	0.493	6	132.6185	0.493	6	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6,6,6a]H)(N[6a]C[6a])	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]){1|B<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6,6,6a]H)(N[6a]C[6a]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){1|B<4>,1|C<3>,1|N<2>}	130.2750	1.134	2	130.2750	1.286	2	128.4064	0.875	39	130.0016	3.703	186	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){1|C<3>,1|H<1>,1|N<2>}	128.2650	0.000	1	127.8190	0.282	4	128.4064	0.875	39	130.0016	3.703	186	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){1|C<3>,1|C<4>,1|N<2>}	127.9535	0.317	2	127.8190	0.282	4	128.4064	0.875	39	130.0016	3.703	186	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]){1|Ir<6>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){1|Ir<6>,1|C<3>,1|N<2>}	127.1040	0.000	1	127.8190	0.282	4	128.4064	0.875	39	130.0016	3.703	186	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]){1|B<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){1|B<4>,1|C<3>,1|N<2>}	128.7580	1.635	2	128.3133	0.773	29	128.4064	0.875	39	130.0016	3.703	186	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){1|C<3>,1|C<4>,1|N<2>}	128.3143	0.842	26	128.3133	0.773	29	128.4064	0.875	39	130.0016	3.703	186	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){1|N<2>,2|C<3>}	127.3990	0.000	1	128.3133	0.773	29	128.4064	0.875	39	130.0016	3.703	186	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[6a]N[5a])2(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])2(H){1|C<4>,1|N<2>,3|C<3>}	128.5095	0.039	2	128.7337	0.143	4	128.4064	0.875	39	130.0016	3.703	186	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[6a]N[5a])2(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])2(H){1|H<1>,1|N<2>,3|C<3>}	129.2950	0.000	1	128.7337	0.143	4	128.4064	0.875	39	130.0016	3.703	186	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[6a]N[5a])2(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])2(H){1|H<1>,2|C<3>,2|N<2>}	128.6210	0.000	1	128.7337	0.143	4	128.4064	0.875	39	130.0016	3.703	186	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:I-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]I)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(I)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]I)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|I<1>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(I){1|C<3>,1|C<4>,1|N<2>}	132.5670	0.000	1	132.5670	0.000	1	132.5670	0.000	1	130.0016	3.703	186	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]N[5a]){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){1|N<2>,3|C<3>}	129.6397	0.723	15	129.5756	0.596	17	129.5586	0.561	45	130.0016	3.703	186	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]N[5a]){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){1|N<2>,3|C<3>}	129.0950	1.298	2	129.5756	0.596	17	129.5586	0.561	45	130.0016	3.703	186	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){1|C<3>,1|N<2>}	129.3598	0.659	13	129.5301	0.632	24	129.5586	0.561	45	130.0016	3.703	186	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){1|C<3>,1|N<2>}	129.7315	0.921	11	129.5301	0.632	24	129.5586	0.561	45	130.0016	3.703	186	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	130.2200	0.000	1	129.6577	0.187	4	129.5586	0.561	45	130.0016	3.703	186	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H){1|Fe<10>,1|C<3>,1|N<2>,2|C<4>}	129.4703	0.264	3	129.6577	0.187	4	129.5586	0.561	45	130.0016	3.703	186	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:O[5a]-2:	C[5,6a]-3:C[5a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[5,6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a])	C[6a](C[5,6a]C[5,6a]2)(C[5a]C[5a]O[5a])(N[6a]N[6a])	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[5,6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[5a]C[5a]O[5a])(N[6a]N[6a]){1|H<1>,6|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	132.6390	2.396	2	132.6390	5.739	2	134.4043	3.205	6	130.0016	3.703	186	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:O[5a]-2:	C[5,6a]-3:C[5a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[5,6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a])	C[6a](C[5,6a]C[5,6a]C[5])(C[5a]C[5a]O[5a])(N[6a]N[6a])	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[5,6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a]){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5a]C[5a]O[5a])(N[6a]N[6a]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H){1|Br<1>,1|C<3>,1|N<2>}	135.2870	0.559	4	135.2870	0.313	4	134.4043	3.205	6	130.0016	3.703	186	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:O[5a]-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]H)(O[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]O[5a])(N[6a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(H)	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]H)(O[5a]C[5a,6a]){5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]O[5a])(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,1|O<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(H){1|H<1>,1|N<2>,3|C<3>}	130.8310	0.000	1	130.8310	0.000	1	131.0435	0.090	2	130.0016	3.703	186	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:O[5a]-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]H)(O[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]O[5a])(N[6a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(H)	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]H)(O[5a]C[5a,6a]){1|N<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]O[5a])(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(H){1|H<1>,1|N<2>,3|C<3>}	131.2560	0.000	1	131.2560	0.000	1	131.0435	0.090	2	130.0016	3.703	186	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:O[5a]-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]O[5a])(N[6a]N[6a])	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a]){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]O[5a])(N[6a]N[6a]){1|H<1>,6|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H){1|Br<1>,1|C<3>,1|N<2>}	130.4013	0.785	4	130.4013	0.617	4	131.4693	3.711	10	130.0016	3.703	186	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:O[5a]-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]O[5a])(N[6a]C[6a])	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]O[5a])(N[6a]C[6a]){1|N<3>,2|C<3>,2|N<2>,3|H<1>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	132.4870	0.000	1	132.4870	0.000	1	131.4693	3.711	10	130.0016	3.703	186	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:O[5a]-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]O[5a])(N[6a]N[6a])	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]O[5a])(N[6a]N[6a]){3|H<1>,5|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	132.3090	4.855	2	132.3090	23.571	2	131.4693	3.711	10	130.0016	3.703	186	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:O[5a]-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]O[5a])(N[6a]C[6a])	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]O[5a])(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	132.0450	0.356	2	131.9943	0.071	3	131.4693	3.711	10	130.0016	3.703	186	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:O[5a]-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]O[5a])(N[6a]C[6a])	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]O[5a])(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	131.8930	0.000	1	131.9943	0.071	3	131.4693	3.711	10	130.0016	3.703	186	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H)(O[5a]C[5a,6a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H)(O[5a]C[5a,6a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	131.4490	0.000	1	131.4490	0.000	1	131.4490	0.000	1	130.0016	3.703	186	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a])	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a]){1|H<1>,1|O<2>,5|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	132.0780	0.000	1	132.0780	0.000	1	133.5575	1.832	4	130.0016	3.703	186	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a])	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a]){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	135.2570	0.000	1	135.2570	0.000	1	133.5575	1.832	4	130.0016	3.703	186	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[5a]N[6a])(N[6a]N[6a])	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[5a]N[6a])(N[6a]N[6a]){1|H<1>,1|O<2>,4|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	133.0030	0.000	1	133.0030	0.000	1	133.5575	1.832	4	130.0016	3.703	186	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a]){2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	133.8920	0.000	1	133.8920	0.000	1	133.5575	1.832	4	130.0016	3.703	186	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:O[5a]-2:	C[6,6a]-3:C[5a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6,6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a])	C[6a](C[6,6a]C[6,6a]C[6])(C[5a]C[5a]O[5a])(N[6a]C[6a,6a])	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6,6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[5a]C[5a]O[5a])(N[6a]C[6a,6a]){2|C<4>,3|H<1>,4|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	137.5860	0.000	1	137.5860	0.000	1	137.5860	0.000	1	130.0016	3.703	186	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5,6a]-3:C[5a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[5,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5,6a]C[5,6a]2)(C[5a]C[5a]S[5a])(N[6a]N[6a])	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[5,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[5a]C[5a]S[5a])(N[6a]N[6a]){1|H<1>,6|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	128.4450	0.000	1	128.4450	0.000	1	131.0070	5.009	3	130.0016	3.703	186	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5,6a]-3:C[5a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[5,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5,6a]C[5,6a]C[5])(C[5a]C[5a]S[5a])(N[6a]N[6a])	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[5,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5a]C[5a]S[5a])(N[6a]N[6a]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|Br<1>,1|C<3>,1|N<2>}	132.2880	0.416	2	132.2880	0.173	2	131.0070	5.009	3	130.0016	3.703	186	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]S[5a])(N[6a]C[6a])	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]S[5a])(N[6a]C[6a]){1|H<1>,1|N<3>,6|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	130.2280	0.000	1	130.2280	0.000	1	129.5303	1.309	6	130.0016	3.703	186	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(N[6a]C[6a])	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	128.5370	0.182	2	129.0113	0.692	3	129.5303	1.309	6	130.0016	3.703	186	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(N[6a]C[6a])	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(N[6a]C[6a]){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	129.9600	0.000	1	129.0113	0.692	3	129.5303	1.309	6	130.0016	3.703	186	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[5a]C[5a]S[5a])(N[6a]C[5a,6a])	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[5a]C[5a]S[5a])(N[6a]C[5a,6a]){2|H<1>,6|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|N<2>}	131.2820	0.000	1	129.9600	3.495	2	129.5303	1.309	6	130.0016	3.703	186	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[5a]C[5a]S[5a])(N[6a]C[5a,6a])	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[5a]C[5a]S[5a])(N[6a]C[5a,6a]){2|H<1>,6|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	128.6380	0.000	1	129.9600	3.495	2	129.5303	1.309	6	130.0016	3.703	186	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a])	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a]){1|H<1>,1|S<2>,5|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|Br<1>,1|C<3>,1|N<2>}	131.3380	0.407	4	130.9647	2.703	22	130.0238	2.680	58	130.0016	3.703	186	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a])	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a]){1|H<1>,1|S<2>,5|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|Cl<1>,1|C<3>,1|N<2>}	131.2330	1.962	6	130.9647	2.703	22	130.0238	2.680	58	130.0016	3.703	186	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a])	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a]){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	130.4105	2.111	2	130.9647	2.703	22	130.0238	2.680	58	130.0016	3.703	186	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a])	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a]){1|H<1>,1|S<2>,5|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	130.7652	1.842	10	130.9647	2.703	22	130.0238	2.680	58	130.0016	3.703	186	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a])	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a]){1|C<2>,1|H<1>,1|S<2>,4|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|N<2>,1|O<2>}	131.7510	0.648	2	131.7510	0.420	2	130.0238	2.680	58	130.0016	3.703	186	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]C)(N[6a]C[6a])	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]C)(N[6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,1|S<2>,2|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	131.3080	0.000	1	131.0420	2.776	4	130.0238	2.680	58	130.0016	3.703	186	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]C)(N[6a]C[6a])	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]C)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	130.9533	2.029	3	131.0420	2.776	4	130.0238	2.680	58	130.0016	3.703	186	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]F)(N[6a]C[6a])	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<2>,1|F<1>,1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]F)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|C<2>,1|C<3>,1|N<2>}	131.1810	0.000	1	131.1810	0.000	1	130.0238	2.680	58	130.0016	3.703	186	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	127.2510	0.000	1	128.6479	0.755	20	130.0238	2.680	58	130.0016	3.703	186	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,5|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	127.8930	0.000	1	128.6479	0.755	20	130.0238	2.680	58	130.0016	3.703	186	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	128.5750	0.694	4	128.6479	0.755	20	130.0238	2.680	58	130.0016	3.703	186	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	128.9350	0.000	1	128.6479	0.755	20	130.0238	2.680	58	130.0016	3.703	186	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|N<2>,2|C<3>}	129.5930	0.000	1	128.6479	0.755	20	130.0238	2.680	58	130.0016	3.703	186	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|N<2>,2|C<3>}	128.7489	0.918	12	128.6479	0.755	20	130.0238	2.680	58	130.0016	3.703	186	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(N[6a]N[6a])	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|N<2>,3|H<1>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(N[6a]N[6a]){2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	128.9975	0.407	2	128.9975	0.165	2	130.0238	2.680	58	130.0016	3.703	186	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]N[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6a](C[5a]C[5a]S[5a])(C[6a]N[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(H){1|Br<1>,1|C<3>,1|N<2>}	130.4320	0.386	4	130.4320	0.149	4	130.0238	2.680	58	130.0016	3.703	186	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]N[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|N<2>,3|H<1>}	C[6a](C[5a]C[5a]S[5a])(C[6a]N[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	129.4620	0.000	2	129.5417	0.019	3	130.0238	2.680	58	130.0016	3.703	186	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]N[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]S[5a])(C[6a]N[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|N<2>,2|C<3>}	129.7010	0.000	1	129.5417	0.019	3	130.0238	2.680	58	130.0016	3.703	186	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	N[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a,5a]H)(S[5a]C[5a,5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]S[5a])(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a,5a]H)(S[5a]C[5a,5a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]S[5a])(H){2|N<2>,3|C<3>}	130.6400	0.502	2	130.6400	0.252	2	130.6400	0.252	2	130.0016	3.703	186	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6,6a]-3:C[5a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5a]C[5a]S[5a])(N[6a]C[6,6a])	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5a]C[5a]S[5a])(N[6a]C[6,6a]){1|H<1>,2|C<4>,5|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	131.2050	0.000	1	131.2050	0.000	1	131.3390	0.036	2	130.0016	3.703	186	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6,6a]-3:C[5a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[6,6a]C[6,6a]C[6])(C[5a]C[5a]S[5a])(N[6a]C[6a,6a])	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[5a]C[5a]S[5a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	131.4730	0.000	1	131.4730	0.000	1	131.3390	0.036	2	130.0016	3.703	186	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a,6a]-3:C[5a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5a]C[5a]S[5a])(N[6a]C[6a])	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5a]C[5a]S[5a])(N[6a]C[6a]){2|H<1>,6|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|N<2>}	131.6745	0.954	2	131.6745	0.910	2	130.9062	3.629	5	130.0016	3.703	186	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a,6a]-3:C[5a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]S[5a])(N[6a]C[5a,6a])	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]S[5a])(N[6a]C[5a,6a]){1|N<3>,2|H<1>,5|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	133.0530	0.000	1	133.0530	0.000	1	130.9062	3.629	5	130.0016	3.703	186	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a,6a]-3:C[5a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]S[5a])(N[6a]N[6a])	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]S[5a])(N[6a]N[6a]){2|H<1>,5|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	129.0645	1.016	2	129.0645	1.032	2	130.9062	3.629	5	130.0016	3.703	186	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a]-3:C[5a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(N[6a]C[6a])	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(N[6a]C[6a]){1|H<1>,1|N<3>,6|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	133.1920	0.000	1	133.1920	0.000	1	133.1920	0.000	1	130.0016	3.703	186	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]N[6a])(N[5a]S[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])(N[5a]S[5a])	C[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]N[6a])(N[5a]S[5a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])(N[5a]S[5a]){1|S<2>,2|C<3>,2|N<2>}	127.4975	0.206	2	127.4975	0.042	2	127.4975	0.042	2	129.6182	7.351	4	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a])(N[5a]O[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a])(N[5a]O[5a])	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a])(N[5a]O[5a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a])(N[5a]O[5a]){1|H<1>,1|N<2>,3|C<3>}	131.7390	2.005	2	131.7390	4.021	2	131.7390	4.021	2	129.6182	7.351	4	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5,5a]-3:C[6a]-3:C[5a]-3:	C[5a](C[5a]C[5,5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5,5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5,5a]N[5,5a]C[5])(C[6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[5a]C[5,5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5,5a]){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5,5a]N[5,5a]C[5])(C[6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a]){1|N<2>,2|C<4>,3|H<1>,4|C<3>}	127.9090	1.101	19	127.9090	1.213	19	127.9090	1.213	19	128.6685	4.125	23	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a])(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a])(N[5a]C[5a]H){1|H<1>,1|N<2>,4|C<3>}	133.1985	0.647	2	133.1985	0.419	2	133.1985	0.419	2	128.6685	4.125	23	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]2)(N[5a]O[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[5a]O[5a])(C[5a]C[6a]N[5a])(C[5a]O[5a]H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]2)(N[5a]O[5a]){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]O[5a])(C[5a]C[6a]N[5a])(C[5a]O[5a]H){2|N<2>,3|C<3>}	130.3350	0.000	1	130.3350	0.000	1	130.3350	0.000	1	128.6685	4.125	23	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[6]-3:N[5a]-3:	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]C[6])(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[6a]N[5a])(C[6]C[6]N[6])(N[5a]C[5a]Ir)	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]C[6])(N[5a]C[5a]){1|Ir<6>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6]C[6]N[6])(N[5a]C[5a]Ir){1|H<1>,1|N<2>,4|C<3>}	132.3720	0.000	1	132.3720	0.000	1	132.3720	0.000	1	128.6685	4.125	23	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:4:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[6a]N[5a])2(CH3)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])2(CH3){1|H<1>,2|C<3>,2|N<2>}	127.6550	0.000	1	127.6550	0.000	1	127.6550	0.000	1	128.9630	3.422	2	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:4:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:O[6a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]O[6a])(C[5a]C[5a]C)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a,6a]H)(O[6a]C[6a])	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(CCHH)	C[5a](C[6a]C[6a]O[6a])(C[5a]C[5a]C)(S[5a]C[5a]){2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a,6a]H)(O[6a]C[6a]){1|C<4>,1|O<1>,4|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(CCHH){1|C<3>,1|H<1>,1|O<2>}	130.2710	0.000	1	130.2710	0.000	1	130.2710	0.000	1	128.9630	3.422	2	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:Br-1:	C[5a](C[5a]N[5a]Br)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(Br)	C[5a](C[5a]N[5a]Br)(C[6a]C[6a]2)(N[5a]N[5a]){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(Br){1|C<4>,2|C<3>}	130.2020	0.000	1	130.2020	0.000	1	130.2020	0.000	1	128.8406	8.547	164	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H){1|C<4>,2|C<3>}	130.3349	0.696	20	130.3497	0.513	32	130.3497	0.513	32	128.8406	8.547	164	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H){1|H<1>,2|C<3>}	130.6080	0.000	1	130.3497	0.513	32	130.3497	0.513	32	128.8406	8.547	164	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H){3|C<3>}	130.2070	0.000	1	130.3497	0.513	32	130.3497	0.513	32	128.8406	8.547	164	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H){3|C<3>}	130.3677	0.857	10	130.3497	0.513	32	130.3497	0.513	32	128.8406	8.547	164	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a](C[5a]O[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(H)	C[5a](C[5a]O[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(H){1|C<4>,2|C<3>}	129.1130	0.318	3	129.1130	0.101	3	129.1130	0.101	3	128.8406	8.547	164	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:Br-1:	C[5a](C[5a]S[5a]Br)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]F)2	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(Br)	C[5a](C[5a]S[5a]Br)(C[6a]C[6a]2)(N[5a]C[5a]){2|F<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]F)2{1|Br<1>,1|S<2>,2|C<3>,2|F<1>}	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(Br){3|C<3>}	126.5220	0.000	1	126.5220	0.000	1	128.0430	2.718	4	128.8406	8.547	164	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:Br-1:	C[5a](C[5a]S[5a]Br)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(Br)	C[5a](C[5a]S[5a]Br)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Br<1>,1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(Br){1|N<2>,2|C<3>}	126.8870	0.000	1	128.5500	2.535	3	128.0430	2.718	4	128.8406	8.547	164	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:Br-1:	C[5a](C[5a]S[5a]Br)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(Br)	C[5a](C[5a]S[5a]Br)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Br<1>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(Br){1|N<3>,2|C<3>}	129.3815	0.960	2	128.5500	2.535	3	128.0430	2.718	4	128.8406	8.547	164	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H)	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H){1|N<2>,2|C<3>}	126.4765	0.023	2	126.4765	0.001	2	126.8352	0.842	84	128.8406	8.547	164	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]H)(C[6a]O[6a]O)	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H)	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]H)(C[6a]O[6a]O){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H){1|N<2>,2|C<3>}	128.1010	0.000	1	127.5812	0.409	19	126.8352	0.842	84	128.8406	8.547	164	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]H)(C[6a]O[6a]O)	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H)	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]H)(C[6a]O[6a]O){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H){1|N<3>,2|C<3>}	127.5523	0.645	18	127.5812	0.409	19	126.8352	0.842	84	128.8406	8.547	164	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H)	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H){1|C<4>,2|C<3>}	129.7090	0.000	1	128.3190	3.864	2	126.8352	0.842	84	128.8406	8.547	164	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H)	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H){1|N<3>,2|C<3>}	126.9290	0.000	1	128.3190	3.864	2	126.8352	0.842	84	128.8406	8.547	164	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]F)2	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H)	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|F<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]F)2{1|H<1>,1|S<2>,2|C<3>,2|F<1>}	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H){3|C<3>}	126.4660	0.000	1	126.4660	0.000	1	126.8352	0.842	84	128.8406	8.547	164	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H)	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H){1|N<3>,2|C<3>}	129.0660	0.000	1	127.8805	2.811	2	126.8352	0.842	84	128.8406	8.547	164	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H)	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H){3|C<3>}	126.6950	0.000	1	127.8805	2.811	2	126.8352	0.842	84	128.8406	8.547	164	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H)	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|Br<1>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|S<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H){1|Br<1>,2|C<3>}	126.6310	0.000	1	126.5224	0.572	58	126.8352	0.842	84	128.8406	8.547	164	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H)	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|S<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H){1|C<4>,2|C<3>}	126.5487	0.660	4	126.5224	0.572	58	126.8352	0.842	84	128.8406	8.547	164	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H)	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|S<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H){1|N<2>,2|C<3>}	127.0920	0.000	1	126.5224	0.572	58	126.8352	0.842	84	128.8406	8.547	164	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H)	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|S<2>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H){1|N<3>,2|C<3>}	126.7490	0.000	1	126.5224	0.572	58	126.8352	0.842	84	128.8406	8.547	164	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H)	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H){1|N<3>,2|C<3>}	125.7330	0.561	2	126.5224	0.572	58	126.8352	0.842	84	128.8406	8.547	164	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H)	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|S<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H){1|N<3>,2|C<3>}	126.5061	0.800	40	126.5224	0.572	58	126.8352	0.842	84	128.8406	8.547	164	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H)	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|S<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H){1|S<2>,2|C<3>}	126.0710	0.000	1	126.5224	0.572	58	126.8352	0.842	84	128.8406	8.547	164	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H)	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H){3|C<3>}	127.7470	0.000	1	126.5224	0.572	58	126.8352	0.842	84	128.8406	8.547	164	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H)	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|S<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H){3|C<3>}	126.5861	0.664	7	126.5224	0.572	58	126.8352	0.842	84	128.8406	8.547	164	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:I-1:	C[5a](C[5a]S[5a]I)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(I)	C[5a](C[5a]S[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|I<1>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(I){1|N<3>,2|C<3>}	129.7830	0.332	2	129.7830	0.110	2	129.7830	0.110	2	128.8406	8.547	164	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:Br-1:	C[5a](C[5a]N[5a]Br)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(Br)	C[5a](C[5a]N[5a]Br)(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|Br<1>,1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(Br){3|C<3>}	137.4020	0.000	1	137.4020	0.000	1	137.4020	0.000	1	128.8406	8.547	164	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(H){3|C<3>}	133.9665	0.125	2	133.9665	0.016	2	135.1617	0.834	19	128.8406	8.547	164	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a,6a]H)(C[6a]O[6a]O)	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a,6a]H)(C[6a]O[6a]O){1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(H){1|H<1>,2|C<3>}	135.9220	0.000	1	135.9220	0.000	1	135.1617	0.834	19	128.8406	8.547	164	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(H){3|C<3>}	135.3025	0.412	2	135.3025	0.170	2	135.1617	0.834	19	128.8406	8.547	164	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(H){1|N<3>,2|C<3>}	136.4130	0.000	1	135.2581	0.863	14	135.1617	0.834	19	128.8406	8.547	164	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(H){3|C<3>}	135.1692	0.903	13	135.2581	0.863	14	135.1617	0.834	19	128.8406	8.547	164	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6,6a]H)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(H){3|C<3>}	129.1873	0.637	6	129.1873	0.405	6	128.6718	0.598	13	128.8406	8.547	164	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]F)2	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|H<1>,2|C<3>,2|F<1>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]F)2{1|H<1>,1|N<2>,2|C<3>,2|F<1>}	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(H){1|H<1>,2|C<3>}	128.3190	0.000	1	128.3190	0.000	1	128.6718	0.598	13	128.8406	8.547	164	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{1|C<3>,2|N<2>,3|H<1>}	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(H){3|C<3>}	128.0375	0.750	2	128.2152	0.436	6	128.6718	0.598	13	128.8406	8.547	164	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(H){3|C<3>}	128.3040	0.713	4	128.2152	0.436	6	128.6718	0.598	13	128.8406	8.547	164	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]S[5a])(S[5a]C[5a])(H)	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(S[5a]C[5a])(H){1|O<1>,2|C<3>}	127.0590	0.000	1	127.0590	0.000	1	127.0590	0.000	1	128.8406	8.547	164	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]S[5a]H)(N[5a]C[5a])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]S[5a]H)(N[5a]C[5a]){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|S<2>,3|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H){1|N<3>,2|C<3>}	125.0400	0.000	1	125.0400	0.000	1	125.0400	0.000	1	128.8406	8.547	164	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H)	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(H)	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(S[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>,2|N<2>}	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(H){1|H<1>,2|C<3>}	128.3063	2.047	3	128.3063	4.189	3	128.3063	4.189	3	128.8406	8.547	164	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-2:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CN)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CN){1|C<4>,2|C<3>}	131.8110	0.000	1	132.0275	0.094	2	132.0275	0.094	2	130.7994	3.849	12	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-2:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CN)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CN){3|C<3>}	132.2440	0.000	1	132.0275	0.094	2	132.0275	0.094	2	130.7994	3.849	12	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:N-2:	C[5a](C[5a]O[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(NC)	C[5a](C[5a]O[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(NC){3|C<3>}	130.6105	0.456	2	130.6105	0.208	2	130.6105	0.208	2	130.7994	3.849	12	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:O-2:	C[5a](C[5a]O[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(OC)	C[5a](C[5a]O[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Br<1>,1|H<1>,2|C<3>,2|O<2>}	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(OC){1|C<4>,2|C<3>}	131.7320	0.000	1	130.3985	3.556	2	130.3985	3.556	2	130.7994	3.849	12	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:O-2:	C[5a](C[5a]O[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(OC)	C[5a](C[5a]O[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|O<2>}	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(OC){1|C<4>,2|C<3>}	129.0650	0.000	1	130.3985	3.556	2	130.3985	3.556	2	130.7994	3.849	12	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:2:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-2:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(CC)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|C<2>,1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(CC){3|C<3>}	135.8050	0.000	1	135.8050	0.000	1	135.8050	0.000	1	130.7994	3.849	12	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:2:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:O-2:	C[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(OC)	C[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(S[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(OC){3|C<3>}	130.2105	0.738	2	130.2105	0.544	2	130.2105	0.544	2	130.7994	3.849	12	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:2:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:O-2:	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H)	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(OC)	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(S[5a]C[5a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H){1|H<1>,1|O<2>,1|S<2>,2|C<3>,2|N<2>}	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(OC){3|C<3>}	129.0980	0.213	3	129.0980	0.046	3	129.0980	0.046	3	130.7994	3.849	12	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CCO)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CCO){3|C<3>}	134.4140	0.000	1	134.4140	0.000	1	132.6285	1.246	15	131.8369	9.197	41	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CC[5a]O)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CC[5a]O){1|C<4>,2|C<3>}	133.5750	0.000	1	133.5750	0.000	1	132.6285	1.246	15	131.8369	9.197	41	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CC[6a]C)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CC[6a]C){3|C<3>}	131.6615	0.285	2	131.6615	0.081	2	132.6285	1.246	15	131.8369	9.197	41	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CC[6a]O)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CC[6a]O){1|C<4>,2|C<3>}	132.1840	0.187	2	132.5559	1.135	11	132.6285	1.246	15	131.8369	9.197	41	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CC[6a]O)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CC[6a]O){3|C<3>}	132.6386	1.171	9	132.5559	1.135	11	132.6285	1.246	15	131.8369	9.197	41	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(NCS)	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,2|H<1>,2|N<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(NCS){1|C<4>,2|C<3>}	131.8200	0.000	1	131.8200	0.000	1	131.8200	0.000	1	131.8369	9.197	41	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:C-3:	C[5a](C[5a]O[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(CCC)	C[5a](C[5a]O[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(CCC){1|C<4>,2|C<3>}	128.8240	0.000	1	128.8240	0.000	1	132.5030	10.290	3	131.8369	9.197	41	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:C-3:	C[5a](C[5a]O[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(CC[6a]O)	C[5a](C[5a]O[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(CC[6a]O){3|C<3>}	133.9700	0.000	1	133.9700	0.000	1	132.5030	10.290	3	131.8369	9.197	41	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:C-3:	C[5a](C[5a]O[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(COO)	C[5a](C[5a]O[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(COO){1|C<4>,2|C<3>}	134.7150	0.000	1	134.7150	0.000	1	132.5030	10.290	3	131.8369	9.197	41	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:N-3:	C[5a](C[5a]O[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(NCH)	C[5a](C[5a]O[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(NCH){3|C<3>}	130.5910	0.000	1	130.5910	0.000	1	130.5780	0.080	3	131.8369	9.197	41	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:N-3:	C[5a](C[5a]O[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(NCS)	C[5a](C[5a]O[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(NCS){3|C<3>}	130.5715	0.400	2	130.5715	0.160	2	130.5780	0.080	3	131.8369	9.197	41	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:C-3:	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(CCC)	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(CCC){1|N<3>,2|C<3>}	126.1560	0.000	1	126.1560	0.000	1	127.5936	1.175	5	131.8369	9.197	41	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:C-3:	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(CC[6a]O)	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(CC[6a]O){1|N<3>,2|C<3>}	127.2730	0.000	1	127.2730	0.000	1	127.5936	1.175	5	131.8369	9.197	41	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:C-3:	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(COO)	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(COO){1|N<3>,2|C<3>}	128.1797	0.866	3	128.1797	0.751	3	127.5936	1.175	5	131.8369	9.197	41	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:N-3:	C[5a](C[5a]S[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(NC[6a]2)	C[5a](C[5a]S[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(NC[6a]2){3|C<3>}	128.2060	0.000	1	128.2060	0.000	1	127.8025	0.314	4	131.8369	9.197	41	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:N-3:	C[5a](C[5a]S[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(NC[6a]2)	C[5a](C[5a]S[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(NC[6a]2){3|C<3>}	127.6680	0.602	3	127.6680	0.363	3	127.8025	0.314	4	131.8369	9.197	41	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(COO)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(COO){1|C<4>,2|C<3>}	138.2980	0.000	1	136.9085	3.861	2	136.9085	3.861	2	131.8369	9.197	41	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(COO)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{2|Cl<1>,1|N<2>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(COO){3|C<3>}	135.5190	0.000	1	136.9085	3.861	2	136.9085	3.861	2	131.8369	9.197	41	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(NCS)	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(NCS){1|C<4>,2|C<3>}	138.5460	0.000	1	138.5460	0.000	1	137.6545	1.590	2	131.8369	9.197	41	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(NC[6a]S)	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(NC[6a]S){3|C<3>}	136.7630	0.000	1	136.7630	0.000	1	137.6545	1.590	2	131.8369	9.197	41	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:N[5]-3:	C[5a](C[5a]N[5a]N[5])(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(N[5]C[5]2)	C[5a](C[5a]N[5a]N[5])(C[6a]C[6a]2)(O[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(N[5]C[5]2){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	136.4910	0.000	1	136.4910	0.000	1	136.4910	0.000	1	131.8369	9.197	41	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(COO)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(S[5a]C[5a]){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(COO){1|N<3>,2|C<3>}	132.4130	0.014	2	132.4130	0.000	2	132.5505	0.366	4	131.8369	9.197	41	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(CNO)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(S[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(CNO){3|C<3>}	131.9730	0.000	1	131.9730	0.000	1	132.5505	0.366	4	131.8369	9.197	41	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(COO)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(S[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(COO){3|C<3>}	133.4030	0.000	1	133.4030	0.000	1	132.5505	0.366	4	131.8369	9.197	41	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:C-3:	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]S[5a])(S[5a]C[5a])(COO)	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(S[5a]C[5a]){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(S[5a]C[5a])(COO){1|O<1>,2|C<3>}	129.8240	0.000	1	129.8240	0.000	1	129.8240	0.000	1	131.8369	9.197	41	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CCHO)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|Cl<1>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CCHO){1|H<1>,2|C<3>}	130.5930	0.000	1	130.5930	0.000	1	130.5930	0.000	1	129.8723	8.525	29	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a](C[5a]O[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]C[6a])(C[6a]C[6a]F)	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(CH3)	C[5a](C[5a]O[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|F<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]C[6a])(C[6a]C[6a]F){1|C<4>,1|N<2>,1|O<2>,2|F<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(CH3){3|C<3>}	128.6210	0.984	2	128.6210	0.969	2	130.3045	1.948	6	129.8723	8.525	29	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a](C[5a]O[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(CF3)	C[5a](C[5a]O[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(CF3){3|C<3>}	130.7580	0.000	1	130.7580	0.000	1	130.3045	1.948	6	129.8723	8.525	29	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a](C[5a]O[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(CC3)	C[5a](C[5a]O[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(CC3){1|C<4>,2|C<3>}	131.2910	0.000	1	131.2910	0.000	1	130.3045	1.948	6	129.8723	8.525	29	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a](C[5a]O[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(CC[6a]HS)	C[5a](C[5a]O[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(CC[6a]HS){3|C<3>}	131.0850	0.000	1	131.0850	0.000	1	130.3045	1.948	6	129.8723	8.525	29	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a](C[5a]O[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(CSiHH)	C[5a](C[5a]O[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(CSiHH){3|C<3>}	131.4510	0.000	1	131.4510	0.000	1	130.3045	1.948	6	129.8723	8.525	29	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]C[6a])(C[6a]C[6a]F)	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(CH3)	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|F<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]C[6a])(C[6a]C[6a]F){1|C<4>,1|N<2>,1|S<2>,2|F<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(CH3){3|C<3>}	125.2240	1.567	2	125.2240	2.455	2	126.9565	1.887	10	129.8723	8.525	29	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(CH3)	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(CH3){3|C<3>}	126.8605	0.060	2	126.8605	0.004	2	126.9565	1.887	10	129.8723	8.525	29	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(CH3)	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(CH3){1|N<3>,2|C<3>}	127.6490	0.000	1	128.6375	1.954	2	126.9565	1.887	10	129.8723	8.525	29	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(CH3)	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(CH3){1|N<3>,2|C<3>}	129.6260	0.000	1	128.6375	1.954	2	126.9565	1.887	10	129.8723	8.525	29	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(CC[6a]HH)	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(CC[6a]HH){1|N<2>,2|C<3>}	126.4700	0.000	1	126.6720	0.082	2	126.9565	1.887	10	129.8723	8.525	29	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(CC[6a]HH)	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(CC[6a]HH){1|N<3>,2|C<3>}	126.8740	0.000	1	126.6720	0.082	2	126.9565	1.887	10	129.8723	8.525	29	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(CH3)	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(CH3){1|C<4>,2|C<3>}	127.7610	0.000	1	127.7610	0.000	1	126.9565	1.887	10	129.8723	8.525	29	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(CN[6]HH)	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(CN[6]HH){3|C<3>}	127.0160	0.000	1	127.0160	0.000	1	126.9565	1.887	10	129.8723	8.525	29	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:4:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(CHHO)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>}	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(CHHO){1|H<1>,2|C<3>}	133.5270	0.000	1	133.5270	0.000	1	133.7612	8.747	5	129.8723	8.525	29	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:4:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(CCCH)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(CCCH){3|C<3>}	137.1190	0.000	1	137.1190	0.000	1	133.7612	8.747	5	129.8723	8.525	29	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:4:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(CC[6a]HO)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(CC[6a]HO){1|C<4>,2|C<3>}	136.3950	0.000	1	136.3950	0.000	1	133.7612	8.747	5	129.8723	8.525	29	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:4:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(CH3)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(CH3){3|C<3>}	130.8825	0.383	2	130.8825	0.146	2	133.7612	8.747	5	129.8723	8.525	29	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:4:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(CH3)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(S[5a]C[5a]){2|Cl<1>,1|C<4>,2|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl){1|Cl<1>,1|C<4>,1|N<2>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(CH3){1|C<4>,2|C<3>}	128.0590	0.000	1	128.0590	0.000	1	130.6695	1.658	6	129.8723	8.525	29	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:4:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(CCHH)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(S[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(CCHH){3|C<3>}	130.9970	0.000	1	130.9970	0.000	1	130.6695	1.658	6	129.8723	8.525	29	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:4:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(CC[6a]2H)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(CC[6a]2H){1|C<4>,2|C<3>}	131.2635	0.202	2	131.2635	0.041	2	130.6695	1.658	6	129.8723	8.525	29	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:4:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(CH3)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(S[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(CH3){3|C<3>}	131.1150	0.000	1	131.1150	0.000	1	130.6695	1.658	6	129.8723	8.525	29	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:4:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(CHHS)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(CHHS){1|C<4>,2|C<3>}	131.3190	0.000	1	131.3190	0.000	1	130.6695	1.658	6	129.8723	8.525	29	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:4:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[6a]N[5a,6a]C[6a])(C[5a]N[5a]C)(N[5a]O[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(N[5a]O[5a])(CH3)	C[5a](C[6a]N[5a,6a]C[6a])(C[5a]N[5a]C)(N[5a]O[5a]){1|H<1>,1|N<2>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,3|N<2>}	C[5a](C[5a]C[6a]N[5a])(N[5a]O[5a])(CH3){1|C<3>,1|N<3>}	131.4890	0.000	1	131.4890	0.000	1	131.4890	0.000	1	129.8723	8.525	29	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a]Br)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(Br)	C[5a](C[5a]C[5a]Br)(C[6a]C[6a]2)(N[5a]N[5a]){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Br<1>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(Br){1|B<4>,2|C<3>}	131.8230	0.000	1	131.8230	0.000	1	130.0884	2.613	5	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a]Br)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(Br)	C[5a](C[5a]C[5a]Br)(C[6a]C[6a]2)(N[5a]N[5a]){1|B<4>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Br<1>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(Br){1|B<4>,2|C<3>}	130.0040	1.617	3	130.0040	2.614	3	130.0884	2.613	5	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a]Br)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])(Br)	C[5a](C[5a]C[5a]Br)(C[6a]C[6a]2)(N[5a]O[5a]){1|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Br<1>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])(Br){4|C<3>}	128.6070	0.000	1	128.6070	0.000	1	130.0884	2.613	5	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])(Cl)	C[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(N[5a]O[5a]){2|C<4>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|Cl<1>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])(Cl){4|C<3>}	128.3360	0.000	1	128.3360	0.000	1	128.3360	0.000	1	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])2(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])2(H){1|H<1>,1|N<2>,3|C<3>}	129.1580	1.520	2	129.1580	2.311	2	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	131.5715	1.015	2	131.5715	1.030	2	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[3])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[3])(H){1|H<1>,2|C<3>,3|C<4>}	130.1140	0.000	1	130.1140	0.000	1	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	132.5410	0.000	1	132.5410	0.000	1	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])2(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])2(H){1|C<4>,4|C<3>}	129.6330	0.000	1	129.6330	0.000	1	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|B<4>,2|C<3>,3|C<4>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){1|B<4>,2|C<3>}	131.6963	0.907	3	131.6963	0.823	3	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){1|C<4>,2|C<3>}	128.4092	0.823	5	127.7075	3.496	6	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){3|C<3>}	124.1990	0.000	1	127.7075	3.496	6	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	130.2793	0.215	3	130.2798	0.031	4	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	130.2810	0.000	1	130.2798	0.031	4	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){1|C<4>,2|C<3>}	129.1830	0.000	1	129.9627	0.260	9	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,1|P<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){1|P<4>,2|C<3>}	129.9575	0.482	2	129.9627	0.260	9	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	130.6680	0.000	1	129.9627	0.260	9	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	130.0717	0.409	3	129.9627	0.260	9	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){3|C<3>}	129.8415	0.583	2	129.9627	0.260	9	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[6a]N[5a])2(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])2(H){1|C<4>,4|C<3>}	131.1209	0.552	8	130.4488	0.668	23	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[6a]N[5a])2(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])2(H){5|C<3>}	130.1950	0.220	3	130.4488	0.668	23	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[6a]N[5a])2(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])2(H){1|H<1>,4|C<3>}	129.9693	1.134	3	130.4488	0.668	23	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[6a]N[5a])2(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])2(H){1|H<1>,1|N<2>,3|C<3>}	129.5465	0.680	2	130.4488	0.668	23	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[6a]N[5a])2(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])2(H){1|H<1>,4|C<3>}	130.2529	0.710	7	130.4488	0.668	23	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|B<4>,1|C<4>,1|H<1>,1|P<3>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P){1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){1|B<4>,2|C<3>}	129.4701	0.677	9	129.4701	0.458	9	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|P<4>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P){1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	127.2450	0.000	1	127.2450	0.000	1	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]S)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]S){1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){1|C<4>,2|C<3>}	131.4410	0.489	2	131.4410	0.239	2	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])(H){5|C<3>}	129.3970	0.000	1	129.3970	0.000	1	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|B<4>,1|C<3>,1|N<2>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){1|B<4>,2|C<3>}	126.3523	0.155	3	127.5660	1.785	6	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<3>,1|N<2>,4|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	128.7797	0.142	3	127.5660	1.785	6	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5a](C[5a]C[6a]N[5a])2(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])2(H){1|H<1>,4|C<3>}	128.2140	0.000	1	128.2140	0.000	1	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]2)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]2)(H){1|C<4>,4|C<3>}	128.2890	0.000	1	128.2890	0.000	1	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){1|B<4>,2|C<3>}	128.8777	0.917	7	129.2109	0.776	56	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){1|S<4>,2|C<3>}	127.8940	0.000	1	129.2109	0.776	56	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	128.8170	0.000	1	129.2109	0.776	56	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	129.1380	1.087	3	129.2109	0.776	56	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){1|C<4>,2|C<3>}	129.3467	0.813	28	129.2109	0.776	56	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){3|C<3>}	128.2657	0.349	4	129.2109	0.776	56	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|Cu<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){1|Cu<4>,2|C<3>}	130.4930	0.000	1	129.2109	0.776	56	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|Fe<5>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){1|Fe<5>,2|C<3>}	131.2010	0.000	1	129.2109	0.776	56	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){1|C<4>,2|C<3>}	129.1845	0.479	8	129.2109	0.776	56	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){3|C<3>}	128.7170	0.000	1	129.2109	0.776	56	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	130.8840	0.000	1	129.2109	0.776	56	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|Ir<6>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(H){1|Ir<6>,1|N<3>,3|C<3>}	128.3130	0.000	1	128.3130	0.000	1	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|B<4>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){1|B<4>,2|C<3>}	128.9828	1.646	9	128.7158	0.918	60	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|B<4>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){1|B<4>,2|C<3>}	127.8596	0.561	5	128.7158	0.918	60	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){1|C<4>,2|C<3>}	128.9258	0.817	15	128.7158	0.918	60	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|Cu<4>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){1|Cu<4>,2|C<3>}	129.2005	0.207	2	128.7158	0.918	60	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,4|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	127.8393	1.185	3	128.7158	0.918	60	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,4|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	128.5703	0.337	3	128.7158	0.918	60	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,4|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	128.7841	0.724	10	128.7158	0.918	60	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){3|C<3>}	128.7268	0.722	13	128.7158	0.918	60	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)(H){1|S<4>,2|C<3>}	127.4610	0.000	1	127.2818	0.138	4	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|N<3>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)(H){1|S<4>,2|C<3>}	127.0830	0.000	1	127.2818	0.138	4	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)(H){3|C<3>}	127.2915	0.585	2	127.2818	0.138	4	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(H){1|C<4>,2|C<3>}	126.7210	0.000	1	127.6985	0.730	4	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(H){3|C<3>}	128.0243	0.677	3	127.6985	0.730	4	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])2(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])2(H){1|C<4>,4|C<3>}	129.1457	0.920	12	129.0558	1.088	66	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])2(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|Ir<8>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])2(H){1|Ir<8>,4|C<3>}	129.7208	0.803	4	129.0558	1.088	66	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])2(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|Ir<9>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])2(H){1|Ir<9>,4|C<3>}	130.0210	0.000	1	129.0558	1.088	66	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])2(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|P<3>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])2(H){1|P<3>,4|C<3>}	127.8630	0.112	2	129.0558	1.088	66	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])2(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|Zn<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<3>,2|C<3>,2|O<2>}	C[5a](C[5a]C[6a]N[5a])2(H){1|Zn<4>,4|C<3>}	133.0630	0.000	1	129.0558	1.088	66	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])2(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])2(H){5|C<3>}	129.9630	0.000	1	129.0558	1.088	66	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])2(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])2(H){5|C<3>}	128.6217	0.816	30	129.0558	1.088	66	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])2(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])2(H){1|H<1>,1|N<2>,3|C<3>}	130.0800	0.000	1	129.0558	1.088	66	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])2(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])2(H){1|H<1>,4|C<3>}	128.1010	0.000	1	129.0558	1.088	66	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])2(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5a](C[5a]C[6a]N[5a])2(H){1|H<1>,4|C<3>}	130.3410	0.000	1	129.0558	1.088	66	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])2(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<3>,2|C<3>,2|O<2>}	C[5a](C[5a]C[6a]N[5a])2(H){1|H<1>,4|C<3>}	130.1990	0.000	1	129.0558	1.088	66	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])2(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])2(H){1|H<1>,1|N<2>,3|C<3>}	129.1358	0.449	5	129.0558	1.088	66	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])2(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])2(H){1|H<1>,4|C<3>}	129.5383	0.981	6	129.0558	1.088	66	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]){1|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])(H){4|C<3>}	129.4635	0.117	2	129.4635	0.014	2	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]){1|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])(H){4|C<3>}	127.7320	0.000	1	127.7320	0.000	1	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]){2|C<4>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|O<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])(H){4|C<3>}	129.2870	0.124	2	129.2870	0.015	2	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]){2|C<4>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|O<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)(H){2|C<3>}	128.9993	1.093	3	128.9993	1.195	3	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|O<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)(H){2|C<3>}	130.2250	0.000	1	130.2250	0.000	1	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]){2|Cl<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2{1|O<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)(H){2|C<3>}	127.4750	0.000	1	127.4750	0.000	1	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])(H){4|C<3>}	129.6482	1.195	5	129.6482	1.428	5	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)(H){2|C<3>}	127.7865	0.394	2	127.7865	0.155	2	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])(H){4|C<3>}	129.6547	1.264	3	129.4123	1.301	4	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|O<2>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])(H){4|C<3>}	128.6850	0.000	1	129.4123	1.301	4	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O[5a])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O[5a])(H){1|N<2>,3|C<3>}	128.8980	0.000	1	128.8980	0.000	1	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)(H){2|C<3>}	128.8890	0.537	11	128.9288	0.350	18	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)(H){2|C<3>}	128.9914	0.709	7	128.9288	0.350	18	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C[6])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C[6])(H){1|O<2>,2|C<3>,2|C<4>}	128.7183	0.544	4	128.6164	0.273	5	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C[6])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C[6])(H){1|C<4>,3|C<3>}	128.2090	0.000	1	128.6164	0.273	5	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]N)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|O<2>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]N)(H){2|C<3>}	129.3970	0.957	2	128.9283	1.117	3	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]N)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]N)(H){2|C<3>}	127.9910	0.000	1	128.9283	1.117	3	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]S)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]S)(H){2|C<3>}	128.1170	0.000	1	128.1170	0.000	1	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]S[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]S[5a]S)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]S[5a]){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]S[5a]S)(H){2|C<3>}	125.4000	0.000	1	125.4000	0.000	1	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]S[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]S[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|S<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[6a]N[5a])(H){1|N<2>,1|O<2>,2|C<3>}	125.8040	0.407	2	125.8040	0.166	2	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]S[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]S[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|S<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]S[5a]C)(H){2|C<3>}	125.7110	0.000	1	125.7110	0.000	1	129.0828	1.516	317	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:I-1:	C[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])2(I)	C[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|I<1>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])2(I){5|C<3>}	131.4380	0.000	1	131.4380	0.000	1	131.4380	0.000	1	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:Br-1:	C[5a](C[5a]N[5a]Br)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(Br)	C[5a](C[5a]N[5a]Br)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Br<1>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(Br){4|C<3>}	132.7600	0.222	2	132.7600	0.049	2	132.2063	0.944	3	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:Br-1:	C[5a](C[5a]N[5a]Br)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(Br)	C[5a](C[5a]N[5a]Br)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Br<1>,1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(Br){2|C<3>}	131.0990	0.000	1	131.0990	0.000	1	132.2063	0.944	3	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)(H){1|C<4>,2|C<3>}	131.8110	0.000	1	131.8110	0.000	1	130.2703	1.503	225	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]2)(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]2)(H){1|N<2>,1|N<3>,3|C<3>}	128.5310	0.000	1	128.5310	0.000	1	130.2703	1.503	225	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)(H){3|C<3>}	128.6446	0.752	5	128.6438	0.452	6	130.2703	1.503	225	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)(H){1|C<4>,2|C<3>}	128.6400	0.000	1	128.6438	0.452	6	130.2703	1.503	225	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)(H){1|C<4>,2|C<3>}	128.4577	0.071	3	128.4870	0.432	7	130.2703	1.503	225	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,4|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)(H){1|H<1>,2|C<3>}	128.7550	0.000	1	128.4870	0.432	7	130.2703	1.503	225	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,4|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)(H){1|H<1>,2|C<3>}	128.7800	1.322	2	128.4870	0.432	7	130.2703	1.503	225	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)(H){3|C<3>}	127.7210	0.000	1	128.4870	0.432	7	130.2703	1.503	225	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]O)(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]O)(H){3|C<3>}	127.0750	0.000	1	127.0750	0.000	1	130.2703	1.503	225	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	130.0550	0.000	1	130.0550	0.000	1	130.2703	1.503	225	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	130.2220	0.000	1	130.2220	0.000	1	130.2703	1.503	225	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|N<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	128.5030	0.000	1	128.5030	0.000	1	130.2703	1.503	225	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|F<1>,1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	131.6305	0.989	2	131.6305	0.979	2	130.2703	1.503	225	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	129.8270	0.000	1	129.8270	0.000	1	130.2703	1.503	225	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	130.6400	0.137	2	130.6400	0.019	2	130.2703	1.503	225	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]B)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]B)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	128.6390	0.000	1	128.6390	0.000	1	130.2703	1.503	225	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	134.9140	0.000	1	134.9140	0.000	1	130.2703	1.503	225	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	132.3590	0.219	2	132.3590	0.048	2	130.2703	1.503	225	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	128.9530	0.000	1	128.9530	0.000	1	130.2703	1.503	225	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,3|C<4>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	129.7160	0.000	1	129.7160	0.000	1	130.2703	1.503	225	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	132.5240	1.056	3	132.5240	1.115	3	130.2703	1.503	225	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|F<1>,1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	131.7190	0.000	1	131.7803	0.014	3	130.2703	1.503	225	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|F<1>,1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]F)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	131.8110	0.148	2	131.7803	0.014	3	130.2703	1.503	225	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]I)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|I<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]I){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	132.7300	2.693	3	132.7300	7.250	3	130.2703	1.503	225	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	131.7775	0.264	2	130.3365	2.886	4	130.2703	1.503	225	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	128.8955	0.532	2	130.3365	2.886	4	130.2703	1.503	225	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	128.9905	0.303	2	128.9905	0.092	2	130.2703	1.503	225	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]N[5a])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]N[5a])(H){4|C<3>}	131.3480	0.000	1	131.3480	0.000	1	130.2703	1.503	225	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|I<1>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	131.4690	0.901	2	131.8417	3.462	6	130.2703	1.503	225	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	132.0280	2.315	4	131.8417	3.462	6	130.2703	1.503	225	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|P<3>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	132.6690	0.000	1	132.6690	0.000	1	130.2703	1.503	225	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	129.7920	0.182	2	129.7920	0.033	2	130.2703	1.503	225	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]N[5a])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]N[5a])(H){1|N<2>,1|N<3>,2|C<3>}	128.9280	0.000	1	130.7873	4.375	3	130.2703	1.503	225	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]N[5a])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]N[5a])(H){2|C<3>,2|N<2>}	133.0520	0.000	1	130.7873	4.375	3	130.2703	1.503	225	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]N[5a])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]N[5a])(H){4|C<3>}	130.3820	0.000	1	130.7873	4.375	3	130.2703	1.503	225	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Br<1>,1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	130.0188	0.418	4	130.1563	0.560	73	130.2703	1.503	225	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	129.8680	0.000	1	130.1563	0.560	73	130.2703	1.503	225	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|I<1>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	130.0167	0.931	3	130.1563	0.560	73	130.2703	1.503	225	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){1|N<2>,3|C<3>}	129.9400	0.000	1	130.1563	0.560	73	130.2703	1.503	225	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	130.1647	0.778	60	130.1563	0.560	73	130.2703	1.503	225	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,2|H<1>,2|N<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	130.3670	0.000	1	130.1563	0.560	73	130.2703	1.503	225	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	130.4087	0.971	3	130.1563	0.560	73	130.2703	1.503	225	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]2)(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]2)(H){1|N<2>,3|C<3>}	130.4510	0.000	1	130.4510	0.000	1	130.2703	1.503	225	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	130.3266	0.764	59	130.2397	0.849	79	130.2703	1.503	225	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,2|H<1>,2|N<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	131.1720	0.553	2	130.2397	0.849	79	130.2703	1.503	225	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	127.3090	0.000	1	130.2397	0.849	79	130.2703	1.503	225	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	130.3575	0.974	10	130.2397	0.849	79	130.2703	1.503	225	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	129.9343	0.300	6	130.2397	0.849	79	130.2703	1.503	225	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	126.8370	0.000	1	130.2397	0.849	79	130.2703	1.503	225	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	129.2070	0.000	1	129.9784	0.815	7	130.2703	1.503	225	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	130.8530	0.000	1	129.9784	0.815	7	130.2703	1.503	225	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H){1|C<4>,4|C<3>}	130.9440	0.000	1	129.9784	0.815	7	130.2703	1.503	225	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H){1|H<1>,2|C<3>,2|C<4>}	129.6650	0.000	1	129.9784	0.815	7	130.2703	1.503	225	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H){2|C<4>,3|C<3>}	130.2070	0.000	1	129.9784	0.815	7	130.2703	1.503	225	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H){5|C<3>}	130.4780	0.000	1	129.9784	0.815	7	130.2703	1.503	225	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|H<1>,2|N<2>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H){1|Mn<8>,2|C<3>,2|C<4>}	128.4950	0.000	1	129.9784	0.815	7	130.2703	1.503	225	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6])(H){1|C<4>,1|H<1>,3|C<3>}	130.4600	0.455	2	130.5639	0.495	7	130.2703	1.503	225	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6])(H){1|H<1>,2|C<3>,2|C<4>}	130.6303	1.127	3	130.5639	0.495	7	130.2703	1.503	225	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6])(H){4|C<3>}	130.5680	0.430	2	130.5639	0.495	7	130.2703	1.503	225	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:I-1:	C[5a](C[5a]N[5a]I)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a,6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(I)	C[5a](C[5a]N[5a]I)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a,6a]H)(C[6a]C[6a]O){1|H<1>,1|I<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(I){4|C<3>}	132.1932	1.172	5	132.1932	1.373	5	131.8455	1.676	17	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:I-1:	C[5a](C[5a]N[5a]I)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(I)	C[5a](C[5a]N[5a]I)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|I<1>,1|N<2>,1|N<3>,2|C<4>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(I){4|C<3>}	130.4717	1.075	4	131.0846	1.150	8	131.8455	1.676	17	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:I-1:	C[5a](C[5a]N[5a]I)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(I)	C[5a](C[5a]N[5a]I)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|I<1>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(I){4|C<3>}	131.3480	0.241	3	131.0846	1.150	8	131.8455	1.676	17	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:I-1:	C[5a](C[5a]N[5a]I)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(I)	C[5a](C[5a]N[5a]I)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|H<1>,1|I<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(I){4|C<3>}	132.7460	0.000	1	131.0846	1.150	8	131.8455	1.676	17	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:I-1:	C[5a](C[5a]N[5a]I)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(I)	C[5a](C[5a]N[5a]I)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|I<1>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(I){2|C<3>}	132.9325	1.050	4	132.9325	1.103	4	131.8455	1.676	17	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a]Br)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(Br)	C[5a](C[5a]C[5a]Br)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|Br<1>,1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(Br){3|C<3>}	137.0680	0.000	1	137.0680	0.000	1	137.1993	0.475	8	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a]Br)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]F)(Br)	C[5a](C[5a]C[5a]Br)(C[6a]C[6a]2)(O[5a]C[5a]){1|F<1>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|Br<1>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]F)(Br){3|C<3>}	136.5230	0.000	1	136.5230	0.000	1	137.1993	0.475	8	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a]Br)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(Br)	C[5a](C[5a]C[5a]Br)(C[6a]C[6a]2)(O[5a]C[5a]){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|Br<1>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(Br){3|C<3>}	137.6560	0.573	3	137.6560	0.329	3	137.1993	0.475	8	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a]Br)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]I)(Br)	C[5a](C[5a]C[5a]Br)(C[6a]C[6a]2)(O[5a]C[5a]){1|I<1>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|Br<1>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]I)(Br){3|C<3>}	137.5050	0.000	2	137.5050	0.000	2	137.1993	0.475	8	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a]Br)(C[6a]C[6a]2)(O[5a]N[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])(Br)	C[5a](C[5a]C[5a]Br)(C[6a]C[6a]2)(O[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|Br<1>,1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])(Br){4|C<3>}	136.0250	0.000	1	136.0250	0.000	1	137.1993	0.475	8	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(Cl)	C[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|Cl<1>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(Cl){3|C<3>}	136.5820	0.000	1	136.5820	0.000	1	134.9670	5.216	2	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(O[5a]N[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]C)(C[6a]C[6a]N)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])(Cl)	C[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(O[5a]N[5a]){1|C<4>,1|N<3>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]C)(C[6a]C[6a]N){1|Cl<1>,1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])(Cl){4|C<3>}	133.3520	0.000	1	133.3520	0.000	1	134.9670	5.216	2	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:F-1:	C[5a](C[5a]C[5a]F)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(F)	C[5a](C[5a]C[5a]F)(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|F<1>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(F){5|C<3>}	134.3170	0.000	1	134.3170	0.000	1	135.0575	0.418	4	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:F-1:	C[5a](C[5a]C[5a]F)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]Br)(F)	C[5a](C[5a]C[5a]F)(C[6a]C[6a]2)(O[5a]C[5a]){1|Br<1>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|F<1>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]Br)(F){3|C<3>}	135.4750	0.000	1	135.4750	0.000	1	135.0575	0.418	4	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:F-1:	C[5a](C[5a]C[5a]F)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(F)	C[5a](C[5a]C[5a]F)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|F<1>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(F){3|C<3>}	134.7290	0.000	1	134.7290	0.000	1	135.0575	0.418	4	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:F-1:	C[5a](C[5a]C[5a]F)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(F)	C[5a](C[5a]C[5a]F)(C[6a]C[6a]2)(O[5a]C[5a]){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|F<1>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(F){3|C<3>}	135.7090	0.000	1	135.7090	0.000	1	135.0575	0.418	4	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(H){3|C<3>}	133.0990	0.000	1	133.0990	0.000	1	133.8835	2.574	117	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){2|C<3>,4|H<1>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	131.8890	3.537	2	132.6320	7.911	3	133.8835	2.574	117	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){2|C<3>,4|H<1>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	134.1180	0.000	1	132.6320	7.911	3	133.8835	2.574	117	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[5a]C[6a])2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[5a]C[6a])2{1|H<1>,2|O<2>,7|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H){1|C<4>,2|C<3>}	132.9040	0.499	3	133.1948	0.499	6	133.8835	2.574	117	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[5a]C[6a])2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[5a]C[6a])2{1|H<1>,2|O<2>,7|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	133.4857	0.863	3	133.1948	0.499	6	133.8835	2.574	117	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){2|C<3>,4|H<1>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6,6a]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	133.1010	0.000	1	132.6255	0.452	2	133.8835	2.574	117	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){2|C<3>,4|H<1>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6,6a]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	132.1500	0.000	1	132.6255	0.452	2	133.8835	2.574	117	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a,6a]O)(C[6a]O[6a]O)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a,6a]O)(C[6a]O[6a]O){1|H<1>,4|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H){1|C<4>,2|C<3>}	136.3720	0.000	1	136.3720	0.000	1	133.8835	2.574	117	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){1|Br<1>,1|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(H){5|C<3>}	135.8850	0.000	1	135.8850	0.000	1	133.8835	2.574	117	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<2>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	130.1710	0.000	1	133.9690	16.100	5	133.8835	2.574	117	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	131.9810	0.000	1	133.9690	16.100	5	133.8835	2.574	117	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H){3|C<3>}	131.0780	0.000	1	133.9690	16.100	5	133.8835	2.574	117	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H){3|C<3>}	138.3075	0.136	2	133.9690	16.100	5	133.8835	2.574	117	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]C)(C[6a]C[6a]O)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]C)(C[6a]C[6a]O){3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H){1|C<4>,2|C<3>}	136.7780	0.000	1	136.7780	0.000	1	133.8835	2.574	117	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H){1|C<4>,2|C<3>}	136.6220	0.000	1	136.6220	0.000	1	133.8835	2.574	117	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]I)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){1|H<1>,1|I<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]I){3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(H){5|C<3>}	137.2400	0.000	1	137.2400	0.000	1	133.8835	2.574	117	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H){3|C<3>}	136.0560	0.000	1	136.0560	0.000	1	133.8835	2.574	117	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H){3|C<3>}	136.7040	0.024	2	136.7040	0.001	2	133.8835	2.574	117	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<3>,1|N<2>,4|H<1>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,4|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	131.5080	3.876	2	131.5080	15.026	2	133.8835	2.574	117	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(H){1|C<4>,1|N<2>,3|C<3>}	134.7030	0.000	1	133.6897	1.385	6	133.8835	2.574	117	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(H){1|N<2>,4|C<3>}	134.5920	0.000	1	133.6897	1.385	6	133.8835	2.574	117	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(H){5|C<3>}	133.2107	1.178	4	133.6897	1.385	6	133.8835	2.574	117	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]Br)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){1|Br<1>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]Br)(H){3|C<3>}	134.1907	0.415	3	134.1907	0.172	3	133.8835	2.574	117	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(H){1|C<4>,2|C<3>}	134.4435	1.193	2	133.9603	0.862	8	133.8835	2.574	117	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(H){3|C<3>}	132.9480	0.223	2	133.9603	0.862	8	133.8835	2.574	117	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(H){1|N<3>,2|C<3>}	134.7650	0.000	1	133.9603	0.862	8	133.8835	2.574	117	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(H){1|C<4>,2|C<3>}	133.3930	0.000	1	133.9603	0.862	8	133.8835	2.574	117	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(H){3|C<3>}	134.3705	0.858	2	133.9603	0.862	8	133.8835	2.574	117	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C[5])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C[5])(H){1|N<2>,4|C<3>}	134.0550	0.000	1	134.0550	0.000	1	133.8835	2.574	117	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]F)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){1|F<1>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]F)(H){3|C<3>}	133.1630	0.000	1	133.1630	0.000	1	133.8835	2.574	117	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H){1|C<4>,2|C<3>}	134.5028	1.312	5	133.6620	1.167	25	133.8835	2.574	117	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){2|C<3>,4|H<1>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	131.4910	0.000	1	133.6620	1.167	25	133.8835	2.574	117	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){2|C<3>,4|H<1>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	134.1005	0.101	2	133.6620	1.167	25	133.8835	2.574	117	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){2|C<3>,4|H<1>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<2>,4|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	133.6810	0.000	1	133.6620	1.167	25	133.8835	2.574	117	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){2|C<3>,4|H<1>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|H<1>,5|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	132.7960	0.000	1	133.6620	1.167	25	133.8835	2.574	117	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){2|C<3>,4|H<1>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	132.5610	0.000	1	133.6620	1.167	25	133.8835	2.574	117	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){2|C<3>,4|H<1>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	133.2465	0.777	2	133.6620	1.167	25	133.8835	2.574	117	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H){3|C<3>}	133.6511	0.933	12	133.6620	1.167	25	133.8835	2.574	117	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]N)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]N)(H){3|C<3>}	133.3520	0.000	1	133.3520	0.000	1	133.8835	2.574	117	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]S)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]S)(H){3|C<3>}	134.3315	0.967	2	134.3315	0.934	2	133.8835	2.574	117	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]O)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){2|C<3>,2|H<1>,2|O<2>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]O)2{1|H<1>,5|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	133.5865	0.973	6	133.5865	0.947	6	133.8835	2.574	117	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]N[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){2|N<2>,4|H<1>}	C[6a](C[5a]C[5a]O[5a])(C[6a]N[6a]H)2{1|H<1>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	130.9460	3.540	2	130.9460	12.530	2	133.8835	2.574	117	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]N[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C)(H){2|C<3>}	133.4590	0.000	1	133.4590	0.000	1	133.8835	2.574	117	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]N[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]C)(C[6a]N[6a]C)	C[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]N[5a]){1|C<3>,1|N<2>,3|C<4>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]C)(C[6a]N[6a]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C)(H){2|C<3>}	133.9560	0.000	1	133.9560	0.000	1	133.8835	2.574	117	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]N[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]N[5a]){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])(H){4|C<3>}	133.4775	0.134	2	133.4775	0.018	2	133.8835	2.574	117	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]N[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]N[5a]){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])(H){4|C<3>}	136.6350	0.635	2	136.6350	0.403	2	133.8835	2.574	117	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]N[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]N[5a]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C)(H){2|C<3>}	136.5390	0.000	1	136.5390	0.000	1	133.8835	2.574	117	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]N[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]O[5a])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]O[5a])(H){1|N<2>,1|O<2>,2|C<3>}	135.3950	0.000	1	134.9433	0.155	3	133.8835	2.574	117	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]N[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]O[5a])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]O[5a])(H){1|N<2>,3|C<3>}	134.7175	0.057	2	134.9433	0.155	3	133.8835	2.574	117	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]N[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])(H){4|C<3>}	133.8380	0.000	1	133.6881	0.369	13	133.8835	2.574	117	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]N[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])(H){4|C<3>}	132.6330	0.000	1	133.6881	0.369	13	133.8835	2.574	117	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]N[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])(H){4|C<3>}	133.7704	0.567	11	133.6881	0.369	13	133.8835	2.574	117	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]N[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]2)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]N[5a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]2)(H){1|N<2>,3|C<3>}	132.5490	0.000	1	132.5490	0.000	1	133.8835	2.574	117	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]N[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C)(H){2|C<3>}	132.5440	0.000	1	134.2584	1.197	5	133.8835	2.574	117	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]N[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C)(H){2|C<3>}	134.6870	0.609	4	134.2584	1.197	5	133.8835	2.574	117	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]N[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]N[5a]){2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]H)(H){2|C<3>}	134.1600	0.000	1	134.1600	0.000	1	133.8835	2.574	117	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]N[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]N)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]N[5a]){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]N)(H){2|C<3>}	133.7505	0.050	2	133.7505	0.003	2	133.8835	2.574	117	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]N[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]O)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]N[5a]){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]O)(H){3|C<3>}	133.3780	0.000	1	133.3780	0.000	1	133.8835	2.574	117	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]N[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]N[5a]){1|C<4>,1|N<2>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,5|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C)(H){2|C<3>}	133.6980	0.000	1	133.6980	0.000	1	133.8835	2.574	117	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]N[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]N[6a])(C[6a]N[6a]H)	C[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]N[5a]){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]N[6a])(C[6a]N[6a]H){1|H<1>,1|N<2>,4|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C)(H){2|C<3>}	133.6100	0.000	1	133.6100	0.000	1	133.8835	2.574	117	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:I-1:	C[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]Br)(I)	C[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(O[5a]C[5a]){1|Br<1>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|I<1>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]Br)(I){3|C<3>}	136.8600	0.000	2	136.8600	0.000	2	136.4817	0.429	3	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:I-1:	C[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(O[5a]N[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]Cl)(I)	C[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(O[5a]N[5a]){1|Cl<1>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|I<1>,1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]Cl)(I){2|C<3>}	135.7250	0.000	1	135.7250	0.000	1	136.4817	0.429	3	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:Br-1:	C[5a](C[5a]N[5a]Br)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]C[6a])(Br)	C[5a](C[5a]N[5a]Br)(C[6a]C[6a]2)(O[5a]C[5a]){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|Br<1>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]C[6a])(Br){1|O<1>,4|C<3>}	136.6995	0.469	2	136.6995	0.220	2	136.6995	0.220	2	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a]Br)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(Br)	C[5a](C[5a]C[5a]Br)(C[6a]C[6a]2)(S[5a]C[5a]){1|Br<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(Br){1|Br<1>,2|C<3>}	129.2150	0.000	1	129.2150	0.000	1	129.2150	0.000	1	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){3|C<3>}	127.9734	0.945	10	128.2725	0.827	15	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){3|C<3>}	129.4840	0.000	1	128.2725	0.827	15	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[5,6a]H)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){3|C<3>}	128.7175	0.362	4	128.2725	0.827	15	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(H){2|C<4>,3|C<3>}	128.5030	0.515	2	128.5030	0.265	2	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|I<1>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|I<1>,2|C<3>}	128.9835	0.865	2	128.2526	0.925	17	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){2|C<3>,4|H<1>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	127.1773	0.404	4	128.2526	0.925	17	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|B<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){3|C<3>}	129.4163	0.178	3	128.2526	0.925	17	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){3|C<3>}	127.5790	0.000	1	128.2526	0.925	17	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){3|C<3>}	128.2559	0.740	7	128.2526	0.925	17	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[5a]C[6a])(C[6a]C[6a,6a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[5a]C[6a])(C[6a]C[6a,6a]H){1|S<2>,2|H<1>,5|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	127.8006	0.817	5	127.8006	0.668	5	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6,6a]H)(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){3|C<3>}	129.4330	0.000	1	128.4580	0.371	5	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6,6a]H)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){3|C<3>}	128.2142	0.315	4	128.4580	0.371	5	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6,6a]H)2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6,6a]H)2{1|H<1>,2|C<4>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){3|C<3>}	127.6991	2.223	8	127.6991	4.943	8	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){2|C<3>,4|H<1>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	127.4625	0.230	2	127.8775	0.251	4	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){2|C<3>,4|H<1>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	128.2150	0.000	1	127.8775	0.251	4	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){3|C<3>}	128.3700	0.000	1	127.8775	0.251	4	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a,6a]H)(C[6a]N[6a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a,6a]H)(C[6a]N[6a]H){1|H<1>,4|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|N<3>,2|C<3>}	128.9218	0.468	6	128.7918	0.241	9	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a,6a]H)(C[6a]N[6a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a,6a]H)(C[6a]N[6a]H){1|H<1>,4|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){3|C<3>}	128.5317	0.515	3	128.7918	0.241	9	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a,6a]H)2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a,6a]H)2{1|H<1>,5|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){3|C<3>}	128.6063	0.320	3	128.6063	0.102	3	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,7|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){3|C<3>}	130.7725	1.020	2	130.6467	0.368	4	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	130.5210	0.020	2	130.6467	0.368	4	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|C<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){3|C<3>}	128.4985	0.838	4	128.6310	0.617	10	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){3|C<3>}	127.3970	0.000	1	128.6310	0.617	10	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|C<4>,2|C<3>}	128.7593	0.500	3	128.6310	0.617	10	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){3|C<3>}	129.3205	0.596	2	128.6310	0.617	10	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]C)2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|Fe<8>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]C)2{1|H<1>,2|C<4>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|Fe<8>,2|C<3>}	128.6080	0.000	1	128.6080	0.000	1	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]F)(C[6a]C[6a]O)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|F<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]F)(C[6a]C[6a]O){1|F<1>,1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	127.4810	0.000	1	127.4810	0.000	1	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]F)2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|C<4>,2|F<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]F)2{1|H<1>,2|F<1>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(H){2|C<4>,3|C<3>}	127.7857	0.524	4	127.7857	0.275	4	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]F)2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>,2|F<1>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]F)2{1|H<1>,2|F<1>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|C<4>,2|C<3>}	128.3210	0.000	1	127.8588	0.380	17	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]F)2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|H<1>,2|F<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]F)2{1|H<1>,2|F<1>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){3|C<3>}	127.8157	0.644	15	127.8588	0.380	17	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]F)2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){2|C<3>,2|F<1>,2|H<1>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]F)2{1|H<1>,2|F<1>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	128.0430	0.000	1	127.8588	0.380	17	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,4|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	125.9350	0.000	1	126.4920	0.620	2	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){3|C<3>}	127.0490	0.000	1	126.4920	0.620	2	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]2)(H){5|C<3>}	127.8560	0.494	4	127.8560	0.244	4	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(H){1|H<1>,2|C<3>}	129.0485	0.631	2	129.0485	0.399	2	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){3|C<3>}	128.0927	1.082	3	128.0927	1.170	3	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a])(H){1|C<4>,4|C<3>}	128.3781	0.877	7	128.3609	0.714	10	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a])(H){5|C<3>}	128.3207	0.949	3	128.3609	0.714	10	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]2)(H){5|C<3>}	128.1125	1.331	2	128.6943	1.063	4	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]2)(H){1|H<1>,4|C<3>}	129.2760	0.252	2	128.6943	1.063	4	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]B)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|B<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]B)(H){3|C<3>}	129.3315	0.482	2	129.3315	0.232	2	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]Br)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{1|H<1>,2|C<4>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]Br)(H){1|C<4>,2|C<3>}	128.8230	0.000	1	128.8453	0.018	3	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]Br)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]Br)(H){1|C<4>,2|C<3>}	128.9900	0.000	1	128.8453	0.018	3	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]Br)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|Br<1>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<2>,4|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]Br)(H){1|H<1>,2|C<3>}	128.7230	0.000	1	128.8453	0.018	3	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(H){3|C<3>}	129.2800	0.000	1	128.6368	0.385	9	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(H){1|C<4>,2|C<3>}	128.6567	0.490	3	128.6368	0.385	9	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(H){3|C<3>}	127.9990	0.000	1	128.6368	0.385	9	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(H){1|N<2>,2|C<3>}	128.1910	0.000	1	128.6368	0.385	9	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(H){1|N<3>,2|C<3>}	129.7730	0.000	1	128.6368	0.385	9	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(H){1|S<2>,2|C<3>}	128.2690	0.000	1	128.6368	0.385	9	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(H){3|C<3>}	128.2490	0.000	1	128.6368	0.385	9	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|C<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(H){1|C<2>,1|C<4>,3|C<3>}	128.3070	0.604	3	128.5896	0.860	40	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(H){2|C<4>,3|C<3>}	129.6150	0.000	1	128.5896	0.860	40	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{1|F<1>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(H){2|C<4>,3|C<3>}	128.6420	0.534	4	128.5896	0.860	40	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{1|H<1>,2|F<1>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(H){2|C<4>,3|C<3>}	128.3750	0.000	1	128.5896	0.860	40	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(H){1|C<4>,1|S<4>,3|C<3>}	128.8860	0.000	1	128.5896	0.860	40	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(H){1|C<4>,4|C<3>}	128.9360	0.000	1	128.5896	0.860	40	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(H){2|C<4>,3|C<3>}	128.5245	1.209	4	128.5896	0.860	40	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(H){1|C<4>,1|S<4>,3|C<3>}	127.5880	0.000	1	128.5896	0.860	40	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(H){1|C<4>,4|C<3>}	129.6060	0.000	1	128.5896	0.860	40	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(H){1|Fe<10>,2|C<4>,3|C<3>}	128.9440	1.250	2	128.5896	0.860	40	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(H){2|C<4>,3|C<3>}	128.5844	1.117	14	128.5896	0.860	40	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(H){1|C<4>,1|O<2>,3|C<3>}	128.5272	0.188	4	128.5896	0.860	40	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|Si<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(H){1|Si<4>,1|C<4>,3|C<3>}	128.9635	1.626	2	128.5896	0.860	40	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(H){1|C<4>,4|C<3>}	126.8860	0.000	1	128.5896	0.860	40	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|B<3>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{1|H<1>,5|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|B<3>,2|C<3>}	129.2767	0.452	3	128.7195	1.034	96	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|C<4>,2|C<3>}	128.5555	0.470	2	128.7195	1.034	96	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|C<4>,2|C<3>}	128.6287	0.903	3	128.7195	1.034	96	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|I<1>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{1|H<1>,5|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|I<1>,2|C<3>}	131.1857	2.567	3	128.7195	1.034	96	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<2>,4|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|N<3>,2|C<3>}	128.3359	0.521	7	128.7195	1.034	96	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|N<3>,2|C<3>}	129.5445	0.658	2	128.7195	1.034	96	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|P<4>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|P<4>,2|C<3>}	128.0560	0.000	1	128.7195	1.034	96	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){2|C<3>,4|H<1>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	128.4080	0.000	1	128.7195	1.034	96	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){3|C<3>}	128.2540	0.000	1	128.7195	1.034	96	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<2>,4|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){3|C<3>}	128.3340	0.000	1	128.7195	1.034	96	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{1|H<1>,5|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){3|C<3>}	128.3450	1.701	3	128.7195	1.034	96	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){3|C<3>}	128.8747	0.272	3	128.7195	1.034	96	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){3|C<3>}	128.7900	0.000	1	128.7195	1.034	96	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){3|C<3>}	129.0620	1.141	3	128.7195	1.034	96	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){3|C<3>}	128.6220	0.889	62	128.7195	1.034	96	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]Ir)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|Ir<6>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]Ir)(H){3|C<3>}	127.9895	0.968	2	127.9895	0.937	2	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]N)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]N)(H){1|C<4>,2|C<3>}	128.0860	0.000	1	128.0860	0.000	1	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]P)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|P<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]P)(H){3|C<3>}	128.6870	0.717	2	128.6870	0.514	2	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]S)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){2|C<3>,2|H<1>,2|S<2>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]S)(H){1|S<2>,2|C<3>}	127.1090	3.943	2	127.1090	15.546	2	128.4839	1.086	287	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[6a]C[6,6a]C[5a])(C[5a]C[5a]S[5a])(C[6a]N[6a]O)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6,6a]C[5a])(C[5a]C[5a]S[5a])(C[6a]N[6a]O){1|H<1>,1|S<2>,2|C<4>,4|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	127.8540	0.000	1	127.8540	0.000	1	127.8540	0.000	1	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[6a]C[5,6a]C[6a])(C[5a]N[5a]H)(N[5a]C[5a])	C[6a](C[5,6a]C[5,6a]C[5])(C[5a]C[5a]N[5a])(C[6a]C[6a]N)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]S)(H)	C[5a](C[6a]C[5,6a]C[6a])(C[5a]N[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5a]C[5a]N[5a])(C[6a]C[6a]N){2|N<3>,3|C<3>,4|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]S)(H){1|H<1>,2|C<3>}	127.6190	0.000	1	127.6190	0.000	1	127.6190	0.000	1	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(N[5a]N[5a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|S<2>,2|H<1>,2|N<2>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	130.6210	0.000	1	130.6210	0.000	1	129.9235	0.973	2	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|S<2>,2|H<1>,2|N<2>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	129.2260	0.000	1	129.2260	0.000	1	129.9235	0.973	2	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6,6a]C[6a])(C[5a]C[5a]H)(N[5a]O[5a])	C[6a](C[6,6a]C[6,6a]C[6])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])(H)	C[5a](C[6a]C[6,6a]C[6a])(C[5a]C[5a]H)(N[5a]O[5a]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|N<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])(H){4|C<3>}	129.6170	0.613	3	129.6170	0.376	3	129.6170	0.376	3	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]N[5a])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]N[5a]){2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){3|C<3>}	130.1280	0.000	1	130.1280	0.000	1	130.1280	0.000	1	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]N[5a]H)(N[5a]N[5a])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]N[5a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H){1|Fe<10>,2|C<3>,2|C<4>}	127.8043	0.512	3	127.8043	0.263	3	128.1795	3.708	6	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]N[5a]H)(N[5a]N[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a,6a]H)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]N[5a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a,6a]H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	131.8540	0.000	1	129.7035	9.249	2	128.1795	3.708	6	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]N[5a]H)(N[5a]N[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a,6a]H)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]N[5a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a,6a]H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H){1|Fe<10>,2|C<3>,2|C<4>}	127.5530	0.000	1	129.7035	9.249	2	128.1795	3.708	6	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]N[5a]H)(N[5a]N[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]N[5a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	126.2570	0.000	1	126.2570	0.000	1	128.1795	3.708	6	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]H)(N[5a]N[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	C[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]C[5a]N[5a]){1|N<3>,3|H<1>,6|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){1|C<4>,2|C<3>}	127.4080	0.956	2	127.8994	0.537	5	127.8730	0.434	6	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]H)(N[5a]N[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	C[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]C[5a]N[5a]){1|N<3>,3|H<1>,6|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){3|C<3>}	128.2270	0.463	3	127.8994	0.537	5	127.8730	0.434	6	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]H)(N[5a]O[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)(H)	C[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]H)(N[5a]O[5a]){1|C<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]C[5a]N[5a]){1|O<2>,3|H<1>,6|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)(H){2|C<3>}	127.7410	0.000	1	127.7410	0.000	1	127.8730	0.434	6	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]2)(C[5a]N[5a]H)(N[5a]N[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	C[5a](C[6a]C[6a,6a]2)(C[5a]N[5a]H)(N[5a]N[5a]){1|C<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]C[5a]N[5a]){1|N<2>,1|N<3>,3|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	130.5860	0.000	1	130.5860	0.000	1	129.3350	1.175	3	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]2)(C[5a]N[5a]H)(N[5a]N[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6])(H)	C[5a](C[6a]C[6a,6a]2)(C[5a]N[5a]H)(N[5a]N[5a]){5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]C[5a]N[5a]){1|N<2>,1|N<3>,3|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6])(H){4|C<3>}	128.7095	0.043	2	128.7095	0.002	2	129.3350	1.175	3	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:O[5a]-2:	C[5a,6a]-3:C[5a]-3:N[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]O[5a])(N[6a]N[6a]H)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a]){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]O[5a])(N[6a]N[6a]H){2|H<1>,5|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>}	134.0055	0.692	2	134.0055	0.479	2	134.0055	0.479	2	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:O[5a]-2:	C[6,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6,6a]C[6a])(C[5a]C[5a,6a]H)(O[5a]C[5a,6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[5a]C[5a]O[5a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(H)	C[5a](C[6a]C[6,6a]C[6a])(C[5a]C[5a,6a]H)(O[5a]C[5a,6a]){1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[5a]C[5a]O[5a])(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(H){1|H<1>,4|C<3>}	135.0110	0.000	1	135.0110	0.000	1	135.0110	0.000	1	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:O[5a]-2:	C[6a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]H)(O[5a]C[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]C[5a]O[5a])	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]C[5a]O[5a]){2|H<1>,8|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H){1|C<4>,2|C<3>}	136.4502	0.366	4	134.0623	18.639	10	134.0623	18.639	10	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:O[5a]-2:	C[6a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]H)(O[5a]C[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]C[5a]O[5a])	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]H)(O[5a]C[5a]){2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]C[5a]O[5a]){2|H<1>,8|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	134.3972	1.507	4	134.0623	18.639	10	134.0623	18.639	10	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:O[5a]-2:	C[6a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]H)(O[5a]C[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]C[5a]O[5a])	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]H)(O[5a]C[5a]){2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]C[5a]O[5a]){3|H<1>,7|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	128.6165	8.830	2	134.0623	18.639	10	134.0623	18.639	10	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[5,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5,6a]C[5,6a]N[5])(C[5a]C[5a]S[5a])(C[6a]C[6a,6a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(H)	C[5a](C[6a]C[5,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[5a]C[5a]S[5a])(C[6a]C[6a,6a]H){1|Se<2>,1|H<1>,1|N<2>,4|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(H){1|H<1>,2|C<3>}	129.9620	0.000	1	129.9620	0.000	1	127.2887	6.156	3	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[5,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5,6a]C[5,6a]N[5])(C[5a]C[5a]S[5a])(C[6a]C[6a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[5,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[5a]C[5a]S[5a])(C[6a]C[6a]H){1|Se<2>,1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){3|C<3>}	125.9520	1.261	2	125.9520	1.591	2	127.2887	6.156	3	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a,6a]-3:C[5,6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[5a,6a]C[5,6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(C[5a]C[5a]S[5a])	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[5a,6a]C[5,6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(C[5a]C[5a]S[5a]){1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|S<2>,4|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	127.6380	1.429	4	127.6380	2.042	4	127.6380	2.042	4	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[5a,6a]2)(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])2(C[5a]C[5a]S[5a])	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[5a,6a]2)(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,2|N<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])2(C[5a]C[5a]S[5a]){1|H<1>,2|N<2>,2|S<2>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){3|C<3>}	128.5338	0.696	5	128.0317	1.100	7	128.0317	1.100	7	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[5a,6a]2)(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])2(C[5a]C[5a]S[5a])	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[5a,6a]2)(C[5a]C[5a]H)(S[5a]C[5a]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])2(C[5a]C[5a]S[5a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>,3|N<2>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	126.7765	0.503	2	128.0317	1.100	7	128.0317	1.100	7	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[5a,6a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[5a,6a]H){1|C<4>,1|H<1>,6|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	129.6320	0.000	1	129.6320	0.000	1	128.8421	1.943	26	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]S[5a])(C[6a]C[6a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]S[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,5|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	128.1520	0.000	1	128.1520	0.000	1	128.8421	1.943	26	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]C)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]C){1|C<4>,1|H<1>,2|C<3>,2|N<2>,2|N<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	126.5580	0.000	1	126.5580	0.000	1	128.8421	1.943	26	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|C<4>,2|C<3>}	129.0270	0.000	1	129.0270	0.000	1	128.8421	1.943	26	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a,6a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(H)	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a,6a]H){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(H){1|H<1>,2|C<3>}	129.1690	0.000	1	129.6540	0.238	4	128.8421	1.943	26	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a,6a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(H)	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a,6a]H){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(H){1|H<1>,2|C<3>}	129.8157	0.447	3	129.6540	0.238	4	128.8421	1.943	26	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]C)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<2>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]C){1|C<2>,1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|C<4>,2|C<3>}	127.6300	0.332	2	127.7952	0.368	4	128.8421	1.943	26	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]C)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Si<4>,1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]C){1|C<2>,1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|Si<4>,2|C<3>}	127.9605	0.940	2	127.7952	0.368	4	128.8421	1.943	26	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(H)	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(H){1|H<1>,2|C<3>}	130.1805	0.556	2	130.1805	0.310	2	128.8421	1.943	26	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|C<4>,2|C<3>}	126.3660	0.000	1	129.0256	2.604	11	128.8421	1.943	26	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|N<3>,2|C<3>}	130.4260	0.000	1	129.0256	2.604	11	128.8421	1.943	26	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|N<3>,2|C<3>}	130.8570	0.289	3	129.0256	2.604	11	128.8421	1.943	26	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){3|C<3>}	127.8140	1.573	2	129.0256	2.604	11	128.8421	1.943	26	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){3|C<3>}	128.5727	0.425	4	129.0256	2.604	11	128.8421	1.943	26	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){3|C<3>}	127.0850	0.000	1	127.0850	0.000	1	128.8421	1.943	26	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a,6a]-3:C[6,6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[5a,6a]C[6,6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(C[5a]C[5a]S[5a])	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[5a,6a]C[6,6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(C[5a]C[5a]S[5a]){1|C<4>,2|N<2>,2|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	128.7940	0.000	2	128.7940	0.000	2	128.7940	0.000	2	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[5a]C[5a]S[5a])	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(S[5a]C[5a]){2|C<3>,2|H<1>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[5a]C[5a]S[5a]){1|H<1>,1|S<2>,2|N<2>,4|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	127.7067	0.490	3	127.7067	0.240	3	127.7067	0.240	3	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6,6,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6,6,6a]C[5a,6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6,6,6a]C[5a,6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a]){1|C<4>,1|N<2>,1|S<2>,2|H<1>,5|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	128.6070	0.000	1	128.6070	0.000	1	128.6070	0.000	1	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[6,6a]C[6,6a]C[6])(C[5a]C[5a]S[5a])(C[6a]C[5a]C[6a])	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[5a]C[5a]S[5a])(C[6a]C[5a]C[6a]){1|N<3>,1|O<1>,1|S<2>,2|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	125.8610	0.000	1	125.8610	0.000	1	126.6313	8.149	4	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[6,6a]C[6,6a]C[6])(C[5a]C[5a]S[5a])(C[6a]C[6a]C)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[5a]C[5a]S[5a])(C[6a]C[6a]C){1|C<4>,1|N<2>,1|O<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	128.6620	0.000	1	128.6620	0.000	1	126.6313	8.149	4	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[6,6a]C[6,6a]N[6])(C[5a]C[5a]S[5a])(C[6a]C[6a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[5a]C[5a]S[5a])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	129.0780	0.000	1	129.0780	0.000	1	126.6313	8.149	4	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[6,6a]C[6,6a]O[6])(C[5a]C[5a]S[5a])(C[6a]C[6a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[5a]C[5a]S[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	122.9240	0.000	1	122.9240	0.000	1	126.6313	8.149	4	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6,6a]-3:C[6,6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6,6a]2)(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]S[6])(C[5a]C[5a]S[5a])	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6,6a]2)(C[5a]C[5a]H)(S[5a]C[5a]){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]S[6])(C[5a]C[5a]S[5a]){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	125.2260	0.000	1	125.2260	0.000	1	125.2260	0.000	1	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,5a]-3:C[5a]-3:Br-1:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a,5a]Br)(S[5a]C[5a,5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[6a]S[5a])(Br)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a,5a]Br)(S[5a]C[5a,5a]){1|H<1>,1|S<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H){1|Br<1>,2|H<1>,5|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[6a]S[5a])(Br){4|C<3>}	131.7245	2.027	2	131.7245	4.110	2	131.7245	4.110	2	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]H)(S[5a]C[5a,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(H)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]H)(S[5a]C[5a,6a]){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H){1|S<3>,2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(H){1|H<1>,4|C<3>}	128.4510	0.000	1	128.4510	0.000	1	128.4510	0.000	1	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){3|C<3>,3|H<1>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	129.7045	0.078	2	128.8600	1.048	4	129.2700	4.044	11	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){3|C<3>,3|H<1>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	128.0155	0.534	2	128.8600	1.048	4	129.2700	4.044	11	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]S[5a])(C[6a]C[6a,6a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){3|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]S[5a])(C[6a]C[6a,6a]H){2|H<1>,6|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	132.0020	0.000	1	132.0020	0.000	1	129.2700	4.044	11	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(H)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(H){2|C<4>,3|C<3>}	129.6400	4.357	2	129.6400	18.985	2	129.2700	4.044	11	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){3|C<3>}	128.7615	2.655	2	128.8120	3.021	4	129.2700	4.044	11	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){3|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	128.8625	1.415	2	128.8120	3.021	4	129.2700	4.044	11	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]C[5a]S[5a])	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]C[5a]S[5a]){3|H<1>,7|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|C<4>,2|C<3>}	129.1650	0.000	1	130.1644	3.406	10	130.1644	3.406	10	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]C[5a]S[5a])	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]C[5a]S[5a]){3|H<1>,7|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){3|C<3>}	127.1500	0.000	1	130.1644	3.406	10	130.1644	3.406	10	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]C[5a]S[5a])	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]C[5a]S[5a]){2|H<1>,8|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	130.6661	1.628	8	130.1644	3.406	10	130.1644	3.406	10	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]C[5a])(C[5a]C[5a]S[5a])	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]C[5a])(C[5a]C[5a]S[5a]){1|S<2>,2|H<1>,7|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|C<4>,2|C<3>}	127.8633	1.078	4	127.8633	1.163	4	127.8633	1.163	4	129.8792	5.335	1108	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CN)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|B<4>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CN){1|B<4>,2|C<3>}	129.8640	0.000	1	129.8640	0.000	1	129.8640	0.000	1	132.5473	8.807	131	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[6a]N[5a])(N[5a]N[5a])	C[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|S<2>,3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|O<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[6a]N[5a])(N[5a]N[5a]){2|H<1>,4|C<3>}	131.1520	0.000	1	131.1520	0.000	1	132.2194	1.243	7	132.5473	8.807	131	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]2)(N[5a]N[5a])	C[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	132.4632	1.423	4	132.3973	1.226	6	132.2194	1.243	7	132.5473	8.807	131	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]2)(N[5a]N[5a])	C[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]2)(N[5a]N[5a]){1|H<1>,5|C<3>}	132.2655	0.073	2	132.3973	1.226	6	132.2194	1.243	7	132.5473	8.807	131	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:O-2:	C[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[5])(OC)	C[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]N[5a]){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[5])(OC){1|C<4>,1|H<1>,3|C<3>}	131.1510	0.000	1	131.1510	0.000	1	131.5042	0.782	5	132.5473	8.807	131	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:O-2:	C[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[5])(OH)	C[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]N[5a]){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[5])(OH){1|C<4>,1|H<1>,3|C<3>}	131.1940	0.000	1	131.1940	0.000	1	131.5042	0.782	5	132.5473	8.807	131	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:O-2:	C[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])2(OC)	C[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]N[5a]){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])2(OC){1|H<1>,4|C<3>}	132.4035	0.039	2	132.4035	0.002	2	131.5042	0.782	5	132.5473	8.807	131	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:O-2:	C[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])2(OH)	C[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]N[5a]){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])2(OH){1|H<1>,4|C<3>}	130.3690	0.000	1	130.3690	0.000	1	131.5042	0.782	5	132.5473	8.807	131	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a](C[5a]C[5a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[5a]O[5a])(C[5a]C[6a]N[5a])(O[5a]C[5a])	C[5a](C[5a]C[5a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,2|O<2>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a]C[5a]O[5a])(C[5a]C[6a]N[5a])(O[5a]C[5a]){1|H<1>,5|C<3>}	132.9110	0.000	1	131.8395	2.296	2	132.3165	2.015	4	132.5473	8.807	131	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a](C[5a]C[5a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[5a]O[5a])(C[5a]C[6a]N[5a])(O[5a]C[5a])	C[5a](C[5a]C[5a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,2|O<2>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|O<2>,3|C<3>}	C[5a](C[5a]C[5a]O[5a])(C[5a]C[6a]N[5a])(O[5a]C[5a]){1|H<1>,5|C<3>}	130.7680	0.000	1	131.8395	2.296	2	132.3165	2.015	4	132.5473	8.807	131	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a](C[5a]C[5a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[6a]N[5a])(O[5a]C[5a])	C[5a](C[5a]C[5a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|O<2>,1|S<2>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|O<2>,3|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[6a]N[5a])(O[5a]C[5a]){1|H<1>,5|C<3>}	131.6020	0.000	1	131.6020	0.000	1	132.3165	2.015	4	132.5473	8.807	131	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a](C[5a]C[5a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])(O[5a]C[5a])	C[5a](C[5a]C[5a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])(O[5a]C[5a]){1|H<1>,1|O<2>,1|S<2>,3|C<3>}	133.9850	0.000	1	133.9850	0.000	1	132.3165	2.015	4	132.5473	8.807	131	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(SC[6])	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(SC[6]){3|C<3>}	131.5910	0.000	1	131.5910	0.000	1	130.0227	1.168	9	132.5473	8.807	131	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(SC[6a])	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(SC[6a]){3|C<3>}	129.9267	1.125	4	129.9267	1.266	4	130.0227	1.168	9	132.5473	8.807	131	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)(SC[6a])	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){1|N<3>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)(SC[6a]){1|S<4>,2|C<3>}	130.7120	0.000	1	130.5345	0.063	2	130.0227	1.168	9	132.5473	8.807	131	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)(SC[6a])	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)(SC[6a]){1|H<1>,2|C<3>}	130.3570	0.000	1	130.5345	0.063	2	130.0227	1.168	9	132.5473	8.807	131	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])(SC[6a])	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]O[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])(SC[6a]){4|C<3>}	129.0320	0.000	1	129.0320	0.000	1	130.0227	1.168	9	132.5473	8.807	131	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]S[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]S[5a])(SS)	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]S[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|S<2>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]S[5a])(SS){4|C<3>}	128.8050	0.000	1	128.8050	0.000	1	130.0227	1.168	9	132.5473	8.807	131	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[6a]N[5a])(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[6a]N[5a])(S[5a]C[5a]){1|H<1>,1|N<3>,4|C<3>}	126.0083	1.202	3	126.0083	1.446	3	126.0083	1.446	3	132.5473	8.807	131	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:Se-2:	C[5a](C[5a]C[5a]Se)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])2(SeC[6a])	C[5a](C[5a]C[5a]Se)(C[6a]C[6a]2)(N[5a]N[5a]){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Se<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])2(SeC[6a]){1|H<1>,4|C<3>}	131.9150	0.000	1	131.9150	0.000	1	131.9150	0.000	1	132.5473	8.807	131	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,5|C<3>}	132.0250	0.000	1	130.9613	0.851	3	130.0878	1.865	5	132.5473	8.807	131	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|O<2>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){3|H<1>,4|C<3>}	130.4295	0.067	2	130.9613	0.851	3	130.0878	1.865	5	132.5473	8.807	131	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]S[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]S[5a])	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]S[5a]){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]S[5a]){1|N<2>,2|H<1>,3|C<3>}	128.7775	0.189	2	128.7775	0.036	2	130.0878	1.865	5	132.5473	8.807	131	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a](C[5a]C[6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]O)(C[6a]O[6a]O)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|O<1>,2|O<2>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]O)(C[6a]O[6a]O){1|O<2>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	135.2380	0.000	1	135.2380	0.000	1	132.2968	1.805	24	132.5473	8.807	131	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a](C[5a]C[6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,5|C<3>}	131.3070	0.000	1	131.3070	0.000	1	132.2968	1.805	24	132.5473	8.807	131	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a](C[5a]C[6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,5|C<3>}	132.0400	0.887	2	132.0400	0.786	2	132.2968	1.805	24	132.5473	8.807	131	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a](C[5a]C[6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	132.9970	0.353	6	132.2249	1.624	20	132.2968	1.805	24	132.5473	8.807	131	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a](C[5a]C[6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(O[5a]C[5a]){1|N<3>,2|H<1>,4|C<3>}	130.9200	0.000	1	132.2249	1.624	20	132.2968	1.805	24	132.5473	8.807	131	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a](C[5a]C[6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|S<2>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(O[5a]C[5a]){1|S<2>,2|H<1>,4|C<3>}	132.4090	0.000	1	132.2249	1.624	20	132.2968	1.805	24	132.5473	8.807	131	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a](C[5a]C[6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,5|C<3>}	132.1160	0.991	10	132.2249	1.624	20	132.2968	1.805	24	132.5473	8.807	131	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a](C[5a]C[6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(O[5a]C[5a]){3|H<1>,4|C<3>}	131.0135	3.608	2	132.2249	1.624	20	132.2968	1.805	24	132.5473	8.807	131	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a](C[5a]C[6a]S[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(S[5a]C[5a])	C[5a](C[5a]C[6a]S[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(S[5a]C[5a]){1|N<2>,2|H<1>,4|C<3>}	127.5300	0.000	1	127.5300	0.000	1	127.5300	0.000	1	132.5473	8.807	131	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N-3:S[5a]-2:	C[5a](C[5a]S[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(NC[3x6]C[6a])(S[5a]C[5a])	C[5a](C[5a]S[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(NC[3x6]C[6a])(S[5a]C[5a]){3|C<3>}	128.3830	0.000	1	128.3830	0.000	1	128.3830	0.000	1	132.5473	8.807	131	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5]-3:O[5a]-2:	C[5a](C[5a]O[5a]N[5])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5]C[5,6a]C[5])(O[5a]C[5a])	C[5a](C[5a]O[5a]N[5])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5]C[5,6a]C[5])(O[5a]C[5a]){2|C<4>,2|H<1>,4|C<3>}	132.0950	0.000	1	132.0950	0.000	1	132.0950	0.000	1	132.5473	8.807	131	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-2:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]N[5a])(CN)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]N[5a])(CN){4|C<3>}	130.7410	0.000	1	130.7410	0.000	1	130.3887	0.431	3	132.5473	8.807	131	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-2:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(CC)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(CC){2|C<3>}	130.2125	0.822	2	130.2125	0.676	2	130.3887	0.431	3	132.5473	8.807	131	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:S-2:	C[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(SC)	C[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(SC){2|C<3>}	131.6623	1.040	3	131.6623	1.082	3	131.6623	1.082	3	132.5473	8.807	131	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:S[5a]-2:	C[5a](C[5a]N[5a]S[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]N[5a])(S[5a]C[5a])	C[5a](C[5a]N[5a]S[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]N[5a])(S[5a]C[5a]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	127.7550	0.000	1	127.7550	0.000	1	128.1760	0.672	4	132.5473	8.807	131	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:S[5a]-2:	C[5a](C[5a]N[5a]S[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]N[5a])(S[5a]C[5a])	C[5a](C[5a]N[5a]S[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]N[5a])(S[5a]C[5a]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	129.2880	0.000	1	128.3163	0.889	3	128.1760	0.672	4	132.5473	8.807	131	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:S[5a]-2:	C[5a](C[5a]N[5a]S[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]N[5a])(S[5a]C[5a])	C[5a](C[5a]N[5a]S[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,2|N<2>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]N[5a])(S[5a]C[5a]){1|H<1>,2|N<2>,3|C<3>}	127.8305	0.602	2	128.3163	0.889	3	128.1760	0.672	4	132.5473	8.807	131	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-2:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[3x6]N[5a])(C[5a]C[6a]N[5a])(CN)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](N[5a]C[3x6]N[5a])(C[5a]C[6a]N[5a])(CN){2|C<3>,3|C<4>}	131.6005	0.810	4	131.6005	0.656	4	131.6005	0.656	4	132.5473	8.807	131	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(CN)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|C<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(CN){5|C<3>}	135.2123	1.095	3	135.2123	1.198	3	134.9564	0.749	5	132.5473	8.807	131	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CN)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|C<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CN){3|C<3>}	134.8030	0.000	1	134.8030	0.000	1	134.9564	0.749	5	132.5473	8.807	131	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]F)(CC)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){1|F<1>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|C<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]F)(CC){3|C<3>}	134.3420	0.000	1	134.3420	0.000	1	134.9564	0.749	5	132.5473	8.807	131	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N-2:	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(NS)	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(NS){1|C<4>,2|C<3>}	136.2650	0.000	1	136.2650	0.000	1	136.2650	0.000	1	132.5473	8.807	131	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[6a]O[5a])(N[5a]C[5a])	C[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[6a]O[5a])(N[5a]C[5a]){1|H<1>,1|N<3>,5|C<3>}	136.3960	0.000	1	136.3960	0.000	1	136.3960	0.000	1	132.5473	8.807	131	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:O-2:	C[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(OH)	C[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(OH){3|C<3>}	134.0490	0.000	1	134.0490	0.000	1	134.0490	0.000	1	132.5473	8.807	131	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(SC[6a])	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(SC[6a]){3|C<3>}	135.4720	0.000	1	135.4720	0.000	1	135.7451	0.412	7	132.5473	8.807	131	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(SC)	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(O[5a]C[5a]){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(SC){3|C<3>}	135.5950	0.774	4	135.5950	0.600	4	135.7451	0.412	7	132.5473	8.807	131	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(SC[6a])	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(O[5a]C[5a]){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(SC[6a]){3|C<3>}	136.4360	0.000	1	136.4360	0.000	1	135.7451	0.412	7	132.5473	8.807	131	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(O[5a]N[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])(SC[6a])	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(O[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])(SC[6a]){4|C<3>}	135.9280	0.000	1	135.9280	0.000	1	135.7451	0.412	7	132.5473	8.807	131	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|O<1>,2|O<2>,3|C<3>}	138.1130	0.000	1	136.6172	1.114	24	136.6172	1.114	24	132.5473	8.807	131	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	136.0657	0.888	6	136.6172	1.114	24	136.6172	1.114	24	132.5473	8.807	131	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(O[5a]C[5a]){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|H<1>,4|C<3>}	137.8860	0.000	1	136.6172	1.114	24	136.6172	1.114	24	132.5473	8.807	131	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(O[5a]C[5a]){1|S<2>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|S<2>,2|H<1>,4|C<3>}	136.7480	0.000	1	136.6172	1.114	24	136.6172	1.114	24	132.5473	8.807	131	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|O<2>,5|C<3>}	136.8635	0.419	2	136.6172	1.114	24	136.6172	1.114	24	132.5473	8.807	131	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,5|C<3>}	136.5490	0.000	1	136.6172	1.114	24	136.6172	1.114	24	132.5473	8.807	131	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	136.3427	0.945	10	136.6172	1.114	24	136.6172	1.114	24	132.5473	8.807	131	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(O[5a]C[5a]){3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,4|C<3>}	137.9850	1.778	2	136.6172	1.114	24	136.6172	1.114	24	132.5473	8.807	131	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]2)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]N[5a])(N[5a]C[5a])	C[5a](C[5a]N[5a]2)(C[6a]C[6a]2)(O[5a]C[5a]){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]N[5a])(N[5a]C[5a]){1|H<1>,5|C<3>}	137.2100	0.000	1	137.2100	0.000	1	137.2100	0.000	1	132.5473	8.807	131	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]O)2	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[6a]S[5a])(N[5a]C[5a])	C[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(S[5a]C[5a]){2|O<2>,5|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]O)2{1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[6a]S[5a])(N[5a]C[5a]){1|H<1>,1|S<2>,5|C<3>}	129.0290	0.864	3	129.0290	0.747	3	129.0290	0.747	3	132.5473	8.807	131	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:O-2:	C[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(OC)	C[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(S[5a]C[5a]){1|C<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(OC){3|C<3>}	130.1095	1.962	2	130.1095	3.850	2	130.1095	3.850	2	132.5473	8.807	131	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a])(SS)	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a])(SS){1|C<4>,4|C<3>}	130.9280	0.823	2	130.9280	0.677	2	131.4690	0.510	6	132.5473	8.807	131	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]S)(SS)	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(S[5a]C[5a]){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]S)(SS){3|C<3>}	131.8570	0.645	3	131.8570	0.416	3	131.4690	0.510	6	132.5473	8.807	131	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(S[5a]N[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]S[5a])(SS)	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(S[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]S[5a])(SS){4|C<3>}	131.3870	0.000	1	131.3870	0.000	1	131.4690	0.510	6	132.5473	8.807	131	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]S[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(S[5a]C[5a]){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<3>,2|C<3>,2|N<2>}	C[5a](C[5a]C[6a]S[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<2>,2|H<1>,4|C<3>}	131.0460	0.000	1	131.0460	0.000	1	131.0460	0.000	1	132.5473	8.807	131	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a](C[5a]C[6a]S[5a])(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]S[5a])(C[6a]C[6a]2)(S[5a]C[5a])	C[5a](C[5a]C[6a]S[5a])(C[6a]C[6a]2)(S[5a]C[5a]){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[6a]C[6a]2)(S[5a]C[5a]){1|O<1>,2|H<1>,4|C<3>}	128.0860	0.747	2	128.0860	0.558	2	128.0860	0.558	2	132.5473	8.807	131	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[6a]-3:C[5a]-3:O[5a]-2:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C)(O[5a]C[5a,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]O[5a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CN)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C)(O[5a]C[5a,6a]){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]O[5a])(C[6a]C[6a]H){1|C<2>,2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CN){1|H<1>,4|C<3>}	131.4680	0.000	1	131.4680	0.000	1	131.4680	0.000	1	132.5473	8.807	131	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CC[6a]O)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CC[6a]O){1|C<4>,2|C<3>}	132.0760	0.000	1	132.0760	0.000	1	129.9358	1.874	66	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CHO)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CHO){3|C<3>}	130.5760	0.000	1	130.7987	2.375	3	129.9358	1.874	66	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CHO)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CHO){3|C<3>}	132.4390	0.000	1	130.7987	2.375	3	129.9358	1.874	66	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CHO)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CHO){3|C<3>}	129.3810	0.000	1	130.7987	2.375	3	129.9358	1.874	66	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CCO)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CCO){3|C<3>}	130.5550	0.000	1	130.5550	0.000	1	129.9358	1.874	66	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CNO)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CNO){3|C<3>}	130.4083	1.118	3	130.4083	1.250	3	129.9358	1.874	66	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(COO)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(COO){3|C<3>}	131.7950	0.000	1	131.7950	0.000	1	129.9358	1.874	66	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CCH)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CCH){3|C<3>}	129.3912	1.246	6	129.3912	1.553	6	129.9358	1.874	66	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CC[6a]O)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CC[6a]O){3|C<3>}	128.8045	0.398	2	128.8045	0.158	2	129.9358	1.874	66	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CHN)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,4|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CHN){1|H<1>,2|C<3>}	128.8775	1.488	2	128.6562	0.804	4	129.9358	1.874	66	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CHN)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CHN){3|C<3>}	128.4350	0.000	2	128.6562	0.804	4	129.9358	1.874	66	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CHO)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CHO){3|C<3>}	130.2635	1.187	13	130.2635	1.408	13	129.9358	1.874	66	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CC[5a]O)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CC[5a]O){3|C<3>}	130.4330	0.000	1	130.4330	0.000	1	129.9358	1.874	66	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CC[6a]N)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CC[6a]N){3|C<3>}	128.7786	0.900	5	128.7786	0.810	5	129.9358	1.874	66	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])2(COO)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])2(COO){5|C<3>}	133.1600	0.000	1	133.1600	0.000	1	129.9358	1.874	66	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])(CNO)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]){2|C<4>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])(CNO){4|C<3>}	130.1670	0.000	1	130.1670	0.000	1	129.9358	1.874	66	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)(COO)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]){2|C<3>,3|C<4>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)(COO){2|C<3>}	129.7360	0.000	1	129.7360	0.000	1	129.9358	1.874	66	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]H)(CNO)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]H)(CNO){2|C<3>}	128.3590	0.000	1	128.3590	0.000	1	129.9358	1.874	66	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]H)(COO)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]H)(COO){2|C<3>}	128.4320	0.000	1	128.4320	0.000	1	129.9358	1.874	66	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]N)(CC[6a]N)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]){1|N<2>,2|C<3>,2|C<4>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]N)(CC[6a]N){2|C<3>}	129.4690	0.000	1	129.4690	0.000	1	129.9358	1.874	66	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)(CNO)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)(CNO){2|C<3>}	130.6330	0.000	1	130.6330	0.000	1	129.9358	1.874	66	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]H)(CCO)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]){2|Cl<1>,1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2{1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]H)(CCO){2|C<3>}	130.8540	0.000	1	130.8540	0.000	1	129.9358	1.874	66	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]H)(COO)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]){2|Cl<1>,1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2{1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]H)(COO){2|C<3>}	129.4750	0.491	4	129.4750	0.241	4	129.9358	1.874	66	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]O[5a])(C[5a]C[6a]N[5a])(COO)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]O[5a])(C[5a]C[6a]N[5a])(COO){4|C<3>}	130.7145	0.214	2	130.7145	0.046	2	129.9358	1.874	66	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)(CCO)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)(CCO){2|C<3>}	130.9000	0.000	1	130.9000	0.000	1	129.9358	1.874	66	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)(CC[6a]O)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)(CC[6a]O){2|C<3>}	128.8490	0.000	1	128.8490	0.000	1	129.9358	1.874	66	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)(CNN)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)(CNN){2|C<3>}	130.8320	0.000	1	130.8320	0.000	1	129.9358	1.874	66	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)(CNO)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)(CNO){2|C<3>}	128.8450	0.000	1	128.8450	0.000	1	129.9358	1.874	66	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)(COO)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Cl<1>,1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)(COO){2|C<3>}	131.8110	0.000	1	131.3048	0.246	6	129.9358	1.874	66	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)(COO)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)(COO){2|C<3>}	131.4633	0.384	3	131.3048	0.246	6	129.9358	1.874	66	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)(COO)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)(COO){2|C<3>}	130.8140	0.349	2	131.3048	0.246	6	129.9358	1.874	66	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]S[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]S[5a])(COO)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]S[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]S[5a])(COO){4|C<3>}	126.9945	0.269	2	126.9945	0.073	2	129.9358	1.874	66	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])(C[5a]N[5a]H)	C[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]N[5a]){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])(C[5a]N[5a]H){1|H<1>,1|N<2>,5|C<3>}	129.6400	0.000	1	129.6400	0.000	1	130.3310	5.349	5	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S[5a])(C[5a]N[5a]H)	C[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,1|S<2>,2|C<3>,4|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S[5a])(C[5a]N[5a]H){1|H<1>,1|N<3>,3|C<3>}	133.5140	0.000	1	133.5140	0.000	1	130.3310	5.349	5	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])(C[5a]O[5a]H)	C[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]O[5a]){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])(C[5a]O[5a]H){2|N<3>,3|C<3>}	131.0530	0.000	1	131.0530	0.000	1	130.3310	5.349	5	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]O[5a])(C[5a]C[6a]N[5a])(C[5a]O[5a]H)	C[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]O[5a]){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]O[5a])(C[5a]C[6a]N[5a])(C[5a]O[5a]H){1|N<2>,4|C<3>}	130.3210	0.000	1	130.3210	0.000	1	130.3310	5.349	5	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]S[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O[5a])(C[5a]S[5a]H)	C[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]S[5a]){1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O[5a])(C[5a]S[5a]H){1|S<2>,3|C<3>}	127.1270	0.000	1	127.1270	0.000	1	130.3310	5.349	5	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	130.2250	0.000	1	130.2250	0.000	1	129.5429	0.809	20	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){4|C<3>,4|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	130.2560	0.000	1	130.2560	0.000	1	129.5429	0.809	20	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]2){2|H<1>,5|C<3>}	128.8465	0.672	4	128.8465	0.451	4	129.5429	0.809	20	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2){2|H<1>,7|C<3>}	129.6942	0.770	5	129.7175	0.478	6	129.5429	0.809	20	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2){1|N<2>,2|H<1>,6|C<3>}	129.8340	0.000	1	129.7175	0.478	6	129.5429	0.809	20	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a]){1|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2){1|H<1>,7|C<3>}	129.1126	1.117	5	129.1126	1.248	5	129.5429	0.809	20	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a]){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	130.2140	0.000	1	130.2140	0.000	1	129.5429	0.809	20	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	130.9520	0.000	1	130.9520	0.000	1	129.5429	0.809	20	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]Si)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a]){1|Si<4>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]Si)(C[6a]C[6a]2){2|H<1>,4|C<3>}	129.9570	0.000	1	129.9570	0.000	1	129.5429	0.809	20	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](C[5a]C[6a]N[5a])2(NOO)	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,2|H<1>,2|N<3>}	C[5a](C[5a]C[6a]N[5a])2(NOO){1|H<1>,4|C<3>}	132.6490	0.000	1	132.6490	0.000	1	129.4814	14.202	5	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])2(NOO)	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<3>}	C[5a](C[5a]C[6a]N[5a])2(NOO){1|C<4>,4|C<3>}	132.9200	0.000	1	132.9200	0.000	1	129.4814	14.202	5	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)(NHS)	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]O[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)(NHS){2|C<3>}	130.8940	0.000	1	130.8940	0.000	1	129.4814	14.202	5	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]S[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]S[5a]C)(NHH)	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]S[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]S[5a]C)(NHH){2|C<3>}	125.4720	0.897	2	125.4720	0.804	2	129.4814	14.202	5	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])(N[5a]N[5a]C)	C[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])(N[5a]N[5a]C){1|C<4>,2|N<2>,3|C<3>}	130.5855	0.069	2	130.5855	0.005	2	131.2704	0.376	15	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])	C[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a]){2|N<2>,6|C<3>}	131.1397	0.499	6	131.1397	0.249	6	131.2704	0.376	15	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])(N[5a]N[5a]C)	C[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|H<1>,2|N<2>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])(N[5a]N[5a]C){1|C<4>,2|N<2>,3|C<3>}	131.0705	0.535	2	131.4155	0.240	6	131.2704	0.376	15	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])(N[5a]N[5a]C)	C[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])(N[5a]N[5a]C){1|C<4>,2|N<2>,3|C<3>}	131.5880	0.431	4	131.4155	0.240	6	131.2704	0.376	15	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O[5a])(N[5a]N[5a]C)	C[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O[5a])(N[5a]N[5a]C){4|C<3>}	132.5540	0.000	1	132.5540	0.000	1	131.2704	0.376	15	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6]-3:N[5a]-3:	C[5a](C[5a]N[5a]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]F)2	C[5a](C[5a]C[6a]N[5a])(C[6]C[6]N[6])(N[5a]N[5a]Ir)	C[5a](C[5a]N[5a]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|Ir<6>,1|N<3>,2|F<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]F)2{1|N<2>,1|N<3>,2|C<3>,2|F<1>}	C[5a](C[5a]C[6a]N[5a])(C[6]C[6]N[6])(N[5a]N[5a]Ir){1|H<1>,4|C<3>}	129.6820	0.000	1	129.6820	0.000	1	129.6820	0.000	1	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|S<2>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>,2|N<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]H){1|S<2>,2|H<1>,4|C<3>}	130.6490	0.000	1	130.6490	0.000	1	130.1776	1.432	107	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){1|S<2>,2|H<1>,4|C<3>}	131.2850	0.000	1	129.7489	1.405	49	130.1776	1.432	107	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|S<3>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){1|S<3>,2|H<1>,4|C<3>}	130.1500	0.000	1	129.7489	1.405	49	130.1776	1.432	107	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){2|H<1>,5|C<3>}	129.6379	1.274	38	129.7489	1.405	49	130.1776	1.432	107	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){3|H<1>,4|C<3>}	130.0722	0.522	5	129.7489	1.405	49	130.1776	1.432	107	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){3|H<1>,4|C<3>}	129.9145	0.951	4	129.7489	1.405	49	130.1776	1.432	107	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]H){1|N<2>,2|H<1>,4|C<3>}	129.0780	0.000	1	130.5379	1.209	57	130.1776	1.432	107	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|S<2>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]H){1|S<2>,2|H<1>,4|C<3>}	133.1020	0.000	1	130.5379	1.209	57	130.1776	1.432	107	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,5|C<3>}	130.3082	0.432	4	130.5379	1.209	57	130.1776	1.432	107	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,5|C<3>}	130.6149	1.098	46	130.5379	1.209	57	130.1776	1.432	107	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){4|C<3>,4|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]H){3|H<1>,4|C<3>}	129.9320	0.000	1	130.5379	1.209	57	130.1776	1.432	107	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){4|C<3>,4|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]H){3|H<1>,4|C<3>}	129.7568	0.557	4	130.5379	1.209	57	130.1776	1.432	107	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])(CHO)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])(CHO){5|C<3>}	130.8605	1.146	2	130.8605	1.314	2	131.4718	2.337	16	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])(COO)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])(COO){5|C<3>}	132.2040	0.171	2	132.2040	0.029	2	131.4718	2.337	16	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)(CC[6a]O)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)(CC[6a]O){1|N<3>,2|C<3>}	129.1255	0.463	2	129.1255	0.215	2	131.4718	2.337	16	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)(COO)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)(COO){1|C<4>,2|C<3>}	133.2160	1.136	2	133.2160	1.290	2	131.4718	2.337	16	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]N)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(COO)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<3>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]N){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(COO){2|C<3>}	132.7150	0.000	1	132.7150	0.000	1	131.4718	2.337	16	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(CCH)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(CCH){4|C<3>}	129.0970	0.000	1	129.0970	0.000	1	131.4718	2.337	16	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(CCO)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(CCO){2|C<3>}	131.3793	1.126	3	131.3793	1.267	3	131.4718	2.337	16	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(CC[6a]C)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(CC[6a]C){2|C<3>}	131.4060	0.000	1	131.4060	0.000	1	131.4718	2.337	16	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(CHO)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(CHO){2|C<3>}	133.2280	0.000	1	133.2280	0.000	1	131.4718	2.337	16	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(CNO)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(CNO){2|C<3>}	132.1530	0.000	1	132.1530	0.000	1	131.4718	2.337	16	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C[6]-3:	C[5a](C[5a]N[5a]C[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)(C[6]C[6]2)	C[5a](C[5a]N[5a]C[6])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)(C[6]C[6]2){2|H<1>,5|C<3>}	130.8540	1.942	2	130.8540	3.770	2	130.8540	3.770	2	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]2){2|H<1>,2|N<2>,6|C<3>}	130.7480	0.000	1	130.1680	0.649	20	130.3471	1.277	58	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,7|C<3>}	130.0090	0.000	1	130.1680	0.649	20	130.3471	1.277	58	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]2){1|C<4>,1|H<1>,2|N<2>,6|C<3>}	129.9590	0.000	1	130.1680	0.649	20	130.3471	1.277	58	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]2){1|N<2>,2|H<1>,7|C<3>}	130.7280	0.000	1	130.1680	0.649	20	130.3471	1.277	58	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]2){2|H<1>,2|N<2>,6|C<3>}	130.1198	0.878	16	130.1680	0.649	20	130.3471	1.277	58	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|B<3>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2){1|B<3>,2|H<1>,6|C<3>}	131.2185	0.620	2	130.3232	1.146	34	130.3471	1.277	58	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	130.2484	1.107	30	130.3232	1.146	34	130.3471	1.277	58	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|F<1>,1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	130.6380	0.000	1	130.3232	1.146	34	130.3471	1.277	58	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2){1|N<2>,3|H<1>,5|C<3>}	130.4620	0.000	1	130.3232	1.146	34	130.3471	1.277	58	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]Fe)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|Fe<5>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]Fe)(C[6a]C[6a]2){3|H<1>,4|C<3>}	129.2070	0.000	1	129.2070	0.000	1	130.3471	1.277	58	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]H)(C[6a]O[6a]O)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]H)(C[6a]O[6a]O){1|N<2>,1|N<3>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	132.7455	2.942	2	132.7455	8.657	2	130.3471	1.277	58	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	131.0860	0.000	1	131.0860	0.000	1	130.3471	1.277	58	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:N-3:	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)(NHS)	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)(NHS){3|C<3>}	129.4770	0.000	1	129.6415	0.054	2	130.6988	1.262	5	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:N-3:	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)(NHS)	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)(NHS){3|C<3>}	129.8060	0.000	1	129.6415	0.054	2	130.6988	1.262	5	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:N-3:	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(NCS)	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,2|H<1>,2|N<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(NCS){2|C<3>}	131.4180	0.000	1	131.4180	0.000	1	130.6988	1.262	5	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:N-3:	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]S)(NCH)	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,2|H<1>,2|N<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]S)(NCH){2|C<3>}	132.1920	0.000	1	132.1920	0.000	1	130.6988	1.262	5	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:N-3:	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]S)(NHS)	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,2|H<1>,2|N<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]S)(NHS){2|C<3>}	130.6010	0.000	1	130.6010	0.000	1	130.6988	1.262	5	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:N[5]-3:	C[5a](C[5a]N[5a]N[5])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(N[5]C[5]2)	C[5a](C[5a]N[5a]N[5])(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|N<2>,2|H<1>,2|N<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	134.0550	0.000	1	134.0550	0.000	1	132.0122	1.864	4	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:N[5]-3:	C[5a](C[5a]N[5a]N[5])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(N[5]C[5]2)	C[5a](C[5a]N[5a]N[5])(C[6a]C[6a]2)(N[5a]N[5a]){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,2|H<1>,2|N<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	131.3313	0.117	3	131.3313	0.014	3	132.0122	1.864	4	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:P-3:	C[5a](C[5a]N[5a]P)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(PC[6a]2)	C[5a](C[5a]N[5a]P)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|P<3>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,1|N<2>,1|N<3>,1|P<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(PC[6a]2){4|C<3>}	132.2950	0.150	2	132.2950	0.022	2	131.7744	2.200	5	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:P-3:	C[5a](C[5a]N[5a]P)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(PC[6a]2)	C[5a](C[5a]N[5a]P)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,1|P<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(PC[6a]2){4|C<3>}	130.7395	2.244	2	130.7395	5.034	2	131.7744	2.200	5	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:P-3:	C[5a](C[5a]N[5a]P)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(PC[6a]2)	C[5a](C[5a]N[5a]P)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,1|P<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(PC[6a]2){2|C<3>}	132.8030	0.000	1	132.8030	0.000	1	131.7744	2.200	5	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6,6a]N[6a])(C[5a]C[6a]N[5a])(C[5a]N[5a]H)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](C[6a]C[6,6a]N[6a])(C[5a]C[6a]N[5a])(C[5a]N[5a]H){6|C<3>}	129.4480	0.000	1	129.4480	0.000	1	128.4380	2.040	2	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a])(C[5a]N[5a]O)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a])(C[5a]N[5a]O){1|C<4>,1|N<3>,5|C<3>}	127.4280	0.000	1	127.4280	0.000	1	128.4380	2.040	2	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a])(N[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a])(N[5a]N[5a]C){1|O<2>,5|C<3>}	131.0670	1.228	2	131.0670	1.507	2	131.0670	1.507	2	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[5])(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5]C[5,6a]C[5])(C[5a]C[6a]O[5a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C[5])(C[6a]C[6a]2)(O[5a]C[5a]){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](C[5]C[5,6a]C[5])(C[5a]C[6a]O[5a])(C[5a]C[5a]H){1|C<4>,1|N<2>,1|N<3>,4|C<3>}	135.0790	0.000	1	135.0790	0.000	1	135.0790	0.000	1	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(COO)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(COO){3|C<3>}	136.9200	1.502	3	136.9200	2.257	3	136.1165	2.087	35	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(CNO)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(CNO){1|C<4>,2|C<3>}	136.0585	0.172	2	136.0585	0.030	2	136.1165	2.087	35	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(COO)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){1|H<1>,1|O<2>,2|C<2>,2|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(COO){1|C<2>,2|C<3>}	133.9810	0.000	1	133.9810	0.000	1	136.1165	2.087	35	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(CC[6a]O)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(CC[6a]O){5|C<3>}	134.7310	1.488	3	134.7310	2.213	3	136.1165	2.087	35	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(CNO)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(CNO){5|C<3>}	135.5240	0.000	1	135.5240	0.000	1	136.1165	2.087	35	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(COO)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(COO){1|C<4>,4|C<3>}	136.0890	0.000	1	135.8130	1.287	4	136.1165	2.087	35	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(COO)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(COO){1|N<3>,4|C<3>}	134.1900	0.000	1	135.8130	1.287	4	136.1165	2.087	35	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(COO)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(COO){5|C<3>}	136.4865	0.493	2	135.8130	1.287	4	136.1165	2.087	35	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CCC)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CCC){3|C<3>}	135.1990	0.000	1	135.1990	0.000	1	136.1165	2.087	35	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CCH)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CCH){3|C<3>}	134.8230	0.433	2	134.8230	0.187	2	136.1165	2.087	35	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CC[5a]O)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CC[5a]O){1|N<3>,2|C<3>}	137.7310	0.000	1	137.7310	0.000	1	136.1165	2.087	35	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CC[6a]O)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CC[6a]O){1|C<4>,2|C<3>}	134.9035	0.515	2	134.9875	0.634	4	136.1165	2.087	35	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CC[6a]O)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CC[6a]O){3|C<3>}	135.0715	1.268	2	134.9875	0.634	4	136.1165	2.087	35	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(COO)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(COO){1|N<3>,2|C<3>}	138.7620	0.000	1	137.3443	1.512	3	136.1165	2.087	35	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(COO)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(COO){1|S<2>,2|C<3>}	136.5640	0.000	1	137.3443	1.512	3	136.1165	2.087	35	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(COO)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|H<1>,1|O<2>,4|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(COO){3|C<3>}	136.7070	0.000	1	137.3443	1.512	3	136.1165	2.087	35	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(CC[6a]O)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(CC[6a]O){1|C<4>,2|C<3>}	135.3190	0.000	1	135.3190	0.000	1	136.1165	2.087	35	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){2|C<3>,4|H<1>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(COO){1|H<1>,2|C<3>}	137.6705	0.581	2	137.8690	0.287	3	136.1165	2.087	35	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(COO){3|C<3>}	138.2660	0.000	1	137.8690	0.287	3	136.1165	2.087	35	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]S)(COO)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]S)(COO){3|C<3>}	136.7280	0.000	1	136.7280	0.000	1	136.1165	2.087	35	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]N[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])(CNO)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])(CNO){4|C<3>}	136.3350	0.000	1	136.3350	0.000	1	136.1165	2.087	35	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]N[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C)(CHN)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C)(CHN){2|C<3>}	138.5630	0.000	1	138.5630	0.000	1	136.1165	2.087	35	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]N[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C)(CHO)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C)(CHO){2|C<3>}	138.0850	0.000	1	138.0850	0.000	1	136.1165	2.087	35	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]N[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C)(COO)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C)(COO){2|C<3>}	134.4770	0.000	1	134.4770	0.000	1	136.1165	2.087	35	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]N[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]H)(CCO)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]N[5a]){2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]H)(CCO){2|C<3>}	136.5790	0.000	1	136.5790	0.000	1	136.1165	2.087	35	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])	C[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(O[5a]C[5a]){1|H<1>,1|N<3>,6|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a]){1|N<3>,8|C<3>}	133.0360	0.000	1	133.0360	0.000	1	134.3150	2.331	7	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])	C[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(O[5a]C[5a]){1|H<1>,1|O<2>,6|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a]){1|N<3>,8|C<3>}	132.9810	2.138	2	132.9810	4.572	2	134.3150	2.331	7	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])	C[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a]){1|N<3>,8|C<3>}	135.1505	0.094	2	135.3017	0.107	4	134.3150	2.331	7	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])	C[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a]){1|N<3>,8|C<3>}	135.4530	0.471	2	135.3017	0.107	4	134.3150	2.331	7	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a]){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	134.9920	0.000	1	134.9920	0.000	1	135.2825	0.880	42	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	135.1647	0.187	4	135.1647	0.035	4	135.2825	0.880	42	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]2)(C[6a]C[6a]2){2|H<1>,7|C<3>}	136.2347	0.550	7	136.2347	0.302	7	135.2825	0.880	42	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a]){1|C<2>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|H<1>,1|O<2>,5|C<3>}	134.6270	1.114	2	134.7715	0.692	13	135.2825	0.880	42	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a]){1|C<2>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	135.6000	0.000	1	134.7715	0.692	13	135.2825	0.880	42	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	134.5225	0.603	4	134.7715	0.692	13	135.2825	0.880	42	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|Br<1>,1|H<1>,5|C<3>}	135.4960	0.000	1	134.7715	0.692	13	135.2825	0.880	42	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|H<1>,1|O<2>,5|C<3>}	132.9930	0.000	1	134.7715	0.692	13	135.2825	0.880	42	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	135.1200	0.603	3	134.7715	0.692	13	135.2825	0.880	42	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a]){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,4|C<3>}	135.2370	0.000	1	134.7715	0.692	13	135.2825	0.880	42	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]F)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a]){1|F<1>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]F)(C[6a]C[6a]2){2|H<1>,5|C<3>}	134.8210	0.000	1	134.8210	0.000	1	135.2825	0.880	42	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	136.0960	0.000	1	135.6937	0.673	6	135.2825	0.880	42	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a]){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	135.4398	0.925	4	135.6937	0.673	6	135.2825	0.880	42	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a]){4|C<3>,4|H<1>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,4|C<3>}	136.3070	0.000	1	135.6937	0.673	6	135.2825	0.880	42	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]N[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]N[5a]){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	133.7390	0.000	1	133.7390	0.000	1	135.2825	0.880	42	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]N[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]N[5a]){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2){1|H<1>,7|C<3>}	135.6428	1.348	5	135.6428	1.817	5	135.2825	0.880	42	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]N[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]N[5a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|H<1>,5|C<3>}	134.8220	0.000	1	134.9620	0.227	3	135.2825	0.880	42	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]N[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]N[5a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	135.0320	0.652	2	134.9620	0.227	3	135.2825	0.880	42	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]N[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]N[5a]){3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	134.7170	0.000	1	134.7170	0.000	1	135.2825	0.880	42	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(NCC)	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(O[5a]C[5a]){1|Br<1>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(NCC){3|C<3>}	133.5730	0.000	1	133.5730	0.000	1	135.3545	0.869	13	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(NCC)	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(NCC){3|C<3>}	135.9170	0.000	1	136.1600	0.118	2	135.3545	0.869	13	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(NCC)	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(NCC){3|C<3>}	136.4030	0.000	1	136.1600	0.118	2	135.3545	0.869	13	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(NHS)	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(NHS){1|C<4>,4|C<3>}	136.7810	0.000	1	136.7810	0.000	1	135.3545	0.869	13	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(NCC)	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(O[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(NCC){1|C<4>,2|C<3>}	135.9330	0.000	1	135.9330	0.000	1	135.3545	0.869	13	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(NCH)	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(NCH){3|C<3>}	134.9078	0.561	6	134.9078	0.315	6	135.3545	0.869	13	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(NC[6a]C)	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(NC[6a]C){1|C<4>,2|C<3>}	135.3620	0.000	1	135.7770	0.344	2	135.3545	0.869	13	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(NC[6a]C)	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(NC[6a]C){3|C<3>}	136.1920	0.000	1	135.7770	0.344	2	135.3545	0.869	13	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){1|O<1>,2|H<1>,4|C<3>}	135.7760	0.000	1	135.7760	0.000	1	135.7760	0.000	1	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]C)(CCH)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]C)(CCH){1|O<1>,2|C<3>}	135.8020	0.000	1	135.8020	0.000	1	135.8020	0.000	1	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(CC[6a]O)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(S[5a]C[5a]){1|Br<1>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(CC[6a]O){1|N<3>,2|C<3>}	129.9230	0.000	1	129.9230	0.000	1	130.9788	2.038	12	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(CC[6a]O)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(S[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{1|Cl<1>,1|H<1>,4|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(CC[6a]O){1|N<3>,2|C<3>}	129.8650	0.000	1	129.6275	0.113	2	130.9788	2.038	12	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(CC[6a]O)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(S[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(CC[6a]O){1|N<3>,2|C<3>}	129.3900	0.000	1	129.6275	0.113	2	130.9788	2.038	12	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(COO)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(COO){3|C<3>}	130.2295	1.841	2	130.2295	3.388	2	130.9788	2.038	12	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(CSS)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(S[5a]C[5a]){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(CSS){1|S<2>,2|C<3>}	131.1630	0.000	1	131.1630	0.000	1	130.9788	2.038	12	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(CNS)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(S[5a]C[5a]){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(CNS){3|C<3>}	129.6630	0.000	1	129.6630	0.000	1	130.9788	2.038	12	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(S[5a]C[5a]){2|C<3>,4|H<1>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{6|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(COO){1|H<1>,2|C<3>}	131.8840	0.319	3	131.8840	0.102	3	130.9788	2.038	12	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(S[5a]N[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]S[5a])(COO)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(S[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]S[5a])(COO){4|C<3>}	132.8155	1.360	2	132.8155	1.849	2	130.9788	2.038	12	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(S[5a]C[5a]){1|C<4>,1|H<1>,6|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	130.4220	0.000	1	130.4220	0.000	1	130.6511	0.550	8	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(S[5a]C[5a]){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	130.6839	0.795	7	130.6839	0.632	7	130.6511	0.550	8	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(NC[5a]C[6a])	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(S[5a]C[5a]){1|I<1>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,1|S<2>,4|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(NC[5a]C[6a]){1|I<1>,2|C<3>}	128.7050	0.253	2	128.7050	0.064	2	130.7384	2.838	7	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(NOO)	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(NOO){3|C<3>}	130.0260	0.000	1	130.0260	0.000	1	130.7384	2.838	7	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]N)(NOO)	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(S[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]N)(NOO){3|C<3>}	131.9332	0.909	4	131.9332	0.825	4	130.7384	2.838	7	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:N-3:	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]N[5a,6a]N)(N[5a]C[5a,6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a,6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NC[6]H)	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]N[5a,6a]N)(N[5a]C[5a,6a]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a,6a]H){2|N<2>,2|N<3>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NC[6]H){1|H<1>,4|C<3>}	131.4220	0.000	1	131.4220	0.000	1	131.4220	0.000	1	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a])(N[5a]C[5a])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]2)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a])(N[5a]C[5a]){1|C<4>,1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]2){2|H<1>,2|N<2>,6|C<3>}	129.8480	0.000	1	129.8480	0.000	1	129.8480	0.000	1	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]C)(N[5a]O[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)(COO)	C[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]C)(N[5a]O[5a]){1|C<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]C[5a]N[5a]){1|O<2>,2|H<1>,7|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)(COO){2|C<3>}	127.7570	0.000	1	128.4520	0.966	2	128.4520	0.966	2	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]C)(N[5a]O[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)(COO)	C[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]C)(N[5a]O[5a]){5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]C[5a]N[5a]){1|O<2>,2|H<1>,7|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)(COO){2|C<3>}	129.1470	0.000	1	128.4520	0.966	2	128.4520	0.966	2	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[5a]-3:O[5a]-2:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C)(O[5a]C[5a,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]O[5a])(C[6a]C[6a,6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]O[5a])(CC[6a]O)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C)(O[5a]C[5a,6a]){1|O<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]O[5a])(C[6a]C[6a,6a]O){1|H<1>,7|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]O[5a])(CC[6a]O){5|C<3>}	132.7040	0.000	1	132.7040	0.000	1	132.7040	0.000	1	131.4914	6.581	445	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CH3)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CH3){3|C<3>}	130.0660	0.000	1	130.0660	0.000	1	129.8266	2.255	22	132.1325	8.167	111	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CC[6a]2H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CC[6a]2H){1|H<1>,2|C<3>}	129.8230	0.000	1	129.8230	0.000	1	129.8266	2.255	22	132.1325	8.167	111	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CH3){1|H<1>,2|C<3>}	131.6580	0.000	1	131.6580	0.000	1	129.8266	2.255	22	132.1325	8.167	111	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CC3)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,4|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CC3){1|H<1>,2|C<3>}	130.4750	0.881	4	130.4750	0.776	4	129.8266	2.255	22	132.1325	8.167	111	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CC[6a]HH)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|S<4>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CC[6a]HH){1|S<4>,2|C<3>}	129.8120	0.000	1	129.8120	0.000	1	129.8266	2.255	22	132.1325	8.167	111	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CHHN)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CHHN){3|C<3>}	128.9160	0.000	1	128.9160	0.000	1	129.8266	2.255	22	132.1325	8.167	111	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CHNP)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CHNP){3|C<3>}	129.3320	0.000	1	129.3320	0.000	1	129.8266	2.255	22	132.1325	8.167	111	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)(CC[5a]CH)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)(CC[5a]CH){1|C<4>,2|C<3>}	130.2190	0.100	2	130.2190	0.010	2	129.8266	2.255	22	132.1325	8.167	111	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CH3)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CH3){1|C<4>,2|C<3>}	130.5857	1.608	3	130.4010	1.861	4	129.8266	2.255	22	132.1325	8.167	111	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CH3)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CH3){1|N<3>,2|C<3>}	129.8470	0.000	1	130.4010	1.861	4	129.8266	2.255	22	132.1325	8.167	111	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])2(CC[6a]HH)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])2(CC[6a]HH){1|H<1>,4|C<3>}	130.1040	2.393	2	130.1040	5.726	2	129.8266	2.255	22	132.1325	8.167	111	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]H)(CHHN)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]H)(CHHN){2|C<3>}	125.1270	0.000	1	125.1270	0.000	1	129.8266	2.255	22	132.1325	8.167	111	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])(CFFH)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])(CFFH){4|C<3>}	129.6400	0.583	2	129.6400	0.339	2	129.8266	2.255	22	132.1325	8.167	111	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]O)(CC[6a]CH)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]O)(CC[6a]CH){2|C<3>}	128.0210	0.000	1	128.0210	0.000	1	129.8266	2.255	22	132.1325	8.167	111	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[3]-4:	C[5a](C[5a]C[5a]C[3])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])2(C[3]C[3]2H)	C[5a](C[5a]C[5a]C[3])(C[6a]C[6a]2)(N[5a]N[5a]){1|S<4>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])2(C[3]C[3]2H){1|S<4>,2|H<1>,6|C<3>}	130.5320	0.000	1	130.5320	0.000	1	130.5320	0.000	1	132.1325	8.167	111	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6]-4:	C[5a](C[5a]C[5a]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6]C[6]2H)	C[5a](C[5a]C[5a]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){4|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6]C[6]2H){7|C<3>}	128.8530	0.000	1	128.8530	0.000	1	128.8530	0.000	1	132.1325	8.167	111	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,1|S<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(SC[6a]OO){1|H<1>,2|C<3>}	128.2830	2.283	2	128.2830	5.210	2	130.1093	7.385	4	132.1325	8.167	111	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])2(SC[6a]OO)	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|S<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])2(SC[6a]OO){1|C<4>,4|C<3>}	133.2780	0.000	1	131.9355	3.605	2	130.1093	7.385	4	132.1325	8.167	111	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])2(SC[6a]OO)	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|S<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])2(SC[6a]OO){5|C<3>}	130.5930	0.000	1	131.9355	3.605	2	130.1093	7.385	4	132.1325	8.167	111	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)(CCHH)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)(CCHH){3|C<3>}	129.8960	0.000	1	129.8960	0.000	1	130.4783	0.948	15	132.1325	8.167	111	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)(CH3){3|C<3>}	129.6200	0.000	1	129.6200	0.000	1	130.4783	0.948	15	132.1325	8.167	111	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)(CCCH)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)(CCCH){1|C<4>,2|C<3>}	129.3543	0.290	3	129.3543	0.084	3	130.4783	0.948	15	132.1325	8.167	111	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)(CH3)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,4|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)(CH3){1|H<1>,2|C<3>}	130.1160	0.000	1	130.1160	0.000	1	130.4783	0.948	15	132.1325	8.167	111	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(CH3)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|N<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(CH3){4|C<3>}	130.6410	0.000	1	130.6410	0.000	1	130.4783	0.948	15	132.1325	8.167	111	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(CCHH)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(CCHH){4|C<3>}	131.2530	0.000	1	131.2530	0.000	1	130.4783	0.948	15	132.1325	8.167	111	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(CC[5a]2H)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(CC[5a]2H){4|C<3>}	132.0790	0.000	1	132.0790	0.000	1	130.4783	0.948	15	132.1325	8.167	111	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(CC[6a]HN)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(CC[6a]HN){4|C<3>}	129.5510	0.000	1	129.5510	0.000	1	130.4783	0.948	15	132.1325	8.167	111	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(CF3)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(CF3){4|C<3>}	131.7810	0.000	1	131.7810	0.000	1	130.4783	0.948	15	132.1325	8.167	111	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(CHHN)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(CHHN){4|C<3>}	130.8970	0.000	1	130.8970	0.000	1	130.4783	0.948	15	132.1325	8.167	111	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(CC[6a]HN)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(CC[6a]HN){2|C<3>}	130.6540	0.000	1	130.6540	0.000	1	130.4783	0.948	15	132.1325	8.167	111	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(CC[6a]HO)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(CC[6a]HO){2|C<3>}	131.3120	0.878	2	131.3120	0.771	2	130.4783	0.948	15	132.1325	8.167	111	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:P-4:	C[5a](C[5a]N[5a]P)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(PC[6a]2Cu)	C[5a](C[5a]N[5a]P)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,1|P<4>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(PC[6a]2Cu){4|C<3>}	133.9710	0.925	3	133.9710	0.855	3	133.7044	0.596	9	132.1325	8.167	111	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:P-4:	C[5a](C[5a]N[5a]P)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(PC[6a]2Mo)	C[5a](C[5a]N[5a]P)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,1|P<4>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(PC[6a]2Mo){4|C<3>}	133.0520	0.000	1	133.0520	0.000	1	133.7044	0.596	9	132.1325	8.167	111	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:P-4:	C[5a](C[5a]N[5a]P)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(PC[6a]2Pd)	C[5a](C[5a]N[5a]P)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,1|P<4>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(PC[6a]2Pd){4|C<3>}	134.3410	0.000	1	134.3410	0.000	1	133.7044	0.596	9	132.1325	8.167	111	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:P-4:	C[5a](C[5a]N[5a]P)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(PC[6a]2Pt)	C[5a](C[5a]N[5a]P)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,1|P<4>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(PC[6a]2Pt){4|C<3>}	134.4220	0.000	1	134.4220	0.000	1	133.7044	0.596	9	132.1325	8.167	111	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:P-4:	C[5a](C[5a]N[5a]P)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(PC[6a]2Ru)	C[5a](C[5a]N[5a]P)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,1|P<4>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(PC[6a]2Ru){4|C<3>}	133.5560	0.074	2	133.5560	0.005	2	133.7044	0.596	9	132.1325	8.167	111	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:P-4:	C[5a](C[5a]N[5a]P)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(PC[6a]2W)	C[5a](C[5a]N[5a]P)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,1|P<4>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(PC[6a]2W){4|C<3>}	132.5000	0.000	1	132.5000	0.000	1	133.7044	0.596	9	132.1325	8.167	111	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]Br)(CCHH)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]Br)(CCHH){3|C<3>}	134.9420	0.000	1	134.9420	0.000	1	135.2706	1.502	34	132.1325	8.167	111	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(CCHH)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(CCHH){5|C<3>}	135.9320	0.000	1	135.9320	0.000	1	135.2706	1.502	34	132.1325	8.167	111	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(CH3)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(CH3){5|C<3>}	133.8082	0.525	4	133.8082	0.275	4	135.2706	1.502	34	132.1325	8.167	111	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,1|I<1>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CCHH){1|I<1>,2|C<3>}	133.2240	0.000	1	135.1567	2.829	3	135.2706	1.502	34	132.1325	8.167	111	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CCHH){1|H<1>,2|C<3>}	136.2900	0.000	1	135.1567	2.829	3	135.2706	1.502	34	132.1325	8.167	111	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CCHH){1|C<4>,2|C<3>}	135.9560	0.000	1	135.1567	2.829	3	135.2706	1.502	34	132.1325	8.167	111	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CC[6a]HH)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CC[6a]HH){1|N<3>,2|C<3>}	135.4665	1.081	6	135.4665	1.168	6	135.2706	1.502	34	132.1325	8.167	111	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CC[6a]HN)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CC[6a]HN){3|C<3>}	135.4243	0.563	3	135.4243	0.317	3	135.2706	1.502	34	132.1325	8.167	111	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CH3){1|N<3>,2|C<3>}	134.2670	0.000	1	135.5503	1.250	6	135.2706	1.502	34	132.1325	8.167	111	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CH3){3|C<3>}	136.6870	0.000	1	135.5503	1.250	6	135.2706	1.502	34	132.1325	8.167	111	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CH3){1|C<4>,2|C<3>}	134.0480	0.000	1	135.5503	1.250	6	135.2706	1.502	34	132.1325	8.167	111	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|C<4>,2|O<2>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CH3){3|C<3>}	136.3290	0.000	1	135.5503	1.250	6	135.2706	1.502	34	132.1325	8.167	111	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CH3){1|O<2>,2|C<3>}	135.9855	0.267	2	135.5503	1.250	6	135.2706	1.502	34	132.1325	8.167	111	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CHHN)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CHHN){3|C<3>}	136.1353	2.032	3	136.2805	2.838	4	135.2706	1.502	34	132.1325	8.167	111	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CHHN)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CHHN){1|C<4>,2|C<3>}	136.7160	0.000	1	136.2805	2.838	4	135.2706	1.502	34	132.1325	8.167	111	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CHHO)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CHHO){1|C<4>,2|C<3>}	134.6180	1.810	2	134.6180	3.277	2	135.2706	1.502	34	132.1325	8.167	111	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(CH3){1|N<3>,2|C<3>}	136.4560	0.000	1	135.9970	0.421	2	135.2706	1.502	34	132.1325	8.167	111	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(CH3){3|C<3>}	135.5380	0.000	1	135.9970	0.421	2	135.2706	1.502	34	132.1325	8.167	111	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]N[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])(CFFH)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])(CFFH){4|C<3>}	134.4490	0.940	2	134.4490	0.884	2	135.2706	1.502	34	132.1325	8.167	111	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(SC[6a]OO)	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|S<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(SC[6a]OO){1|C<4>,4|C<3>}	136.6270	0.000	1	136.6270	0.000	1	136.4880	0.033	3	132.1325	8.167	111	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|S<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,2|C<3>}	136.5530	0.000	1	136.5530	0.000	1	136.4880	0.033	3	132.1325	8.167	111	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(O[5a]N[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(O[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|N<2>,1|S<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C)(SC[6a]OO){2|C<3>}	136.2840	0.000	1	136.2840	0.000	1	136.4880	0.033	3	132.1325	8.167	111	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a,6a]H)(C[6a]N[6a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(S[5a]C[5a]){1|Br<1>,1|C<3>,1|N<2>,3|H<1>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a,6a]H)(C[6a]N[6a]H){1|C<4>,4|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(CH3){1|Br<1>,2|C<3>}	128.5410	1.172	2	129.9850	3.339	4	130.2006	1.191	13	132.1325	8.167	111	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a,6a]H)(C[6a]N[6a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(S[5a]C[5a]){1|C<3>,1|N<2>,4|H<1>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a,6a]H)(C[6a]N[6a]H){1|C<4>,4|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(CH3){1|H<1>,2|C<3>}	131.4290	0.549	2	129.9850	3.339	4	130.2006	1.191	13	132.1325	8.167	111	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a])(CH3)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a])(CH3){1|C<4>,4|C<3>}	129.8405	0.510	2	129.8405	0.260	2	130.2006	1.191	13	132.1325	8.167	111	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]2)(CH3)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]2)(CH3){1|C<4>,1|S<2>,3|C<3>}	130.1110	0.212	2	130.1110	0.045	2	130.2006	1.191	13	132.1325	8.167	111	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(CH3){3|C<3>}	129.9390	0.000	1	130.6947	0.829	4	130.2006	1.191	13	132.1325	8.167	111	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(CH3){3|C<3>}	131.7900	0.000	1	130.6947	0.829	4	130.2006	1.191	13	132.1325	8.167	111	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(CH3){3|C<3>}	131.0990	0.000	1	130.6947	0.829	4	130.2006	1.191	13	132.1325	8.167	111	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{1|C<4>,2|O<2>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(CH3){3|C<3>}	129.9510	0.000	1	130.6947	0.829	4	130.2006	1.191	13	132.1325	8.167	111	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(CH3)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(CH3){2|C<4>,3|C<3>}	129.9860	0.000	1	129.9860	0.000	1	130.2006	1.191	13	132.1325	8.167	111	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C)(S[5a]C[5a,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(CC[6a]HH)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C)(S[5a]C[5a,6a]){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<2>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(CC[6a]HH){1|H<1>,4|C<3>}	127.9260	0.000	1	127.9260	0.000	1	127.9260	0.000	1	132.1325	8.167	111	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)(S[5a]C[5a])	C[6a](C[6a,6a]C[3x6a]N[6a])(C[5a]C[5a]S[5a])(C[6a]C[6a,6a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(CCHH)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)(S[5a]C[5a]){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a,6a]C[3x6a]N[6a])(C[5a]C[5a]S[5a])(C[6a]C[6a,6a]H){1|C<4>,6|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(CCHH){1|H<1>,2|C<3>}	130.2862	2.921	6	130.2862	8.531	6	130.1226	6.668	8	132.1325	8.167	111	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)(S[5a]C[5a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(CH3)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)(S[5a]C[5a]){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(CH3){1|H<1>,2|C<3>}	129.6320	1.838	2	129.6320	3.380	2	130.1226	6.668	8	132.1325	8.167	111	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:6:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:S-6:	C[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(SC[6a]F4)	C[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,1|S<6>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(SC[6a]F4){2|C<3>}	132.7430	0.000	1	132.7430	0.000	1	132.7430	0.000	1	132.7430	0.000	1	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:4:2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5]-4:N[5a]-2:	C[5a](C[5a]N[5a]C[5])(C[6a]C[6a]2)(N[5a]S[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5]C[6a]O[5]2)(N[5a]S[5a])	C[5a](C[5a]N[5a]C[5])(C[6a]C[6a]2)(N[5a]S[5a]){2|H<1>,2|O<2>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<2>,1|S<2>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5]C[6a]O[5]2)(N[5a]S[5a]){6|C<3>}	127.0740	1.814	2	127.0740	3.292	2	127.0740	3.292	2	127.0740	3.292	2	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:4:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C-4:C[5a]-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(CC[6a]C[5]H)(C[5a]N[5a]C)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(CC[6a]C[5]H)(C[5a]N[5a]C){1|H<1>,2|C<3>}	128.4340	0.000	1	128.4340	0.000	1	128.4340	0.000	1	130.0994	9.056	8	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:4:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5]-4:C[5a]-3:	C[5a](C[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5]C[5]N[5]H)(C[5a]N[5a]H)	C[5a](C[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5]C[5]N[5]H)(C[5a]N[5a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	127.6320	0.000	1	129.0658	2.593	4	129.0658	2.593	4	130.0994	9.056	8	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:4:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5]-4:C[5a]-3:	C[5a](C[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5]C[5]N[5]H)(C[5a]N[5a]H)	C[5a](C[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5]C[5]N[5]H)(C[5a]N[5a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	130.8420	0.000	1	129.0658	2.593	4	129.0658	2.593	4	130.0994	9.056	8	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:4:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5]-4:C[5a]-3:	C[5a](C[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5]C[5]N[5]H)(C[5a]N[5a]H)	C[5a](C[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5]C[5]N[5]H)(C[5a]N[5a]H){1|N<2>,2|H<1>,5|C<3>}	128.8945	1.585	2	129.0658	2.593	4	129.0658	2.593	4	130.0994	9.056	8	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:4:3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6]-4:C[5a]-3:	C[5a](C[5a]C[5a]C[6])(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]O[5a])(C[6]C[6]N[6]H)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C[6])(C[6a]C[6a]2)(O[5a]C[5a]){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[6]C[6]N[6]H)(C[5a]C[5a]C){2|H<1>,3|C<3>,3|C<4>}	136.9580	0.000	1	136.9580	0.000	1	136.9580	0.000	1	130.0994	9.056	8	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:4:3:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5]-4:C[5a]-3:	C[5a](C[5a]C[5a]C[5])(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]S[5a])(C[5]C[5]2Fe)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C[5])(C[6a]C[6a]2)(S[5a]C[5a]){1|Fe<10>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5]C[5]2Fe)(C[5a]C[5a]H){1|H<1>,2|C<4>,4|C<3>}	129.5700	0.983	2	129.5700	0.966	2	129.5700	0.966	2	130.0994	9.056	8	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	4:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5]C[5,5]C[5,6]H)(C[5a]C[6a]N[5a])(C[5a]N[5a]H)	C[5a](C[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]N[5a]){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5]C[5,5]C[5,6]H)(C[5a]C[6a]N[5a])(C[5a]N[5a]H){1|H<1>,1|N<3>,3|C<4>,4|C<3>}	129.5820	1.123	3	129.5820	1.262	3	129.8975	1.148	10	129.8975	1.148	10	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	4:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5]C[5,5]N[5,5]H)(C[5a]C[6a]N[5a])(C[5a]N[5a]H)	C[5a](C[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5]C[5,5]N[5,5]H)(C[5a]C[6a]N[5a])(C[5a]N[5a]H){1|H<1>,3|C<4>,4|C<3>}	129.7320	1.160	2	129.7320	1.345	2	129.8975	1.148	10	129.8975	1.148	10	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	4:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5]C[5,5]N[5]H)(C[5a]C[6a]N[5a])(C[5a]N[5a]H)	C[5a](C[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5]C[5,5]N[5]H)(C[5a]C[6a]N[5a])(C[5a]N[5a]H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	129.7560	0.000	1	130.3470	2.750	3	129.8975	1.148	10	129.8975	1.148	10	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	4:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5]C[5,5]N[5]H)(C[5a]C[6a]N[5a])(C[5a]N[5a]H)	C[5a](C[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5]C[5,5]N[5]H)(C[5a]C[6a]N[5a])(C[5a]N[5a]H){1|H<1>,3|C<4>,4|C<3>}	130.6425	2.231	2	130.3470	2.750	3	129.8975	1.148	10	129.8975	1.148	10	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	4:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5]C[5,6a]C[5]N)(C[5a]C[6a]N[5a])(C[5a]O[5a]N)	C[5a](C[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]O[5a]){2|H<1>,2|N<3>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5]C[5,6a]C[5]N)(C[5a]C[6a]N[5a])(C[5a]O[5a]N){1|N<3>,1|O<1>,4|C<3>}	129.8620	0.000	2	129.8620	0.000	2	129.8975	1.148	10	129.8975	1.148	10	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	2:3:3:	3:2:1:	C[5a]-3:C[5a]-3:C[6a]-3:	N[6a]-2:C[5a]-3:N[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]N[6a]2)	C[6a](N[6a]N[5a,6a])(C[5a]C[5a]2)(N[6a]C[6a]H)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]N[6a]2){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](N[6a]N[5a,6a])(C[5a]C[5a]2)(N[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	128.9380	0.000	1	128.0330	1.638	2	128.0330	1.638	2	128.0330	1.638	2	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	2:3:3:	3:2:1:	C[5a]-3:C[5a]-3:C[6a]-3:	N[6a]-2:C[5a]-3:N[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]N[6a]2)	C[6a](N[6a]N[5a,6a])(C[5a]C[5a]2)(N[6a]C[6a]H)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]N[6a]2){1|H<1>,1|N<3>,4|C<3>}	C[6a](N[6a]N[5a,6a])(C[5a]C[5a]2)(N[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(H){1|N<2>,1|N<3>,2|C<3>}	127.1280	0.000	1	128.0330	1.638	2	128.0330	1.638	2	128.0330	1.638	2	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	2:3:3:	3:2:4:	C[6a]-3:C[5a]-3:C[5a]-3:	N[6a]-2:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]C)(C[5a]N[5a]O)	C[6a](N[6a]C[6a,6a])(C[5a]C[5a]2)(C[6a]N[6a]O)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CH3)	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]C)(C[5a]N[5a]O){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a,6a])(C[5a]C[5a]2)(C[6a]N[6a]O){1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CH3){1|C<3>,1|C<4>,1|N<2>,1|O<2>}	125.2870	0.373	2	125.2870	0.139	2	125.2870	0.139	2	125.2870	0.139	2	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	2:3:3:	3:3:1:	C[6a]-3:C[5a]-3:C[5a]-3:	N[6a]-2:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H)(C[5a]N[5a,6a]C)	C[6a](N[6a]C[6a,6a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H)(C[5a]N[5a,6a]C){1|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|H<1>,1|N<2>,4|C<3>}	126.6770	0.000	1	126.6770	0.000	1	126.6770	0.000	1	126.6770	0.000	1	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	2:3:3:	3:3:2:	C[6a]-3:C[5a]-3:C[5a]-3:	N[6a]-2:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:O-2:	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]C)(C[5a]N[5a]O)	C[6a](N[6a]C[6a,6a])(C[5a]C[5a]2)(C[6a]N[6a]O)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)(OH)	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]C)(C[5a]N[5a]O){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a,6a])(C[5a]C[5a]2)(C[6a]N[6a]O){1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)(OH){1|C<3>,1|C<4>,1|N<2>}	131.6740	0.520	2	131.6740	0.271	2	131.6740	0.271	2	131.6740	0.271	2	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	2:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[6a]-2:C[5a]-3:N[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]N[6a]2)	C[6a](N[6a]N[5a,6a])(C[5a]C[5a]2)(N[6a]C[6a]H)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]N[6a]2){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](N[6a]N[5a,6a])(C[5a]C[5a]2)(N[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]C){1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	126.3880	0.000	1	126.3880	0.000	1	126.3880	0.000	1	126.5057	1.805	3	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	2:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[6a]-2:C[5a]-3:N[6a]-3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]N[6a]2)	C[6a](N[6a]N[5a,6a])(C[5a]C[5a]2)(N[6a]C[6a]H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]N[6a]2){1|H<1>,1|N<3>,4|C<3>}	C[6a](N[6a]N[5a,6a])(C[5a]C[5a]2)(N[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<2>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	127.9040	0.000	1	127.9040	0.000	1	127.9040	0.000	1	126.5057	1.805	3	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	2:3:3:	3:3:3:	C[6a]-3:C[5a]-3:C[5a]-3:	N[6a]-2:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H)(C[5a]N[5a,6a]C)	C[6a](N[6a]C[6a,6a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CC[6a]O)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H)(C[5a]N[5a,6a]C){1|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CC[6a]O){1|H<1>,1|N<2>,4|C<3>}	125.2250	0.000	1	125.2250	0.000	1	125.2250	0.000	1	126.5057	1.805	3	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:2:2:	3:2:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[6a]-2:N[6a]-2:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(C[6a]N[6a]2)	C[6a](C[5a]C[5a]2)(N[6a]C[6a])2	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(C[6a]N[6a]2){1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]2)(N[6a]C[6a])2{1|N<2>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(H){2|H<1>,2|N<2>}	124.1725	0.241	2	124.1725	0.058	2	124.1725	0.058	2	124.1725	0.058	2	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:2:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:N[6a]-2:O[6a]-2:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]O[6a])(C[5a]N[5a]H)	C[6a](C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(O[6a]C[6a])	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]O[6a])(C[5a]N[5a]H){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(O[6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(H){1|N<2>,1|O<2>,2|C<3>}	126.2440	0.000	1	126.2440	0.000	1	126.2440	0.000	1	125.7057	2.563	4	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:2:2:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[6a]-2:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(C[6a]N[6a]2)	C[6a](C[5a]C[5a]2)(N[6a]C[6a])2	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(C[6a]N[6a]2){1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]2)(N[6a]C[6a])2{1|N<2>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]H)(H){1|H<1>,2|N<2>}	124.4275	0.241	2	124.4275	0.058	2	124.4275	0.058	2	125.7057	2.563	4	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:2:2:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[6a]-2:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a])2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)(H)	C[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a])2{1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|N<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)(H){1|C<4>,1|H<1>,2|N<2>}	127.7240	0.000	1	127.7240	0.000	1	127.7240	0.000	1	125.7057	2.563	4	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:2:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[6a]-2:N[6a]-2:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(C[6a]N[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a])2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(NC[6a]H)	C[5a](C[5a]C[5a]N)(C[6a]N[6a]2)(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a])2{1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|F<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(NC[6a]H){2|H<1>,2|N<2>}	131.1650	0.000	1	131.1650	0.000	1	131.1650	0.000	1	131.1650	0.000	1	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:2:3:	3:2:1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a]-3:N[6a]-2:C[5a]-3:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(C[5a]S[5a]H)	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(C[5a]S[5a]H){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(C[5a]C[5a]2){1|S<2>,2|H<1>,5|C<3>}	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(H){1|C<3>,1|N<2>,2|H<1>}	125.6420	3.029	2	125.6420	9.176	2	125.6420	9.176	2	125.6420	9.176	2	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:2:3:	3:2:4:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a]-3:N[6a]-2:C[5a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(C[5a]O[5a]C)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CH3)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(C[5a]O[5a]C){1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[5a]C[5a]2){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CH3){1|H<1>,1|N<2>,2|C<3>}	124.9600	0.000	1	124.9600	0.000	1	124.9600	0.000	1	125.3115	0.247	2	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:2:3:	3:2:4:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a]-3:N[6a]-2:C[5a]-3:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CH3)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,1|N<3>,2|C<3>}	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(C[5a]C[5a]2){1|C<4>,1|S<2>,2|H<1>,5|C<3>}	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	125.6630	0.000	1	125.6630	0.000	1	125.6630	0.000	1	125.3115	0.247	2	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:2:3:	3:3:1:	C[5a,6]-3:C[6a]-3:C[5a]-3:	C[5a]-3:N[6a]-2:C[6a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[6a]C[6a]N[6a])(C[5a]C[5a,5a]H)	C[6a](C[5a]C[5a,6]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[5a](C[5a,5a]N[5a,5a,6]C[5a,6a])(C[5a]C[5a,6]C[6a])(H)	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[6a]C[6a]N[6a])(C[5a]C[5a,5a]H){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a,5a]N[5a,5a,6]C[5a,6a])(C[5a]C[5a,6]C[6a])(H){1|N<2>,5|C<3>}	126.9130	0.000	1	126.9130	0.000	1	126.9130	0.000	1	127.0499	5.942	19	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:2:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:N[6a]-2:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H)	C[6a](C[5a]C[5a,6a]C[5a])(N[6a]C[5a,6a])(C[6a]C[6a]C)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H){1|C<2>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(N[6a]C[5a,6a])(C[6a]C[6a]C){1|H<1>,2|N<3>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(H){1|N<2>,3|C<3>}	128.0570	0.685	4	128.0570	0.469	4	127.8175	1.250	10	127.0499	5.942	19	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:2:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:N[6a]-2:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H)	C[6a](C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(H){1|N<2>,3|C<3>}	126.2010	0.000	1	126.2010	0.000	1	127.8175	1.250	10	127.0499	5.942	19	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:2:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:N[6a]-2:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H)	C[6a](C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H){1|N<2>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(H){2|C<3>,2|N<2>}	125.6460	0.000	1	125.6460	0.000	1	127.8175	1.250	10	127.0499	5.942	19	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:2:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:N[6a]-2:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H)	C[6a](C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]N[6a]C)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H){1|C<2>,1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]N[6a]C){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(H){1|N<2>,3|C<3>}	128.3555	0.224	2	128.5493	0.138	3	127.8175	1.250	10	127.0499	5.942	19	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:2:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:N[6a]-2:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H)	C[6a](C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]N[6a]C)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]N[6a]C){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(H){1|N<2>,3|C<3>}	128.9370	0.000	1	128.5493	0.138	3	127.8175	1.250	10	127.0499	5.942	19	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:2:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:N[6a]-2:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H)	C[6a](C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]N[6a]O)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]N[6a]O){1|H<1>,1|N<3>,5|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(H){1|N<2>,3|C<3>}	128.4520	0.000	1	128.4520	0.000	1	127.8175	1.250	10	127.0499	5.942	19	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:2:3:	3:3:1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6,6a]-3:N[6a]-2:C[5a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[6a]C[6,6a]N[6a])(C[5a]C[6a]N[5a])(C[5a]N[5a]H)	C[6a](C[6,6a]C[6,6a]2)(N[6a]C[6,6a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(H)	C[5a](C[6a]C[6,6a]N[6a])(C[5a]C[6a]N[5a])(C[5a]N[5a]H){6|C<3>}	C[6a](C[6,6a]C[6,6a]2)(N[6a]C[6,6a])(C[5a]C[5a]2){1|H<1>,1|N<2>,1|N<3>,2|C<4>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(H){1|N<2>,4|C<3>}	126.0330	0.000	1	126.0330	0.000	1	126.0330	0.000	1	127.0499	5.942	19	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:2:3:	3:3:1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a]-3:N[6a]-2:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(C[5a]O[5a]C)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(C[5a]O[5a]C){1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[5a]C[5a]2){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(H){1|C<4>,1|N<2>,3|C<3>}	128.3820	0.000	1	128.3820	0.000	1	123.8940	11.666	4	127.0499	5.942	19	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:2:3:	3:3:1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a]-3:N[6a]-2:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,1|N<3>,2|C<3>}	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(C[5a]C[5a]2){1|C<4>,1|S<2>,2|H<1>,5|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)(H){1|C<3>,1|C<4>,1|N<2>}	121.4840	0.000	1	121.4840	0.000	1	123.8940	11.666	4	127.0499	5.942	19	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:2:3:	3:3:1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a]-3:N[6a]-2:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(C[5a]S[5a]H)	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(C[5a]S[5a]H){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(C[5a]C[5a]2){1|S<2>,2|H<1>,5|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	122.8550	2.625	2	122.8550	6.889	2	123.8940	11.666	4	127.0499	5.942	19	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:2:3:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:N[6a]-2:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6,6a])(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	128.7365	0.889	2	128.7365	0.790	2	128.7365	0.790	2	127.0499	5.942	19	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:2:3:	3:3:1:	C[6a]-3:N[5a]-3:C[5a]-3:	C[5a]-3:N[6a]-2:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a,6a])(C[6a]N[6a]C)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<2>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a,6a])(C[6a]N[6a]C){1|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,1|N<2>,2|C<3>}	129.7780	0.000	1	129.7780	0.000	1	129.7780	0.000	1	127.0499	5.942	19	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:2:3:	3:3:2:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6,6a]-3:N[6a]-2:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[6a]C[6,6a]N[6a])(C[5a]C[6a]N[5a])(C[5a]N[5a]H)	C[6a](C[6,6a]C[6,6a]2)(N[6a]C[6,6a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[6a]C[6,6a]N[6a])(C[5a]C[6a]N[5a])(C[5a]N[5a]H){6|C<3>}	C[6a](C[6,6a]C[6,6a]2)(N[6a]C[6,6a])(C[5a]C[5a]2){1|H<1>,1|N<2>,1|N<3>,2|C<4>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,3|H<1>,4|C<3>}	129.3200	0.000	1	129.3200	0.000	1	129.3200	0.000	1	129.3200	0.000	1	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:2:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[6a]-2:C[6a]-3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a])	C[6a](C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]N[6a]O)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a]){1|N<2>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]N[6a]O){1|N<3>,5|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|H<1>,1|N<2>,1|O<2>,5|C<3>}	125.2810	0.000	1	125.2810	0.000	1	125.2810	0.000	1	127.1737	2.687	3	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:2:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:N[6a]-2:N[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]N[6a]2)	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a,6a])(N[6a]C[6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]N[6a]2){1|C<4>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a,6a])(N[6a]C[6a]C){1|C<4>,1|O<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	128.1200	0.024	2	128.1200	0.001	2	128.1200	0.001	2	127.1737	2.687	3	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:2:3:	3:3:4:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:N[6a]-2:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6,6a])(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH){1|H<1>,1|N<2>,2|C<3>}	135.0660	0.000	1	135.0660	0.000	1	132.1930	6.646	3	132.1930	6.646	3	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:2:3:	3:3:4:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:N[6a]-2:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH){1|H<1>,1|N<2>,2|C<3>}	130.7565	0.954	2	130.7565	0.910	2	132.1930	6.646	3	132.1930	6.646	3	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:2:1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(C[5a]N[5a]N)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(C[5a]N[5a]N){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|H<1>,2|N<2>,2|N<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	129.3483	0.508	4	129.3483	0.258	4	129.3483	0.258	4	128.9257	3.101	15	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:2:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]N[5a]C){1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|N<2>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H){1|C<3>,1|C<4>,1|N<2>}	130.2060	1.447	6	130.2060	2.093	6	130.2060	2.093	6	128.9257	3.101	15	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:2:1:	C[6a]-3:N[5a,6]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[6a]C[6a]N[6a])(N[5a,6]C[5a,6]2)(C[5a]N[5a]H)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])(H)	C[5a](C[6a]C[6a]N[6a])(N[5a,6]C[5a,6]2)(C[5a]N[5a]H){1|H<1>,1|N<2>,2|C<3>,2|N<3>}	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,3|C<3>,3|H<1>}	C[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])(H){1|N<2>,1|N<3>,2|C<3>}	126.7278	0.808	4	126.7278	0.653	4	126.7278	0.653	4	128.9257	3.101	15	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:2:1:	C[6a]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:O[5a]-2:O-1:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[6a]N[5a])(C[5a]O[5a]O)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[6a]N[5a])(O[5a]N[5a])(O)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[6a]N[5a])(C[5a]O[5a]O){1|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(O[5a]N[5a])(O){1|N<2>,2|C<3>}	128.3460	0.000	1	128.3460	0.000	1	128.3460	0.000	1	128.9257	3.101	15	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a]-3:N[6a]-2:	C[5a]-3:O[5a]-2:N-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[5a]O[5a]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6a]C[6a])	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(NHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[5a]O[5a]N){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6a]C[6a]){1|N<3>,1|O<2>,2|H<1>,2|N<2>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(NHH){1|N<2>,3|C<3>}	122.8450	0.000	1	122.8450	0.000	1	122.8450	0.000	1	128.1867	30.422	4	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:2:3:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:S[5a]-2:N-3:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(C[5a]S[5a]N)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(NC[6a]C)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(C[5a]S[5a]N){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(NC[6a]C){1|N<2>,3|C<3>}	124.2040	0.000	1	124.2040	0.000	1	124.2040	0.000	1	128.1867	30.422	4	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:2:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a])	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a]){1|H<1>,6|C<3>}	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,2|N<2>,3|C<3>}	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,2|N<2>,4|C<3>}	132.8490	1.843	2	132.8490	3.396	2	132.8490	3.396	2	128.1867	30.422	4	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]C)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(CCCH)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]C){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(CCCH){1|N<2>,3|C<3>}	128.2690	0.000	1	128.2690	0.000	1	129.3395	2.292	2	129.3395	2.292	2	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]C)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]N[6a])	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(CCCH)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]C){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]N[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|C<4>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(CCCH){1|N<2>,3|C<3>}	130.4100	0.000	1	130.4100	0.000	1	129.3395	2.292	2	129.3395	2.292	2	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6]-3:C[6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[6a]C[6a]N[6a])(C[5a]C[5a,5a]H)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a,5a]N[5a,5a,6]C[5a,6a])(C[5a]C[5a,6]C[6a])(H)	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[6a]C[6a]N[6a])(C[5a]C[5a,5a]H){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a,5a]N[5a,5a,6]C[5a,6a])(C[5a]C[5a,6]C[6a])(H){1|N<2>,5|C<3>}	126.2920	0.000	1	126.2920	0.000	1	126.2920	0.000	1	129.1023	22.868	114	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a]){1|N<3>,2|H<1>,6|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(H){1|N<2>,3|C<3>}	126.7490	0.000	1	126.7490	0.000	1	126.7490	0.000	1	129.1023	22.868	114	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a,6a]C[6a])(N[6a]C[6a])	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|N<3>,2|H<1>,6|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(H){1|N<2>,3|C<3>}	128.0400	0.000	1	128.0400	0.000	1	127.8572	0.725	13	129.1023	22.868	114	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(N[6a]C[6a])	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H){1|C<2>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(N[6a]C[6a]){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(H){1|N<2>,3|C<3>}	128.0500	0.000	1	128.0337	0.670	10	127.8572	0.725	13	129.1023	22.868	114	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(N[6a]C[6a])	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H){1|C<2>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(N[6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(H){1|N<2>,3|C<3>}	127.9735	0.909	8	128.0337	0.670	10	127.8572	0.725	13	129.1023	22.868	114	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(N[6a]C[6a])	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H){1|C<2>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(H){1|N<2>,3|C<3>}	128.4990	0.000	1	128.0337	0.670	10	127.8572	0.725	13	129.1023	22.868	114	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]N[6a]O)(N[6a]C[6a])	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]N[6a]O)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(H){1|N<2>,3|C<3>}	127.3480	0.000	1	127.3480	0.000	1	127.8572	0.725	13	129.1023	22.868	114	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]N[6a]O)(N[6a]C[6a])	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H){1|H<1>,1|N<3>,1|O<1>,1|S<4>,3|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]N[6a]O)(N[6a]C[6a]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(H){1|N<2>,3|C<3>}	126.4180	0.000	1	126.4180	0.000	1	127.8572	0.725	13	129.1023	22.868	114	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a]-3:N[6a]-2:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[5a]N[5a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[5a]N[5a]H){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a]){1|N<3>,2|H<1>,6|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(H){1|N<2>,3|C<3>}	128.8360	0.000	1	128.8360	0.000	1	128.8360	0.000	1	129.1023	22.868	114	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H){3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|N<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H){1|H<1>,1|N<2>,2|C<3>}	122.6010	0.000	1	122.6010	0.000	1	122.6010	0.000	1	129.1023	22.868	114	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(C[5a]N[5a]C)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(C[5a]N[5a]C){1|Ni<4>,1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(H){1|Ni<4>,1|N<2>,2|C<3>}	123.3000	1.575	2	123.3000	2.482	2	123.3000	2.482	2	129.1023	22.868	114	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){1|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	127.1370	0.124	2	127.1370	0.015	2	129.3812	4.675	5	129.1023	22.868	114	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6,6a]H)(N[6a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H){1|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6,6a]H)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|N<2>,2|H<1>,3|C<3>}	131.2340	1.065	2	131.2340	1.134	2	129.3812	4.675	5	129.1023	22.868	114	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){2|C<3>,2|H<1>,2|N<2>}	130.1640	0.000	1	130.1640	0.000	1	129.3812	4.675	5	129.1023	22.868	114	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	127.7805	0.276	2	127.7805	0.076	2	132.0214	7.925	57	129.1023	22.868	114	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a])	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a]){1|N<3>,2|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,1|N<2>,2|C<3>}	135.0978	1.791	5	134.1818	4.697	9	132.0214	7.925	57	129.1023	22.868	114	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a])	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a]){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|N<2>,2|H<1>}	132.3100	0.000	1	134.1818	4.697	9	132.0214	7.925	57	129.1023	22.868	114	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a])	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a]){1|N<3>,2|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|N<2>,2|H<1>}	133.2790	2.702	3	134.1818	4.697	9	132.0214	7.925	57	129.1023	22.868	114	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a])	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a]){1|C<2>,1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|N<2>,2|H<1>}	134.4168	1.223	4	134.4168	1.495	4	132.0214	7.925	57	129.1023	22.868	114	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|N<2>,2|H<1>}	130.7000	4.286	6	131.6338	5.259	22	132.0214	7.925	57	129.1023	22.868	114	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|N<2>,2|H<1>}	131.2630	1.536	2	131.6338	5.259	22	132.0214	7.925	57	129.1023	22.868	114	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,4|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|N<2>,2|H<1>}	131.8550	0.000	1	131.6338	5.259	22	132.0214	7.925	57	129.1023	22.868	114	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,1|N<2>,2|C<3>}	131.0460	0.344	2	131.6338	5.259	22	132.0214	7.925	57	129.1023	22.868	114	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,4|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,1|N<2>,2|C<3>}	132.1186	0.885	5	131.6338	5.259	22	132.0214	7.925	57	129.1023	22.868	114	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,1|N<2>,2|C<3>}	132.4462	0.565	6	131.6338	5.259	22	132.0214	7.925	57	129.1023	22.868	114	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]N[6a]C[5])(N[6a]C[6a,6a])	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]N[6a]C[5])(N[6a]C[6a,6a]){1|N<2>,2|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,1|N<2>,2|C<3>}	124.7553	0.192	3	124.7553	0.037	3	132.0214	7.925	57	129.1023	22.868	114	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,4|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){1|C<3>,1|H<1>,1|N<2>}	131.0660	0.000	1	131.6238	0.687	6	132.0214	7.925	57	129.1023	22.868	114	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){1|C<3>,1|H<1>,1|N<2>}	132.1205	0.694	2	131.6238	0.687	6	132.0214	7.925	57	129.1023	22.868	114	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]H){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,4|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){1|C<3>,1|H<1>,1|N<2>}	131.4787	1.021	3	131.6238	0.687	6	132.0214	7.925	57	129.1023	22.868	114	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[6a]N[5a])2(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]H){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,4|H<1>}	C[5a](C[5a]C[6a]N[5a])2(H){1|H<1>,1|N<2>,3|C<3>}	133.8317	1.333	3	133.1274	1.069	11	132.0214	7.925	57	129.1023	22.868	114	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[6a]N[5a])2(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]H){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,4|H<1>}	C[5a](C[5a]C[6a]N[5a])2(H){1|H<1>,2|C<3>,2|N<2>}	131.3330	0.000	1	133.1274	1.069	11	132.0214	7.925	57	129.1023	22.868	114	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[6a]N[5a])2(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]H){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])2(H){1|H<1>,1|N<2>,3|C<3>}	133.0819	0.634	7	133.1274	1.069	11	132.0214	7.925	57	129.1023	22.868	114	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]Al)(C[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]Al)(C[5a]C[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Al<4>,2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|Al<4>,1|N<2>,2|C<3>}	131.4550	0.000	1	131.4550	0.000	1	124.6287	35.684	27	129.1023	22.868	114	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]Au)(C[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a])	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]Au)(C[5a]C[5a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a]){1|Au<4>,1|H<1>,1|N<3>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|Au<4>,1|N<2>,2|C<3>}	122.2549	0.758	8	122.2549	0.575	8	124.6287	35.684	27	129.1023	22.868	114	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]Cu)(C[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a])	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]Cu)(C[5a]C[5a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a]){1|Cu<4>,1|H<1>,1|N<3>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|Cu<4>,1|N<2>,2|C<3>}	121.5420	0.365	4	121.5420	0.133	4	124.6287	35.684	27	129.1023	22.868	114	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]Ga)(C[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]Ga)(C[5a]C[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Ga<3>,1|P<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|Ga<3>,1|N<2>,2|C<3>}	136.6450	0.129	2	137.8792	2.068	4	124.6287	35.684	27	129.1023	22.868	114	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]Ga)(C[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]Ga)(C[5a]C[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Ga<3>,1|P<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|Ga<3>,1|N<2>,2|C<3>}	139.1135	0.308	2	137.8792	2.068	4	124.6287	35.684	27	129.1023	22.868	114	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]Ni)(C[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a])	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]Ni)(C[5a]C[5a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a]){1|Ni<4>,1|H<1>,1|N<3>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|Ni<4>,1|N<2>,2|C<3>}	121.7797	0.657	10	121.7797	0.432	10	124.6287	35.684	27	129.1023	22.868	114	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]N)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]N)(H){1|N<2>,3|C<3>}	127.7510	0.408	4	127.7510	0.166	4	127.7510	0.166	4	129.1023	22.868	114	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	N[5a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H){1|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,1|N<2>,4|C<3>}	128.1665	1.842	2	128.1665	3.393	2	128.1665	3.393	2	129.1023	22.868	114	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a])(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a])(N[5a]C[5a]H){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|N<2>,2|H<1>,4|C<3>}	136.4295	1.737	2	136.4295	3.018	2	136.4295	3.018	2	133.8243	16.070	9	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:2:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:N[5a]-3:S-2:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(C[5a]N[5a]S)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(SC)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(C[5a]N[5a]S){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(SC){1|H<1>,1|N<2>,4|C<3>}	123.6310	0.000	1	123.6310	0.000	1	123.6310	0.000	1	133.8243	16.070	9	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:S-2:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]S)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]S)(SC)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]S)(N[5a]C[5a]H){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]S)(SC){1|H<1>,1|N<2>,2|C<3>}	135.2020	0.288	4	135.2020	0.083	4	135.2020	0.083	4	133.8243	16.070	9	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:Se-2:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]Se)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(SeC[5])	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]Se)(N[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Se<2>,1|N<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(SeC[5]){1|C<3>,1|H<1>,1|N<2>}	133.3560	0.000	1	133.3560	0.000	1	133.3560	0.000	1	133.8243	16.070	9	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[6]-3:N[5a]-2:	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]C[6])(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[6a]N[5a])(C[6]C[6]N[6])(N[5a]C[5a])	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]C[6])(N[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[6]C[6]N[6])(N[5a]C[5a]){1|N<2>,3|H<1>,4|C<3>}	133.7650	0.000	1	133.7650	0.000	1	133.7650	0.000	1	133.8243	16.070	9	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,5a]N[5a,5a,6]C[5a,6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a])(C[6a]C[6a]2)	C[5a](C[5a,5a]N[5a,5a,6]C[5a,6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,8|C<3>}	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a])(C[6a]C[6a]2){1|N<2>,3|H<1>,6|C<3>}	127.9530	0.000	1	127.9530	0.000	1	127.9530	0.000	1	129.4346	11.294	16	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H){3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|N<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|N<2>,3|C<3>,4|H<1>}	130.1790	0.000	1	130.1790	0.000	1	130.1790	0.000	1	129.4346	11.294	16	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	133.0420	0.000	1	135.0673	3.097	3	133.7675	8.823	4	129.4346	11.294	16	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]H){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<2>,3|H<1>,4|C<3>}	136.0800	0.202	2	135.0673	3.097	3	133.7675	8.823	4	129.4346	11.294	16	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[6a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[6a]N[5a]){1|C<4>,1|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){2|H<1>,2|N<2>,3|C<3>}	129.8680	0.000	1	129.8680	0.000	1	133.7675	8.823	4	129.4346	11.294	16	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(C[5a]N[5a]S)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(COO)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(C[5a]N[5a]S){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(COO){1|N<2>,1|S<2>,2|C<3>}	129.4260	0.000	1	129.4260	0.000	1	127.1335	10.511	2	129.4346	11.294	16	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(C[5a]S[5a]N)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)(COO)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(C[5a]S[5a]N){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)(COO){1|C<3>,1|N<2>,1|N<3>}	124.8410	0.000	1	124.8410	0.000	1	127.1335	10.511	2	129.4346	11.294	16	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(C[5a]N[5a]C)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Ni)(CC[5a]C[6a])	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(C[5a]N[5a]C){1|Ni<4>,1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Ni)(CC[5a]C[6a]){1|H<1>,1|N<2>,2|C<3>}	130.1815	1.532	2	130.1815	2.348	2	130.1815	2.348	2	129.4346	11.294	16	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:N[5a]-3:N-3:	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(C[5a]N[5a]N)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C[5])(NCH)	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(C[5a]N[5a]N){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|H<1>,2|N<2>,2|N<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C[5])(NCH){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	126.6047	0.417	3	126.6047	0.174	3	126.7495	0.200	4	129.4346	11.294	16	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:N[5a]-3:N-3:	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(C[5a]N[5a]N)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C[5])(NHH)	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(C[5a]N[5a]N){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|H<1>,2|N<2>,2|N<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C[5])(NHH){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	127.1840	0.000	1	127.1840	0.000	1	126.7495	0.200	4	129.4346	11.294	16	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C)	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CC[6a]O)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C){2|H<1>,5|C<3>}	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CC[6a]O){1|N<2>,3|C<3>}	129.9750	0.000	1	129.9750	0.000	1	128.0615	7.323	2	129.4346	11.294	16	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C)	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]O)(CC[6a]O)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]O)(CC[6a]O){1|N<2>,3|C<3>}	126.1480	0.000	1	126.1480	0.000	1	128.0615	7.323	2	129.4346	11.294	16	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]C)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(N[6a]C[6a])	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]C){1|C<2>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(CH3){1|N<2>,3|C<3>}	128.4170	0.000	1	128.4170	0.000	1	128.4170	0.000	1	133.0117	4.904	39	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:4:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH){1|H<1>,1|N<2>,2|C<3>}	132.9613	2.145	23	133.0336	4.317	25	133.2176	4.292	37	133.0117	4.904	39	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:4:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	133.8640	0.929	2	133.0336	4.317	25	133.2176	4.292	37	133.0117	4.904	39	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:4:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC3)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC3){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	136.1055	2.084	2	135.6573	2.050	4	133.2176	4.292	37	133.0117	4.904	39	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:4:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC3)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC3){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	135.2090	1.001	2	135.6573	2.050	4	133.2176	4.292	37	133.0117	4.904	39	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:4:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CF3)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CF3){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	133.4557	0.373	4	133.4557	0.139	4	133.2176	4.292	37	133.0117	4.904	39	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:4:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]N[6a])	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]N[6a]){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH){1|H<1>,1|N<2>,2|C<3>}	131.9453	2.163	3	131.9453	4.679	3	133.2176	4.292	37	133.0117	4.904	39	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:4:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[6a]N[5a])2(CH3)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]N[5a]H){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])2(CH3){1|H<1>,2|C<3>,2|N<2>}	130.9260	0.000	1	130.9260	0.000	1	133.2176	4.292	37	133.0117	4.904	39	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:4:	C[6a]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]Pt)(C[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CF3)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]Pt)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Pt<4>,1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CF3){1|Pt<4>,1|C<3>,1|C<4>,1|N<2>}	129.9860	0.000	1	129.9860	0.000	1	129.9860	0.000	1	133.0117	4.904	39	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5,5a]C[5,5a]S[5])(C[5a]S[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5,5a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5,5a]C[6a])(S[5a]C[5,5a])(H)	C[5a](C[5,5a]C[5,5a]S[5])(C[5a]S[5a]H)(C[6a]C[6a]2){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5,5a]C[5a])(C[6a]C[6a]H)2{2|C<3>,2|S<2>,3|H<1>}	C[5a](C[5a]C[5,5a]C[6a])(S[5a]C[5,5a])(H){2|C<3>,2|S<2>}	124.1410	0.000	1	124.1410	0.000	1	124.1410	0.000	1	126.6530	11.135	130	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]S[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(H)	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]S[5a]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2{1|S<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(H){1|N<3>,3|C<3>}	125.0110	0.000	1	125.0110	0.000	1	125.0110	0.000	1	126.6530	11.135	130	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6]C[6a])(O[5a]C[5a,6])(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]H)(C[6a]C[6a]2){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|O<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6]C[6a])(O[5a]C[5a,6])(H){4|C<3>}	123.1650	0.000	1	123.1650	0.000	1	123.1650	0.000	1	126.6530	11.135	130	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6]C[6a])(S[5a]C[5a,6])(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]H)(C[6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|C<4>,1|S<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6]C[6a])(S[5a]C[5a,6])(H){1|C<4>,3|C<3>}	122.9310	0.000	1	122.9310	0.000	1	122.9310	0.000	1	126.6530	11.135	130	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(H){4|C<3>}	126.3195	0.612	2	126.3195	0.374	2	126.3195	0.374	2	126.6530	11.135	130	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(C[6a]C[6a]2){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|O<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(H){4|C<3>}	124.2505	0.183	2	124.8897	2.195	4	124.8897	2.195	4	126.6530	11.135	130	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(C[6a]C[6a]2){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|O<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(H){4|C<3>}	123.9610	0.000	1	124.8897	2.195	4	124.8897	2.195	4	126.6530	11.135	130	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|O<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(H){4|C<3>}	127.0970	0.000	1	124.8897	2.195	4	124.8897	2.195	4	126.6530	11.135	130	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:O-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(O){4|C<3>}	122.7410	0.000	1	122.7410	0.000	1	122.7410	0.000	1	126.6530	11.135	130	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|S<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(H){4|C<3>}	122.4280	0.000	1	122.4280	0.000	1	122.4280	0.000	1	126.6530	11.135	130	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[5a])	C[5a](C[5a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]H){1|H<1>,1|S<2>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[5a]){1|S<2>,2|H<1>,7|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(H){4|C<3>}	125.3740	0.000	1	125.3740	0.000	1	125.3740	0.000	1	126.6530	11.135	130	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]S[5a])(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<2>,1|S<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]S[5a])(H){3|C<3>}	122.8210	0.000	1	122.8210	0.000	1	127.4089	3.180	20	126.6530	11.135	130	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]O[5a])(H)	C[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]O[5a])(H){3|C<3>}	125.9600	0.000	1	125.9600	0.000	1	127.4089	3.180	20	126.6530	11.135	130	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(H){1|C<4>,3|C<3>}	127.6170	0.000	1	127.6170	0.000	1	127.4089	3.180	20	126.6530	11.135	130	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(C[5a]O[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]O[5a])(H)	C[5a](C[5a]N[5a]H)(C[5a]O[5a]H)(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|O<2>,4|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]O[5a])(H){1|H<1>,2|C<3>}	127.9650	0.000	1	127.9650	0.000	1	127.4089	3.180	20	126.6530	11.135	130	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(C[5a]S[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]S[5a])(H)	C[5a](C[5a]N[5a]H)(C[5a]S[5a]H)(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<2>,1|S<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]S[5a])(H){1|H<1>,2|C<3>}	124.3060	0.892	2	124.3060	0.796	2	127.4089	3.180	20	126.6530	11.135	130	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)2(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]F)2	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(H)	C[5a](C[5a]N[5a]H)2(C[6a]C[6a]2){1|H<1>,2|C<3>,2|F<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]F)2{1|C<3>,1|N<2>,1|N<3>,2|F<1>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(H){2|C<3>,2|H<1>}	128.4390	0.606	6	128.4390	0.367	6	127.4089	3.180	20	126.6530	11.135	130	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)2(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(H)	C[5a](C[5a]N[5a]H)2(C[6a]C[6a]2){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(H){1|C<4>,1|H<1>,2|C<3>}	128.4890	0.000	1	128.4890	0.000	1	127.4089	3.180	20	126.6530	11.135	130	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)2(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(H)	C[5a](C[5a]N[5a]H)2(C[6a]C[6a]2){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,4|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(H){1|C<4>,1|H<1>,2|C<3>}	128.2567	0.765	4	128.0114	0.827	7	127.4089	3.180	20	126.6530	11.135	130	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)2(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(H)	C[5a](C[5a]N[5a]H)2(C[6a]C[6a]2){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(H){1|C<4>,1|H<1>,2|C<3>}	127.6843	1.150	3	128.0114	0.827	7	127.4089	3.180	20	126.6530	11.135	130	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(C[5a]O[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(O[5a]N[5a])(H)	C[5a](C[5a]N[5a]H)(C[5a]O[5a]H)(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|O<2>,4|H<1>}	C[5a](C[5a]C[5a]C[6a])(O[5a]N[5a])(H){1|H<1>,2|C<3>}	129.7350	0.000	1	129.7350	0.000	1	129.7350	0.000	1	126.6530	11.135	130	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:O-1:	C[5a](C[5a]N[5a]C[6])(C[5a]O[5a]O)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(O[5a]N[5a])(O)	C[5a](C[5a]N[5a]C[6])(C[5a]O[5a]O)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(O[5a]N[5a])(O){1|C<4>,3|C<3>}	123.4140	0.000	1	123.4140	0.000	1	123.4140	0.000	1	126.6530	11.135	130	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(H)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(C[6a]C[6a]2){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|S<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(H){1|C<4>,1|H<1>,2|C<3>}	122.1102	0.655	10	122.1102	0.429	10	123.0304	2.854	17	126.6530	11.135	130	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(H)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|S<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(H){1|N<3>,3|C<3>}	121.9920	0.000	1	121.9920	0.000	1	123.0304	2.854	17	126.6530	11.135	130	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(H)	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]H)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|S<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(H){1|H<1>,3|C<3>}	123.6995	0.540	2	123.6995	0.291	2	123.0304	2.854	17	126.6530	11.135	130	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(C[6a]C[6a]2){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|B<4>,1|S<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(H){2|C<3>,2|H<1>}	123.1760	0.000	1	123.1760	0.000	1	123.0304	2.854	17	126.6530	11.135	130	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(C[6a]C[6a]2){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|Cl<1>,1|S<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(H){1|H<1>,3|C<3>}	124.0440	0.000	1	124.0440	0.000	1	123.0304	2.854	17	126.6530	11.135	130	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(C[5a]S[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(S[5a]N[5a])(H)	C[5a](C[5a]N[5a]H)(C[5a]S[5a]H)(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<2>,1|S<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(S[5a]N[5a])(H){1|H<1>,2|C<3>}	126.9015	0.235	2	126.9015	0.055	2	123.0304	2.854	17	126.6530	11.135	130	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(H)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[5,6a]H)(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,2|H<1>,2|N<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(H){1|N<3>,3|C<3>}	126.5317	0.363	3	126.5317	0.132	3	127.1390	1.636	6	126.6530	11.135	130	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(C[5a]S[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]C[6a])(N[5a]S[5a])(H)	C[5a](C[5a]N[5a]H)(C[5a]S[5a]H)(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[6a](C[6a]C[5,6a]H)(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,1|S<2>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]S[5a])(H){1|H<1>,2|C<3>}	125.8040	0.000	1	125.8040	0.000	1	127.1390	1.636	6	126.6530	11.135	130	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(H)	C[5a](C[5a]N[5a]H)2(C[6a]C[6a]2){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5,6a]H)(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(H){1|C<4>,1|H<1>,2|C<3>}	128.7175	0.207	2	128.7175	0.043	2	127.1390	1.636	6	126.6530	11.135	130	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(H)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6,6a]H)(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<2>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(H){1|C<2>,1|N<3>,2|C<3>}	122.7680	0.000	1	122.7680	0.000	1	125.0613	2.922	4	126.6530	11.135	130	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(C[6a]C[6a]2){2|C<3>,3|H<1>}	C[6a](C[6a]C[5,6a]H)(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<4>,1|S<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(H){2|C<3>,2|H<1>}	124.7590	0.000	1	124.7590	0.000	1	125.0613	2.922	4	126.6530	11.135	130	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(C[6a]C[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[5a]C[5a]2)(C[6a]C[6a]H){1|S<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(H){1|H<1>,3|C<3>}	126.2040	0.000	1	126.2040	0.000	1	125.0613	2.922	4	126.6530	11.135	130	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(C[5a]S[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]C[6a])(S[5a]N[5a])(H)	C[5a](C[5a]N[5a]H)(C[5a]S[5a]H)(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[6a](C[6a]C[5,6a]H)(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,1|S<2>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(S[5a]N[5a])(H){1|H<1>,2|C<3>}	126.5140	0.000	1	126.5140	0.000	1	125.0613	2.922	4	126.6530	11.135	130	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:Br-1:	C[5a](C[5a]N[5a]Br)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(Br)	C[5a](C[5a]N[5a]Br)(C[6a]C[6a]2)(N[5a]N[5a]C){1|Br<1>,1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(Br){1|C<4>,2|C<3>}	132.0500	0.000	1	132.0500	0.000	1	132.0500	0.000	1	126.6530	11.135	130	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H){2|C<3>,2|C<4>}	128.0990	0.000	1	129.4061	0.362	7	130.4444	1.405	15	126.6530	11.135	130	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|C<4>,1|N<2>,2|C<3>}	129.5780	0.000	1	129.4061	0.362	7	130.4444	1.405	15	126.6530	11.135	130	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|C<4>,1|N<3>,2|C<3>}	129.4953	0.130	3	129.4061	0.362	7	130.4444	1.405	15	126.6530	11.135	130	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|C<4>,1|H<1>,2|C<3>}	129.8320	0.000	1	129.4061	0.362	7	130.4444	1.405	15	126.6530	11.135	130	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|C<4>,3|C<3>}	129.8480	0.000	1	129.4061	0.362	7	130.4444	1.405	15	126.6530	11.135	130	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]N[6a]O)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|O<1>,1|O<2>,2|N<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]N[6a]O)2{1|H<1>,1|N<2>,2|C<3>,3|C<4>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H){2|C<3>,2|C<4>}	130.9790	0.000	1	130.9790	0.000	1	130.4444	1.405	15	126.6530	11.135	130	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,4|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|C<4>,1|H<1>,2|C<3>}	132.0180	0.000	1	132.0180	0.000	1	130.4444	1.405	15	126.6530	11.135	130	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|N<2>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H){1|C<4>,2|C<3>}	131.0398	0.403	5	131.3043	0.550	6	130.4444	1.405	15	126.6530	11.135	130	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|C<3>,2|N<2>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H){3|C<3>}	132.6270	0.000	1	131.3043	0.550	6	130.4444	1.405	15	126.6530	11.135	130	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[5a]S[5a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(H)	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[5a]S[5a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]2){1|S<2>,2|H<1>,5|C<3>}	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(H){2|C<3>,2|H<1>}	126.0350	0.000	1	126.0350	0.000	1	126.0350	0.000	1	126.6530	11.135	130	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[6a]C[6,6a]C[6a])(C[5a]C[5a]H)(C[5a]S[5a]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(H)	C[5a](C[6a]C[6,6a]C[6a])(C[5a]C[5a]H)(C[5a]S[5a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[5a]C[5a]2)(C[6a]C[6a]H){1|S<2>,2|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(H){2|C<3>,2|H<1>}	121.5560	0.000	1	121.5560	0.000	1	121.5560	0.000	1	126.6530	11.135	130	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)(C[5a]O[5a]H)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[5a]C[5a]2)(C[6a]C[6a]O)	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(H)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)(C[5a]O[5a]H){1|H<1>,2|C<3>,2|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[5a]C[5a]2)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(H){1|C<4>,1|H<1>,2|C<3>}	126.1600	0.000	1	126.1600	0.000	1	126.1600	0.000	1	126.6530	11.135	130	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C[6a])(C[5a]S[5a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(H)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C[6a])(C[5a]S[5a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|H<1>,1|O<2>,1|S<2>,5|C<3>}	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(H){1|H<1>,3|C<3>}	121.5855	0.923	2	121.6888	1.214	6	123.0595	3.457	15	126.6530	11.135	130	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C[6a])(C[5a]S[5a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(H)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C[6a])(C[5a]S[5a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|S<2>,2|H<1>,5|C<3>}	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(H){1|H<1>,3|C<3>}	121.7405	1.315	4	121.6888	1.214	6	123.0595	3.457	15	126.6530	11.135	130	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(C[5a]S[5a]H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(H)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(C[5a]S[5a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|S<2>,4|C<3>,4|H<1>}	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(H){1|C<4>,1|H<1>,2|C<3>}	123.9733	1.716	9	123.9733	2.943	9	123.0595	3.457	15	126.6530	11.135	130	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:Br-1:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]S[5a]Br)(C[5a]C[5a]H)	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a,6a]H)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(Br)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]S[5a]Br)(C[5a]C[5a]H){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a,6a]H)(C[5a]C[5a]2){1|Br<1>,1|H<1>,1|S<2>,5|C<3>}	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(Br){1|Br<1>,1|H<1>,2|C<3>}	125.0338	1.425	6	125.0338	2.031	6	125.0338	2.031	6	126.6530	11.135	130	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]N[5a]H)(N[5a]C[5a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]N[6a]H)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]N[5a]H)(N[5a]C[5a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|C<4>,1|H<1>,2|C<3>}	132.3270	0.000	1	132.3270	0.000	1	132.3270	0.000	1	126.6530	11.135	130	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	N[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:I-1:	C[5a](N[5,5a]C[5,5a]C[5,6a])(C[5a]N[5a]I)(C[6a]C[6a]2)	C[6a](C[5a]N[5,5a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5,5a]C[6a])(N[5a]C[5,5a])(I)	C[5a](N[5,5a]C[5,5a]C[5,6a])(C[5a]N[5a]I)(C[6a]C[6a]2){1|S<2>,2|H<1>,4|C<3>}	C[6a](C[5a]N[5,5a]C[5a])(C[6a]C[6a]H)2{1|I<1>,1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5,5a]C[6a])(N[5a]C[5,5a])(I){1|S<2>,3|C<3>}	133.0405	1.445	2	133.0405	2.087	2	133.0405	2.087	2	126.6530	11.135	130	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	N[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,5a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(H)	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5a]N[5a,5a]C[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	C[5a](C[5a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(H){4|C<3>}	130.3990	0.000	1	130.3990	0.000	1	130.6560	0.132	2	126.6530	11.135	130	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	N[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,5a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,5a]C[6a])(N[5a]N[5a,5a])(H)	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]N[5a]H)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](C[5a]N[5a,5a]C[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]N[5a,5a]C[6a])(N[5a]N[5a,5a])(H){4|C<3>}	130.9130	0.000	1	130.9130	0.000	1	130.6560	0.132	2	126.6530	11.135	130	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	N[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:I-1:	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]N[5a]I)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,5a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(I)	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]N[5a]I)(C[6a]C[6a]2){1|S<2>,2|H<1>,4|C<3>}	C[6a](C[5a]N[5a,5a]C[5a])(C[6a]C[6a]H)2{1|I<1>,1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(I){1|S<2>,3|C<3>}	132.5720	0.000	1	132.5720	0.000	1	132.5720	0.000	1	126.6530	11.135	130	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	N[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:H-1:	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]S[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,5a]C[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5a](C[5a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(H)	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]S[5a]H)(C[6a]C[6a]2){1|Br<1>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5a]N[5a,5a]C[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|S<2>,3|C<3>,3|H<1>}	C[5a](C[5a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(H){1|N<2>,3|C<3>}	127.4230	0.000	1	127.4230	0.000	1	127.4575	0.002	2	126.6530	11.135	130	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	N[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:H-1:	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,5a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(H)	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]N[5a,5a]C[5a])(C[6a]C[6a]H)2{1|N<2>,1|S<2>,2|C<3>,3|H<1>}	C[5a](C[5a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(H){2|C<3>,2|N<2>}	127.4920	0.000	1	127.4920	0.000	1	127.4575	0.002	2	126.6530	11.135	130	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])(H)	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	C[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])(H){1|C<4>,3|C<3>}	127.1840	0.604	3	127.1840	0.365	3	127.1840	0.365	3	126.6530	11.135	130	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:Br-1:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Br)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(Br)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Br)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2{1|Br<1>,1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(Br){4|C<3>}	133.3905	0.863	2	133.3905	0.745	2	133.3905	0.745	2	126.6530	11.135	130	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(H){1|N<2>,3|C<3>}	131.6520	0.000	1	131.6520	0.000	1	130.4316	1.859	5	126.6530	11.135	130	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(H){4|C<3>}	131.4840	0.000	1	131.4840	0.000	1	130.4316	1.859	5	126.6530	11.135	130	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(H){4|C<3>}	130.0490	1.508	2	130.0490	2.273	2	130.4316	1.859	5	126.6530	11.135	130	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(H)	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2{2|C<3>,2|N<2>,3|H<1>}	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(H){1|N<2>,3|C<3>}	128.9240	0.000	1	128.9240	0.000	1	130.4316	1.859	5	126.6530	11.135	130	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:I-1:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]I)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(I)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]I)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2{1|I<1>,1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(I){4|C<3>}	128.3448	1.437	4	128.3448	2.066	4	128.3448	2.066	4	126.6530	11.135	130	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H){4|C<3>}	128.5790	0.000	1	128.5790	0.000	1	128.7145	0.034	4	126.6530	11.135	130	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H)	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>,3|N<2>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H){3|C<3>}	128.7580	0.000	1	128.7580	0.000	1	128.7145	0.034	4	126.6530	11.135	130	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H)	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|C<3>,2|N<2>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H){3|C<3>}	128.7605	0.279	2	128.7605	0.078	2	128.7145	0.034	4	126.6530	11.135	130	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:O-1:	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(O[5a]N[5a])(O)	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,2|C<3>}	C[5a](C[5a]C[6a]N[5a])(O[5a]N[5a])(O){3|C<3>}	129.4260	0.000	1	129.4260	0.000	1	128.2380	2.823	2	126.6530	11.135	130	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:O-1:	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(O[5a]N[5a])(O)	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(O[5a]N[5a])(O){3|C<3>}	127.0500	0.000	1	127.0500	0.000	1	128.2380	2.823	2	126.6530	11.135	130	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:N-2:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]F)2	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(NC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N)(C[6a]C[6a]2){1|H<1>,2|F<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]F)2{1|N<2>,1|O<2>,2|F<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(NC){4|C<3>}	125.1980	0.751	3	125.1980	0.564	3	125.1980	0.564	3	127.5035	11.114	24	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:N-2:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(NO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)(C[6a]C[6a]2){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(NO){1|S<2>,3|C<3>}	122.3550	0.000	1	122.3550	0.000	1	122.3550	0.000	1	127.5035	11.114	24	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:O-2:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(OC[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|O<2>,1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(OC[6a]){4|C<3>}	124.8600	0.000	1	124.8600	0.000	1	124.8600	0.000	1	127.5035	11.114	24	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-2:	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]O[5a])(CN)	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<2>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]O[5a])(CN){3|C<3>}	125.4240	0.000	1	125.4240	0.000	1	125.4240	0.000	1	127.5035	11.114	24	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:N-2:	C[5a](C[5a]C[5a]H)(C[5a]O[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(NC)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]N)(C[6a]C[6a]2){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(NC){1|H<1>,3|C<3>}	128.4820	0.000	1	128.4820	0.000	1	128.4820	0.000	1	127.5035	11.114	24	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:S-2:	C[5a](C[5a]C[5a]C)(C[5a]O[5a]S)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(SC)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]S)(C[6a]C[6a]2){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(SC){2|C<3>,2|C<4>}	126.5110	0.000	1	126.5110	0.000	1	126.5110	0.000	1	127.5035	11.114	24	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:C-2:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CC)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(C[6a]C[6a]2){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<2>,1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CC){4|C<3>}	124.2990	0.000	1	124.2990	0.000	1	123.1410	1.029	3	127.5035	11.114	24	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:C-2:	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CC)	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)(C[6a]C[6a]2){1|C<2>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<2>,1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CC){1|C<2>,3|C<3>}	122.5620	0.218	2	122.5620	0.047	2	123.1410	1.029	3	127.5035	11.114	24	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:S-2:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]S)(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(SC[5a])	C[5a](C[5a]C[5a]H)(C[5a]S[5a]S)(C[6a]C[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|O<2>,2|H<1>,2|S<2>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(SC[5a]){2|C<3>,2|H<1>}	125.3115	0.255	2	125.3115	0.065	2	125.3115	0.065	2	127.5035	11.114	24	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:2:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-2:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CC)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CC){1|C<4>,2|C<3>}	130.3300	0.843	2	130.3300	0.710	2	130.4416	1.430	7	127.5035	11.114	24	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:2:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-2:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CN)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CN){1|C<4>,2|C<3>}	129.9015	0.577	4	129.9015	0.333	4	130.4416	1.430	7	127.5035	11.114	24	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:2:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-2:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CN)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]H){2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<2>,1|C<3>,2|N<2>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CN){1|H<1>,2|C<3>}	132.8250	0.000	1	132.8250	0.000	1	130.4416	1.430	7	127.5035	11.114	24	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:2:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:S-2:	C[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(SC)	C[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|S<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(SC){1|H<1>,3|C<3>}	133.9410	0.000	1	133.9410	0.000	1	133.9410	0.000	1	127.5035	11.114	24	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CN)	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<2>,2|C<3>,2|H<1>,2|N<2>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CN){3|C<3>}	130.4865	0.139	2	130.4865	0.019	2	130.4865	0.019	2	127.5035	11.114	24	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:O-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(OH)	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>,2|N<2>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(OH){3|C<3>}	128.8060	0.000	1	128.8060	0.000	1	128.8060	0.000	1	127.5035	11.114	24	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a](C[5,5a]C[5,5a]S[5])(C[5a]C[6a]S[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5,5a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]2)	C[5a](C[5,5a]C[5,5a]S[5])(C[5a]C[6a]S[5a])(C[6a]C[6a]2){1|S<2>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5,5a]C[5a])(C[6a]C[6a]H)2{2|H<1>,2|S<2>,3|C<3>}	C[5a](C[5a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]2){2|H<1>,2|S<2>,4|C<3>}	126.7150	0.335	2	126.9698	0.915	4	126.9698	0.915	4	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a](C[5,5a]C[5,5a]S[5])(C[5a]C[6a]S[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5,5a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]2)	C[5a](C[5,5a]C[5,5a]S[5])(C[5a]C[6a]S[5a])(C[6a]C[6a]2){2|H<1>,2|O<1>,6|C<3>}	C[6a](C[5a]C[5,5a]C[5a])(C[6a]C[6a]H)2{1|S<2>,1|S<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]2){1|S<4>,2|H<1>,5|C<3>}	127.2245	1.541	2	126.9698	0.915	4	126.9698	0.915	4	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:C-3:	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]S[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(CC[5a]O)	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]S[5a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2{1|S<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(CC[5a]O){1|N<3>,3|C<3>}	126.6890	0.000	1	126.6890	0.000	1	127.2013	0.817	3	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:C-3:	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]S[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(CC[6a]O)	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]S[5a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2{1|S<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(CC[6a]O){1|N<3>,3|C<3>}	127.4575	1.114	2	127.4575	1.240	2	127.2013	0.817	3	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a](C[5a,5a]C[5a,5a]N[5a,6])(C[5a]C[6a]S[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]2)	C[5a](C[5a,5a]C[5a,5a]N[5a,6])(C[5a]C[6a]S[5a])(C[6a]C[6a]2){1|B<4>,2|H<1>,6|C<3>}	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2{1|N<3>,1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	122.8560	2.223	2	122.8560	4.942	2	125.6110	3.221	10	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]2)	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2{1|N<3>,1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	125.8880	0.815	2	125.8880	0.664	2	125.6110	3.221	10	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]2)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2{2|H<1>,2|S<2>,3|C<3>}	C[5a](C[5a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]2){1|S<2>,2|H<1>,5|C<3>}	126.4370	0.889	6	126.4370	0.790	6	125.6110	3.221	10	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:N-3:	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]S[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(NCN)	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]S[5a]N)(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2{1|N<3>,1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(NCN){1|N<3>,3|C<3>}	124.0490	0.000	1	124.0490	0.000	1	124.0490	0.000	1	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a]C[5a,6]C[6a])(N[5a]N[5a,6])(COO)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6]C[6a])(N[5a]N[5a,6])(COO){1|C<4>,3|C<3>}	129.8410	0.000	1	129.8410	0.000	1	129.8410	0.000	1	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:C-3:	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6]C[6a])(O[5a]C[5a,6])(CC[6a]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]C)(C[6a]C[6a]2){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6]C[6a])(O[5a]C[5a,6])(CC[6a]O){1|C<4>,3|C<3>}	127.3110	0.000	1	127.3110	0.000	1	127.3110	0.000	1	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]O[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]2)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]O[5a])(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]2){2|H<1>,6|C<3>}	127.2425	1.540	4	127.2425	2.371	4	127.2425	2.371	4	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	128.3020	0.000	1	128.3020	0.000	1	129.5393	4.763	4	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	128.6470	1.427	2	128.6470	2.036	2	129.5393	4.763	4	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|Cl<1>,1|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	132.5610	0.000	1	132.5610	0.000	1	129.5393	4.763	4	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(NCS)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]N)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(NCS){4|C<3>}	124.8580	0.000	1	124.8580	0.000	1	125.9690	2.469	2	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(NHS)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]N)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(NHS){4|C<3>}	127.0800	0.000	1	127.0800	0.000	1	125.9690	2.469	2	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:C-3:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]O[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(CC[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]O[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{3|O<2>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(CC[6a]O){4|C<3>}	125.9750	0.000	1	125.9750	0.000	1	127.0407	0.951	3	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:C-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(CC[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]2){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(CC[6a]O){4|C<3>}	127.5735	0.446	2	127.5735	0.199	2	127.0407	0.951	3	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	124.8750	0.000	1	124.8750	0.000	1	128.2380	1.637	21	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	127.1450	1.273	2	128.4061	1.098	20	128.2380	1.637	21	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	128.2955	0.569	2	128.4061	1.098	20	128.2380	1.637	21	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{3|O<2>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	127.1530	0.000	1	128.4061	1.098	20	128.2380	1.637	21	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|O<2>,2|C<4>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,7|C<3>}	126.9240	0.000	1	128.4061	1.098	20	128.2380	1.637	21	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	128.7975	0.868	14	128.4061	1.098	20	128.2380	1.637	21	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:N-3:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]O[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(NOO)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]O[5a]N)(C[6a]C[6a]2){1|Br<1>,1|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(NOO){4|C<3>}	127.8580	1.319	3	127.8580	1.740	3	128.1037	6.438	8	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:N-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]F)2	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(NHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N)(C[6a]C[6a]2){1|H<1>,2|F<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]F)2{1|N<3>,1|O<2>,2|F<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(NHH){4|C<3>}	126.8970	0.000	1	126.8970	0.000	1	128.1037	6.438	8	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:N-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(NCC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(NCC){4|C<3>}	131.6245	1.426	2	131.6245	2.034	2	128.1037	6.438	8	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:N-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(NHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N)(C[6a]C[6a]2){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(NHH){4|C<3>}	125.5550	0.362	2	125.5550	0.131	2	128.1037	6.438	8	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:P-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]P)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(PC[6]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]P)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|O<2>,1|P<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(PC[6]2){4|C<3>}	127.9550	0.000	1	127.9550	0.000	1	127.9550	0.000	1	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]F)2	C[5a](C[5a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2){2|F<1>,7|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]F)2{1|S<2>,2|F<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	121.6180	0.000	1	121.6180	0.000	1	124.5496	3.002	5	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](C[5a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2){1|N<3>,2|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|S<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	124.6530	0.000	1	124.6530	0.000	1	124.5496	3.002	5	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|S<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	125.4923	0.607	3	125.4923	0.369	3	124.5496	3.002	5	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:N-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(NHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)(C[6a]C[6a]2){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|Br<1>,1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(NHH){1|S<2>,3|C<3>}	120.6710	0.632	2	120.6710	0.400	2	120.6710	0.400	2	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:N-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5a]O[5a]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]O)	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(NOO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5a]O[5a]N){1|O<1>,2|O<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]O){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(NOO){4|C<3>}	130.8040	0.000	1	130.8040	0.000	1	130.8040	0.000	1	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:C-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5a]S[5a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)	C[5a](C[5a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(CHO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5a]S[5a]C){1|C<2>,1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C){1|S<2>,2|H<1>,6|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(CHO){4|C<3>}	125.0320	0.000	1	125.0320	0.000	1	125.0320	0.000	1	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]S[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]O)	C[5a](C[5a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[5a]C[5a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]S[5a]){1|H<1>,1|O<2>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]O){1|S<2>,2|H<1>,6|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[5a]C[5a]2){1|S<2>,2|C<4>,5|C<3>}	125.3465	1.763	2	125.3465	3.108	2	125.3465	3.108	2	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]O)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]O){1|H<1>,3|C<3>}	128.8800	0.000	1	128.8800	0.000	1	129.3952	4.089	6	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]P)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]C)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]P)(C[6a]C[6a]2){2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,1|P<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]C){1|H<1>,1|P<4>,2|C<3>}	125.6500	0.000	1	125.6500	0.000	1	129.3952	4.089	6	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]P)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]P)(C[6a]C[6a]2){2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,1|P<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]O){1|H<1>,1|P<4>,2|C<3>}	130.2630	0.000	1	130.2630	0.000	1	129.3952	4.089	6	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]O[5a])(COO)	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]O[5a])(COO){3|C<3>}	131.3630	0.000	1	131.3630	0.000	1	129.3952	4.089	6	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)2(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CHN)	C[5a](C[5a]N[5a]C)2(C[6a]C[6a]2){2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CHN){1|H<1>,3|C<3>}	130.6150	0.000	1	130.6150	0.000	1	129.3952	4.089	6	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)2(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(COO)	C[5a](C[5a]N[5a]C)2(C[6a]C[6a]2){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(COO){1|C<4>,3|C<3>}	129.6000	0.000	1	129.6000	0.000	1	129.3952	4.089	6	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C[6]-3:	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(C[6]C[6]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(C[6a]C[6a]2){1|C<2>,2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(C[6]C[6]2){1|H<1>,6|C<3>}	125.1290	0.000	1	125.1290	0.000	1	125.1290	0.000	1	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:C-3:	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CCH)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(C[6a]C[6a]2){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CCH){4|C<3>}	126.8260	0.000	1	126.8260	0.000	1	127.6903	6.139	17	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:C-3:	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CC[6a]2)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(C[6a]C[6a]2){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CC[6a]2){1|C<4>,3|C<3>}	125.1130	0.000	1	125.1130	0.000	1	127.6903	6.139	17	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:C-3:	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CC[6a]C)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(C[6a]C[6a]2){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CC[6a]C){1|O<2>,3|C<3>}	124.4585	0.820	2	124.4585	0.672	2	127.6903	6.139	17	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:C-3:	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(COO)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(C[6a]C[6a]2){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(COO){1|O<2>,3|C<3>}	125.8060	0.000	1	125.8060	0.000	1	127.6903	6.139	17	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:C-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CCH)	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CCH){1|C<4>,3|C<3>}	125.9310	0.000	1	125.9310	0.000	1	127.6903	6.139	17	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:C-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CHO)	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CHO){4|C<3>}	127.0365	1.480	2	127.0365	2.190	2	127.6903	6.139	17	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:C-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CNO)	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CNO){4|C<3>}	127.7745	0.103	2	127.7745	0.011	2	127.6903	6.139	17	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:C-3:	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CCO)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(C[6a]C[6a]2){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CCO){1|H<1>,3|C<3>}	131.7330	0.000	1	131.7330	0.000	1	127.6903	6.139	17	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:C-3:	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CHO)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(C[6a]C[6a]2){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CHO){1|H<1>,3|C<3>}	129.2450	0.000	1	129.2450	0.000	1	127.6903	6.139	17	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:C-3:	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CNO)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(C[6a]C[6a]2){2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CNO){2|C<3>,2|H<1>}	129.0020	0.000	1	129.0020	0.000	1	127.6903	6.139	17	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:C-3:	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(COO)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(C[6a]C[6a]2){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(COO){1|H<1>,3|C<3>}	130.2860	2.120	2	130.2860	4.494	2	127.6903	6.139	17	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(O[5a]N[5a])(CCN)	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<2>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(O[5a]N[5a])(CCN){1|C<2>,2|C<3>}	131.9640	0.000	1	131.9640	0.000	1	127.6903	6.139	17	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(O[5a]N[5a])(CN[6]O)	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(O[5a]N[5a])(CN[6]O){3|C<3>}	126.0040	0.000	1	126.0040	0.000	1	127.6903	6.139	17	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:N-3:	C[5a](C[5a]C[5a]C)(C[5a]O[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(NCC)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]N)(C[6a]C[6a]2){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(NCC){4|C<3>}	128.7720	0.000	1	128.7720	0.000	1	127.2917	0.925	9	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:N-3:	C[5a](C[5a]C[5a]C)(C[5a]O[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(NCS)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]N)(C[6a]C[6a]2){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(NCS){2|C<3>,2|C<4>}	127.5523	0.648	4	127.5523	0.420	4	127.2917	0.925	9	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:N-3:	C[5a](C[5a]C[5a]C)(C[5a]O[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(NC[6]S)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]N)(C[6a]C[6a]2){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(NC[6]S){2|C<3>,2|C<4>}	126.6690	0.352	2	126.6690	0.124	2	127.2917	0.925	9	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:N-3:	C[5a](C[5a]C[5a]C)(C[5a]O[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(NC[6a]S)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]N)(C[6a]C[6a]2){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(NC[6a]S){2|C<3>,2|C<4>}	126.6530	1.400	2	126.6530	1.960	2	127.2917	0.925	9	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:C-3:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CCO)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|S<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CCO){1|N<3>,3|C<3>}	123.8460	0.000	1	123.8460	0.000	1	124.8772	3.377	13	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:C-3:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CC[6a]H)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(C[6a]C[6a]2){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|S<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CC[6a]H){1|N<2>,3|C<3>}	121.6790	0.000	1	121.6790	0.000	1	124.8772	3.377	13	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:C-3:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CNO)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<2>,1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CNO){1|C<2>,1|N<3>,2|C<3>}	128.0575	0.190	2	128.0575	0.036	2	124.8772	3.377	13	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:C-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CNO)	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|S<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CNO){4|C<3>}	124.1575	0.902	6	124.1575	0.814	6	124.8772	3.377	13	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:C-3:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CNO)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6a]C[6a]2){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|S<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CNO){2|C<3>,2|H<1>}	125.8420	0.000	1	125.8420	0.000	1	124.8772	3.377	13	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:C-3:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]F)2	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(COO)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6a]C[6a]2){1|H<1>,2|C<3>,2|F<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]F)2{1|H<1>,1|S<2>,2|F<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(COO){2|C<3>,2|H<1>}	125.2540	0.000	1	125.2540	0.000	1	124.8772	3.377	13	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:C-3:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CC[6a]O)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6a]C[6a]2){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|S<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CC[6a]O){1|H<1>,3|C<3>}	125.7220	0.000	1	125.7220	0.000	1	124.8772	3.377	13	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:C[6]-3:	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(C[6]C[6]2)	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|S<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(C[6]C[6]2){3|H<1>,5|C<3>}	127.2480	0.918	2	127.2480	0.842	2	127.2480	0.842	2	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:C-3:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CC[5a]O)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6a]C[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|O<2>,1|S<2>,2|H<1>,5|C<3>}	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CC[5a]O){2|C<3>,2|H<1>}	129.0370	0.042	2	129.0370	0.002	2	129.0370	0.002	2	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:S-3:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]S)(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(SC[5a]O)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]S)(C[6a]C[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|O<2>,1|S<2>,1|S<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(SC[5a]O){2|C<3>,2|H<1>}	126.0810	0.206	2	126.0810	0.043	2	126.0810	0.043	2	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]O)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]C){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]O){1|C<4>,3|C<3>}	131.0580	0.000	1	131.0580	0.000	1	133.1430	1.948	14	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]O)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]O){1|H<1>,1|S<2>,2|C<3>}	133.4560	0.000	1	133.4560	0.000	1	133.1430	1.948	14	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CNO)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CNO){1|C<4>,1|H<1>,2|C<3>}	134.4885	0.371	2	134.4885	0.138	2	133.1430	1.948	14	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(COO)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(COO){1|C<4>,1|H<1>,2|C<3>}	133.9000	0.000	1	133.8320	0.009	2	133.1430	1.948	14	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(COO)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(COO){1|H<1>,3|C<3>}	133.7640	0.000	1	133.8320	0.009	2	133.1430	1.948	14	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]B)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CCO)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]B){2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|B<4>,2|C<3>,2|H<1>,2|N<2>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CCO){1|B<4>,2|C<3>}	132.3870	0.000	1	132.3870	0.000	1	133.1430	1.948	14	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CCH)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CCH){1|C<4>,2|C<3>}	131.5930	1.045	2	131.5930	1.092	2	133.1430	1.948	14	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CCO)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,2|N<2>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CCO){3|C<3>}	132.8610	0.000	1	132.8610	0.000	1	133.1430	1.948	14	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CC[6a]O)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CC[6a]O){1|C<4>,2|C<3>}	132.6970	0.146	2	132.6970	0.021	2	133.1430	1.948	14	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(COW)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(COW){1|C<4>,2|C<3>}	134.5095	2.337	2	134.5095	5.462	2	133.1430	1.948	14	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(NOO)	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(NOO){2|C<3>,2|C<4>}	134.0745	0.808	2	133.7660	0.612	3	133.5822	1.887	8	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(NOO)	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(NOO){2|C<3>,2|C<4>}	133.1490	0.000	1	133.7660	0.612	3	133.5822	1.887	8	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(NCS)	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]C){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(NCS){4|C<3>}	130.4690	0.000	1	130.4690	0.000	1	133.5822	1.887	8	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(NOO)	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|N<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(NOO){1|C<4>,1|H<1>,2|C<3>}	133.8020	0.000	1	134.0630	0.136	2	133.5822	1.887	8	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(NOO)	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(NOO){1|C<4>,1|H<1>,2|C<3>}	134.3240	0.000	1	134.0630	0.136	2	133.5822	1.887	8	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(NCS)	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(NCS){1|H<1>,3|C<3>}	133.9890	0.000	1	133.9890	0.000	1	133.5822	1.887	8	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(NOO)	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]C){1|Br<1>,1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|N<2>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(NOO){1|C<4>,2|C<3>}	134.7760	0.000	1	134.7760	0.000	1	133.5822	1.887	8	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:C-3:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)(C[5a]S[5a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]C)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CNO)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)(C[5a]S[5a]C){2|C<4>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]C){1|C<4>,1|S<2>,2|H<1>,5|C<3>}	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CNO){2|C<3>,2|C<4>}	124.9770	0.000	1	124.9770	0.000	1	124.9770	0.000	1	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[6a]-3:N[5a]-3:C[5a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[6a]N[5a])(C[5a]N[5a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(COO)	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[6a]N[5a])(C[5a]N[5a]C){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){2|H<1>,2|N<2>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(COO){3|C<3>}	133.7845	1.964	2	133.7845	3.856	2	133.7845	3.856	2	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	N[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a](N[5,5a]C[5,5a]C[5,5])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]N[5,5a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]2)	C[5a](N[5,5a]C[5,5a]C[5,5])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,2|N<2>,6|C<3>}	C[6a](C[5a]N[5,5a]C[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	133.2250	0.000	1	133.2250	0.000	1	133.2212	1.274	9	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	N[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a](N[5,5a]C[5,5a]C[5,6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]N[5,5a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]2)	C[5a](N[5,5a]C[5,5a]C[5,6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[5a]N[5,5a]C[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	133.0779	1.228	7	133.0779	1.509	7	133.2212	1.274	9	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	N[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]N[5,5a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]2)	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|S<2>,4|C<3>,4|H<1>}	C[6a](C[5a]N[5,5a]C[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]2){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	134.2210	0.000	1	134.2210	0.000	1	133.2212	1.274	9	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	N[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[6a]S[5a])(C[6a]C[6a]2)	C[6a](C[5a]N[5,5a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]2)	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[6a]S[5a])(C[6a]C[6a]2){2|H<1>,2|N<3>,5|C<3>}	C[6a](C[5a]N[5,5a]C[5a])(C[6a]C[6a]H)2{1|S<2>,2|H<1>,4|C<3>}	C[5a](C[5a]N[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	126.2970	0.000	1	126.2970	0.000	1	126.2970	0.000	1	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	N[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a,5a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]2)	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|S<2>,3|H<1>,5|C<3>}	C[6a](C[5a]N[5a,5a]C[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[5a](C[5a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]2){1|S<2>,2|H<1>,5|C<3>}	134.4227	1.165	6	134.4227	1.357	6	134.4227	1.357	6	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	N[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a,5a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]2)	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[5a]N[5a,5a]C[5a])(C[6a]C[6a]H)2{1|N<2>,1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]2){2|H<1>,2|N<2>,4|C<3>}	130.6460	0.000	1	130.6460	0.000	1	130.6460	0.000	1	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a](N[5a,6]C[5a,6]C[6,6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2)	C[5a](N[5a,6]C[5a,6]C[6,6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	131.2130	0.624	3	131.2130	0.389	3	131.7328	2.257	11	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2){2|H<1>,6|C<3>}	132.3000	0.000	1	131.9278	2.953	8	131.7328	2.257	11	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<3>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	130.0853	0.558	3	131.9278	2.953	8	131.7328	2.257	11	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	132.0450	0.000	1	131.9278	2.953	8	131.7328	2.257	11	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	133.6070	0.792	3	131.9278	2.953	8	131.7328	2.257	11	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(CC[6a]O)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(CC[6a]O){4|C<3>}	133.1920	0.702	5	133.1920	0.493	5	133.1920	0.493	5	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	130.3385	0.149	2	132.9942	2.369	11	132.9942	2.369	11	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<2>,3|H<1>,5|C<3>}	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	133.8370	0.041	2	132.9942	2.369	11	132.9942	2.369	11	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	133.5121	1.021	7	132.9942	2.369	11	132.9942	2.369	11	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(NCH)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(NCH){1|N<2>,3|C<3>}	132.3190	0.000	1	132.3190	0.000	1	132.3190	0.000	1	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CCH)	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,2|N<2>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CCH){3|C<3>}	129.2130	0.000	1	129.2130	0.000	1	130.8935	5.648	2	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CC[6a]O)	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,2|N<2>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CC[6a]O){3|C<3>}	132.5740	0.000	1	132.5740	0.000	1	130.8935	5.648	2	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(NOO)	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(NOO){3|C<3>}	134.4437	1.577	3	134.4437	2.486	3	134.4437	2.486	3	129.2162	12.648	201	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]S[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(CCHH)	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]S[5a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|O<2>,1|S<2>,3|C<3>}	C[5a](C[5a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(CCHH){1|N<3>,3|C<3>}	124.4320	0.000	1	124.4320	0.000	1	124.4320	0.000	1	126.7516	8.284	89	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(CCCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(CCCH){4|C<3>}	125.6370	0.000	1	125.6370	0.000	1	128.8180	8.012	3	126.7516	8.284	89	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(CH3)	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|Cl<1>,1|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|N<2>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(CH3){1|N<2>,3|C<3>}	131.0590	0.000	1	131.0590	0.000	1	128.8180	8.012	3	126.7516	8.284	89	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(CF3)	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|N<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(CF3){1|N<3>,3|C<3>}	129.7580	0.000	1	129.7580	0.000	1	128.8180	8.012	3	126.7516	8.284	89	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]O[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(CC[6a]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]O[5a]C)(C[6a]C[6a]2){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(CC[6a]HH){4|C<3>}	124.5580	0.000	1	124.5580	0.000	1	127.4738	4.192	11	126.7516	8.284	89	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]2){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(CCHH){4|C<3>}	130.1640	0.000	1	130.1640	0.000	1	127.4738	4.192	11	126.7516	8.284	89	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]2){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(CCHH){4|C<3>}	129.6775	0.006	2	129.6775	0.000	2	127.4738	4.192	11	126.7516	8.284	89	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(CCFF)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(CCFF){4|C<3>}	128.8030	0.000	1	128.8030	0.000	1	127.4738	4.192	11	126.7516	8.284	89	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]2){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(CCHH){4|C<3>}	124.1680	0.000	1	124.1680	0.000	1	127.4738	4.192	11	126.7516	8.284	89	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(CC[6a]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(CC[6a]HH){4|C<3>}	127.9820	0.000	1	127.9820	0.000	1	127.4738	4.192	11	126.7516	8.284	89	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]2){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(CH3){4|C<3>}	126.2610	0.629	2	126.7955	0.560	4	127.4738	4.192	11	126.7516	8.284	89	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(CH3){4|C<3>}	127.3300	0.375	2	126.7955	0.560	4	127.4738	4.192	11	126.7516	8.284	89	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:P-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]P)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(PC[6]2S)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]P)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|O<2>,1|P<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(PC[6]2S){4|C<3>}	130.6930	0.000	1	130.6930	0.000	1	130.2617	1.887	7	126.7516	8.284	89	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:P-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]P)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(PC[6a]2O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]P)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|O<2>,1|P<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(PC[6a]2O){4|C<3>}	129.2730	0.000	1	129.2730	0.000	1	130.2617	1.887	7	126.7516	8.284	89	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:P-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]P)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(PC[6a]2S)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]P)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|O<2>,1|P<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(PC[6a]2S){4|C<3>}	130.3732	1.589	5	130.3732	2.524	5	130.2617	1.887	7	126.7516	8.284	89	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(CCHH){4|C<3>}	124.5367	0.821	6	124.5367	0.673	6	124.5367	0.673	6	126.7516	8.284	89	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CF3)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){2|H<1>,2|N<2>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CF3){4|C<3>}	126.4380	0.000	1	126.4380	0.000	1	127.9569	1.809	11	126.7516	8.284	89	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]C[6a])(N[5a]O[5a])(CCHH)	C[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]O[5a])(CCHH){3|C<3>}	129.8160	0.000	1	129.8160	0.000	1	127.9569	1.809	11	126.7516	8.284	89	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]O[5a])(CCCH)	C[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	C[5a](C[5a]C[5a]C[6a])(N[5a]O[5a])(CCCH){3|C<3>}	127.1730	0.000	1	126.4500	1.045	2	127.9569	1.809	11	126.7516	8.284	89	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]O[5a])(CCCH)	C[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|N<2>}	C[5a](C[5a]C[5a]C[6a])(N[5a]O[5a])(CCCH){3|C<3>}	125.7270	0.000	1	126.4500	1.045	2	127.9569	1.809	11	126.7516	8.284	89	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CF3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(C[6a]C[6a]2){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|N<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CF3){1|C<4>,1|N<3>,2|C<3>}	130.0840	0.000	1	130.0840	0.000	1	127.9569	1.809	11	126.7516	8.284	89	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)2(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CHHN)	C[5a](C[5a]N[5a]C)2(C[6a]C[6a]2){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<2>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CHHN){1|C<2>,1|C<4>,2|C<3>}	128.9680	0.000	1	128.9680	0.000	1	127.9569	1.809	11	126.7516	8.284	89	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)2(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CH3)	C[5a](C[5a]N[5a]C)2(C[6a]C[6a]2){1|Pd<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<4>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CH3){1|Pd<4>,1|C<4>,2|C<3>}	128.4790	0.000	1	127.8640	0.289	5	127.9569	1.809	11	126.7516	8.284	89	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)2(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CH3)	C[5a](C[5a]N[5a]C)2(C[6a]C[6a]2){2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CH3){1|C<4>,1|H<1>,2|C<3>}	127.7103	0.477	4	127.8640	0.289	5	127.9569	1.809	11	126.7516	8.284	89	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:P-4:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]P)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(PO3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]P)(C[6a]C[6a]2){2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,1|P<4>,2|C<3>,2|O<2>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(PO3){1|H<1>,3|C<3>}	127.3430	0.000	1	127.3430	0.000	1	127.3430	0.000	1	126.7516	8.284	89	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(C[6a]C[6a]2){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CH3){4|C<3>}	126.4530	0.000	1	126.4530	0.000	1	126.6754	0.630	5	126.7516	8.284	89	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CH3){4|C<3>}	127.1120	0.000	1	127.1120	0.000	1	126.6754	0.630	5	126.7516	8.284	89	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a](C[5a]C[5a]N)(C[5a]O[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]N)(C[5a]O[5a]C)(C[6a]C[6a]2){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CH3){1|N<3>,3|C<3>}	127.8140	0.000	1	127.8140	0.000	1	126.6754	0.630	5	126.7516	8.284	89	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a](C[5a]C[5a]S)(C[5a]O[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CCHH)	C[5a](C[5a]C[5a]S)(C[5a]O[5a]C)(C[6a]C[6a]2){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,1|S<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CCHH){1|S<4>,3|C<3>}	126.1840	0.000	1	126.1840	0.000	1	126.6754	0.630	5	126.7516	8.284	89	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(O[5a]N[5a])(CH3)	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(O[5a]N[5a])(CH3){3|C<3>}	125.8140	0.000	1	125.8140	0.000	1	126.6754	0.630	5	126.7516	8.284	89	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:Si-4:	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]Si)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(O[5a]N[5a])(SiC3)	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]Si)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|Si<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(O[5a]N[5a])(SiC3){3|C<3>}	127.5910	0.000	1	127.5910	0.000	1	127.5910	0.000	1	126.7516	8.284	89	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CCCH)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<2>,1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CCCH){1|C<2>,1|N<3>,2|C<3>}	124.6555	0.599	2	124.6555	0.359	2	123.3086	1.600	8	126.7516	8.284	89	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CCHN)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6a]C[6a]2){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CCHN){2|C<3>,2|H<1>}	124.1960	0.000	1	122.8273	1.413	3	123.3086	1.600	8	126.7516	8.284	89	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CCHN)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6a]C[6a]2){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|S<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CCHN){2|C<3>,2|H<1>}	122.1430	0.127	2	122.8273	1.413	3	123.3086	1.600	8	126.7516	8.284	89	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6a]C[6a]2){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CH3){1|H<1>,3|C<3>}	123.8080	0.000	1	123.8080	0.000	1	123.3086	1.600	8	126.7516	8.284	89	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[5a]C[5a]S)(C[5a]S[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]S)(C[5a]S[5a]C)(C[6a]C[6a]2){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>,2|S<2>}	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CH3){1|S<2>,3|C<3>}	122.4340	1.383	2	122.4340	1.913	2	123.3086	1.600	8	126.7516	8.284	89	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[5a]C[5a]2)(C[6a]C[6a]O)	C[5a](C[5a]C[5a]C[6a])(N[5a]O[5a])(CH3)	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(C[6a]C[6a]2){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[5a]C[5a]2)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<4>}	C[5a](C[5a]C[5a]C[6a])(N[5a]O[5a])(CH3){1|C<4>,2|C<3>}	127.2030	0.000	1	127.2030	0.000	1	126.1865	2.067	2	126.7516	8.284	89	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CH3)	C[5a](C[5a]N[5a]C)2(C[6a]C[6a]2){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<4>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CH3){1|C<4>,3|C<3>}	125.1700	0.000	1	125.1700	0.000	1	126.1865	2.067	2	126.7516	8.284	89	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[5a]C[5a]2)(C[6a]C[6a]O)	C[5a](C[5a]C[5a]C[6a])(O[5a]N[5a])(CH3)	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(C[6a]C[6a]2){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[5a]C[5a]2)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<4>}	C[5a](C[5a]C[5a]C[6a])(O[5a]N[5a])(CH3){1|C<4>,2|C<3>}	128.6150	0.000	1	128.6150	0.000	1	128.6150	0.000	1	126.7516	8.284	89	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]F)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6a]C[6a]2){1|F<1>,4|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]F){1|C<4>,1|H<1>,1|S<2>,2|F<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CH3){1|H<1>,3|C<3>}	125.5910	0.296	2	125.5910	0.087	2	124.4487	2.517	6	126.7516	8.284	89	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6a]C[6a]2){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|S<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CH3){1|C<4>,1|H<1>,2|C<3>}	122.8225	0.521	2	123.8775	2.862	4	124.4487	2.517	6	126.7516	8.284	89	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6a]C[6a]2){1|H<1>,4|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<4>,1|S<2>,3|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CH3){1|H<1>,3|C<3>}	124.9325	1.965	2	123.8775	2.862	4	124.4487	2.517	6	126.7516	8.284	89	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]C){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]HH){1|C<4>,1|N<3>,2|C<3>}	131.9050	0.000	1	131.9050	0.000	1	130.6590	1.391	3	126.7516	8.284	89	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]HS)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]HS){2|C<3>,2|C<4>}	130.5120	0.000	1	130.5120	0.000	1	130.6590	1.391	3	126.7516	8.284	89	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]N)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CH3)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C){1|Cl<1>,1|N<3>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]N){1|C<3>,2|C<4>,2|H<1>,2|N<2>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CH3){1|C<4>,2|C<3>}	129.5600	0.000	1	129.5600	0.000	1	130.6590	1.391	3	126.7516	8.284	89	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a](C[5a]O[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(CCHH)	C[5a](C[5a]O[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(CCHH){1|H<1>,1|O<1>,2|C<3>}	132.6105	0.504	2	132.6105	0.254	2	132.6105	0.254	2	126.7516	8.284	89	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a](C[6a]C[5,6a]C[6a])(C[5a]C[5a]H)(C[5a]O[5a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CH3)	C[5a](C[6a]C[5,6a]C[6a])(C[5a]C[5a]H)(C[5a]O[5a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|O<2>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CH3){1|C<4>,1|H<1>,2|C<3>}	127.2700	0.000	1	127.2700	0.000	1	127.2700	0.000	1	126.7516	8.284	89	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[5a]S[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]C[5a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CH3)	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[5a]S[5a]C){1|N<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]C[5a])(C[5a]C[5a]2){2|C<4>,2|N<2>,2|S<2>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CH3){1|C<4>,3|C<3>}	124.1020	0.865	2	124.1020	0.749	2	124.1020	0.749	2	126.7516	8.284	89	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[6a]C[6,6a]C[6a])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[5a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CH3)	C[5a](C[6a]C[6,6a]C[6a])(C[5a]C[5a]H)(C[5a]S[5a]C){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[5a])(C[5a]C[5a]2){1|C<4>,1|N<3>,1|S<2>,2|H<1>,6|C<3>}	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CH3){2|C<3>,2|H<1>}	123.8617	0.526	6	123.8617	0.277	6	123.8617	0.277	6	126.7516	8.284	89	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[5a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CH3)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[5a])(C[5a]C[5a]2){1|C<4>,1|N<2>,1|S<2>,2|H<1>,6|C<3>}	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CH3){1|C<4>,1|H<1>,2|C<3>}	123.8365	0.125	2	124.1260	0.350	6	124.1260	0.350	6	126.7516	8.284	89	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[5a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CH3)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[5a])(C[5a]C[5a]2){1|C<4>,1|S<2>,2|H<1>,7|C<3>}	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CH3){1|C<4>,1|H<1>,2|C<3>}	123.3710	0.000	1	124.1260	0.350	6	124.1260	0.350	6	126.7516	8.284	89	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[5a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CH3)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(C[5a]S[5a]C){5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[5a])(C[5a]C[5a]2){1|C<4>,1|S<2>,2|H<1>,7|C<3>}	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CH3){1|H<1>,3|C<3>}	124.5707	0.448	3	124.1260	0.350	6	124.1260	0.350	6	126.7516	8.284	89	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a]-3:N[6a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a]H)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CH3)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a]H)(C[5a]C[5a]2){1|C<4>,1|H<1>,1|S<2>,5|C<3>}	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	124.7570	0.000	1	124.7570	0.000	1	124.7570	0.000	1	126.7516	8.284	89	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	N[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:C-4:	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,5a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(CCHN)	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]C)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]N[5a,5a]C[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(CCHN){2|C<3>,2|N<2>}	127.4320	0.000	1	127.4320	0.000	1	127.4320	0.000	1	126.7516	8.284	89	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CH3)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CH3){1|N<3>,3|C<3>}	131.9705	0.135	2	131.9705	0.018	2	131.9705	0.018	2	126.7516	8.284	89	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:P-4:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]P)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(PC[6a]2Cu)	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]P)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|P<4>,2|C<3>,2|H<1>,2|N<2>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(PC[6a]2Cu){3|C<3>}	130.9840	0.000	1	130.9840	0.000	1	130.9840	0.000	1	126.7516	8.284	89	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:Si-4:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]Si)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(SiC3)	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]Si)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Si<4>,2|C<3>,2|H<1>,2|N<2>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(SiC3){3|C<3>}	131.0420	0.000	1	131.0420	0.000	1	131.0420	0.000	1	126.7516	8.284	89	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:6:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:S-6:	C[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(SC[6a]F4)	C[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|S<6>,2|H<1>,2|N<2>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(SC[6a]F4){1|C<4>,2|C<3>}	136.6720	0.000	1	136.6720	0.000	1	136.6720	0.000	1	136.6720	0.000	1	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a,5a]N[5a,5a,6]C[5a])(C[5a]C[5a,6]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a])(H)	C[5a](C[5a,5a]N[5a,5a,6]C[5a])(C[5a]C[5a,6]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a])(H){1|H<1>,5|C<3>}	126.1570	0.000	1	126.6590	0.504	2	126.6590	0.504	2	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a,5a]N[5a,5a,6]C[5a])(C[5a]C[5a,6]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a])(H)	C[5a](C[5a,5a]N[5a,5a,6]C[5a])(C[5a]C[5a,6]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a])(H){1|H<1>,5|C<3>}	127.1610	0.000	1	126.6590	0.504	2	126.6590	0.504	2	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(H)	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|O<2>}	C[5a](C[5a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(H){1|N<2>,1|N<3>,2|C<3>}	127.6095	0.350	2	127.6095	0.123	2	127.6095	0.123	2	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]B)(C[6a]C[6a]H)	C[5a](C[5a,5a]N[5a,5a,6]C[5a,6a])(C[5a]C[5a,6]C[6a])(H)	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]H)(C[6a]C[6a]2){1|B<3>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]B)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a,5a]N[5a,5a,6]C[5a,6a])(C[5a]C[5a,6]C[6a])(H){6|C<3>}	128.5230	0.000	1	128.5230	0.000	1	128.5230	0.000	1	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a,6]N[5a,6,6]N[6])(C[5a]C[5a,6]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6]N[5a,6,6]C[5a,6])(C[5a]C[5a,6]C[6a])(H)	C[5a](C[5a,6]N[5a,6,6]N[6])(C[5a]C[5a,6]H)(C[6a]C[6a]2){1|B<4>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a,6]N[5a,6,6]C[5a,6])(C[5a]C[5a,6]C[6a])(H){1|B<4>,1|N<2>,1|S<2>,3|C<3>}	125.8390	0.000	1	125.8390	0.000	1	125.8390	0.000	1	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Cl)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]Cl)(Cl)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Cl)(C[6a]C[6a]2){1|Cl<1>,1|B<4>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|Cl<1>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]Cl)(Cl){1|B<4>,3|C<3>}	123.7175	0.401	2	123.7175	0.161	2	123.7175	0.161	2	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]H)(H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>,4|C<4>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]H)(H){2|C<3>,2|C<4>}	122.8540	0.000	1	122.8540	0.000	1	127.0089	1.783	29	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(H){1|C<4>,5|C<3>}	125.8050	0.000	1	125.8050	0.000	1	127.0089	1.783	29	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]H)(H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|B<4>,3|C<3>,4|H<1>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]H)(H){1|B<4>,3|C<3>}	125.5500	0.000	1	125.9090	0.258	2	127.0089	1.783	29	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]H)(H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]H)(H){1|C<4>,3|C<3>}	126.2680	0.000	1	125.9090	0.258	2	127.0089	1.783	29	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(H)	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|B<4>,1|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,3|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(H){1|B<4>,1|N<2>,4|C<3>}	129.9620	0.000	1	129.9620	0.000	1	127.0089	1.783	29	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[5a])(H)	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|B<4>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[5a])(H){1|B<4>,1|N<2>,1|S<2>,3|C<3>}	126.3732	0.465	5	126.3732	0.217	5	127.0089	1.783	29	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(H)	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|B<4>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(H){1|B<4>,1|N<2>,4|C<3>}	127.4186	0.874	19	127.4186	0.764	19	127.0089	1.783	29	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a])(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(C[6a]C[6a]2){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a])(H){1|C<4>,5|C<3>}	122.5320	0.000	1	122.5320	0.000	1	124.7500	2.357	7	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(H){1|C<4>,3|C<3>}	124.9000	0.000	1	125.5274	0.854	5	124.7500	2.357	7	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(C[6a]C[6a]2){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(H){1|N<3>,3|C<3>}	125.3575	1.419	2	125.5274	0.854	5	124.7500	2.357	7	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(C[6a]C[6a]2){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(H){1|N<3>,3|C<3>}	125.5200	0.000	1	125.5274	0.854	5	124.7500	2.357	7	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(C[6a]C[6a]2){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(H){1|N<3>,3|C<3>}	126.5020	0.000	1	125.5274	0.854	5	124.7500	2.357	7	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6]C[5a,6]N[6,6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(H)	C[5a](C[5a,6]C[5a,6]N[6,6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{2|C<3>,2|N<3>,3|H<1>}	C[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(H){1|N<3>,3|C<3>}	123.0810	0.000	1	123.0810	0.000	1	124.7500	2.357	7	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:O-1:	C[5a](C[5a,6a]C[5a,6a,6a]C[6a,6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(O)	C[5a](C[5a,6a]C[5a,6a,6a]C[6a,6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(O){1|H<1>,5|C<3>}	119.5760	0.000	1	119.5760	0.000	1	119.5760	0.000	1	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])2(H){6|C<3>}	122.2510	0.000	1	122.2510	0.000	1	124.9709	5.238	8	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])2(H){6|C<3>}	124.1740	0.000	1	124.1740	0.000	1	124.9709	5.238	8	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]O)	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C[6a])(H)	C[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<2>,5|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]O){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C[6a])(H){6|C<3>}	130.0610	0.000	1	130.0610	0.000	1	124.9709	5.238	8	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C)(H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C)(H){4|C<3>}	124.6040	0.000	1	124.6040	0.000	1	124.9709	5.238	8	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C)(H){4|C<3>}	125.1620	0.035	2	125.1620	0.001	2	124.9709	5.238	8	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C[6a])(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C[6a])(H){6|C<3>}	123.3840	0.000	1	124.1765	1.256	2	124.9709	5.238	8	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C[6a])(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C[6a])(H){6|C<3>}	124.9690	0.000	1	124.1765	1.256	2	124.9709	5.238	8	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(H)	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]N[5a]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,2|N<2>,3|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(H){1|N<2>,5|C<3>}	124.1094	0.280	5	124.1094	0.079	5	125.5739	3.732	39	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(H){4|C<3>}	122.8000	0.000	1	122.8000	0.000	1	125.5739	3.732	39	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]O)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]O){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(H){4|C<3>}	129.5000	0.000	1	129.5000	0.000	1	125.5739	3.732	39	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(H){4|C<3>}	128.6940	0.000	1	128.6940	0.000	1	125.5739	3.732	39	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(H){4|C<3>}	127.2770	0.110	2	127.2770	0.012	2	125.5739	3.732	39	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]B)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|B<3>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]B)(H){4|C<3>}	127.9170	0.000	1	127.9170	0.000	1	125.5739	3.732	39	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(H){1|N<2>,3|C<3>}	126.3700	0.000	1	125.2226	0.770	8	125.5739	3.732	39	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(H){4|C<3>}	125.6920	0.000	1	125.2226	0.770	8	125.5739	3.732	39	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(H){4|C<3>}	124.8452	0.875	5	125.2226	0.770	8	125.5739	3.732	39	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(H){4|C<3>}	125.4930	0.000	1	125.2226	0.770	8	125.5739	3.732	39	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(H){1|N<2>,5|C<3>}	125.9910	0.000	1	123.9550	3.469	3	125.5739	3.732	39	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,2|N<2>,3|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(H){1|N<2>,5|C<3>}	122.9370	0.849	2	123.9550	3.469	3	125.5739	3.732	39	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|N<2>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(H){1|N<2>,3|C<3>}	125.2630	0.915	2	126.1811	2.798	15	125.5739	3.732	39	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|N<2>,3|C<3>,4|H<1>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(H){1|N<2>,3|C<3>}	126.9893	1.702	9	126.1811	2.798	15	125.5739	3.732	39	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){4|C<3>,4|H<1>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(H){4|C<3>}	124.9227	0.205	3	126.1811	2.798	15	125.5739	3.732	39	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){4|C<3>,4|H<1>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(H){4|C<3>}	124.5190	0.000	1	126.1811	2.798	15	125.5739	3.732	39	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|N<2>,1|S<4>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(H){1|N<2>,3|C<3>}	121.0360	0.000	1	121.0360	0.000	1	125.5739	3.732	39	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(H){1|N<2>,3|C<3>}	125.9710	0.000	1	125.9710	0.000	1	125.5739	3.732	39	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|I<1>,1|N<3>,7|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(H){4|C<3>}	128.1595	2.522	2	128.1595	6.362	2	127.6107	4.085	3	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]O)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|H<1>,1|N<3>,1|O<2>,1|S<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]O){1|N<3>,2|H<1>,6|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(H){4|C<3>}	126.5130	0.000	1	126.5130	0.000	1	127.6107	4.085	3	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[5a])	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,1|O<2>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[5a]){1|C<4>,1|N<3>,2|H<1>,7|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(H){4|C<3>}	128.5940	0.000	1	128.5940	0.000	1	128.5940	0.000	1	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]N[6a]H)(N[6a]C[6a]H)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H){1|N<2>,1|S<4>,3|C<3>,3|H<1>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]N[6a]H)(N[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(H){1|N<3>,3|C<3>}	126.9120	0.000	1	126.9120	0.000	1	126.9120	0.000	1	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[5,6a])(C[5a]N[5a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[5a]C[5a,6a]C[5a])	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[5,6a])(C[5a]N[5a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[5a]C[5a,6a]C[5a]){1|N<3>,2|C<4>,2|H<1>,7|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(H){4|C<3>}	127.7550	0.000	1	127.7550	0.000	1	127.7550	0.000	1	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(C[5a]N[5,5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5,5a]C[5,6a]N[5,5a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5,5a]H)(C[5a]N[5,5a]C)(C[6a]C[6a]2){1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5,5a]C[5,6a]N[5,5a])(C[5a]C[5a]C[6a])(H){1|C<4>,1|S<4>,4|C<3>}	127.0140	0.000	1	126.0335	1.923	2	126.0335	1.923	2	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(C[5a]N[5,5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5,5a]C[5,6a]N[5,5a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5,5a]H)(C[5a]N[5,5a]C)(C[6a]C[6a]2){1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5,5a]C[5,6a]N[5,5a])(C[5a]C[5a]C[6a])(H){1|S<4>,5|C<3>}	125.0530	0.000	1	126.0335	1.923	2	126.0335	1.923	2	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C[6a])(H){1|C<2>,1|C<4>,4|C<3>}	127.4110	0.000	1	125.2013	3.667	3	127.4531	3.081	11	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C[6a])(H){1|C<4>,5|C<3>}	124.0965	0.095	2	125.2013	3.667	3	127.4531	3.081	11	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(C[6a]C[6a]2){1|B<4>,1|C<2>,1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,4|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(H){1|B<4>,1|H<1>,4|C<3>}	128.6150	0.675	2	128.6150	0.455	2	127.4531	3.081	11	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]F)2	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(C[6a]C[6a]2){1|B<4>,2|F<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]F)2{1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(H){1|B<4>,1|H<1>,4|C<3>}	127.2060	0.000	1	127.2060	0.000	1	127.4531	3.081	11	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(C[6a]C[6a]2){1|B<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(H){1|B<4>,1|H<1>,4|C<3>}	128.4857	0.403	4	128.4857	0.163	4	127.4531	3.081	11	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]O)2	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(C[6a]C[6a]2){1|B<4>,2|O<2>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]O)2{1|N<3>,2|C<3>,4|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(H){1|B<4>,1|H<1>,4|C<3>}	128.0010	0.000	1	128.0010	0.000	1	127.4531	3.081	11	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:F-1:	C[5a](C[5a]C[5a,6a]F)(C[5a]N[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])(F)	C[5a](C[5a]C[5a,6a]F)(C[5a]N[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<2>,1|F<1>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])(F){1|C<2>,1|H<1>,4|C<3>}	127.6720	0.354	2	127.6720	0.125	2	127.6720	0.125	2	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|H<1>,5|C<3>}	126.1338	0.960	4	126.1338	0.921	4	125.8010	1.244	5	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|H<1>,5|C<3>}	124.4700	0.000	1	124.4700	0.000	1	125.8010	1.244	5	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(Br)	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]N)(C[6a]C[6a]2){1|Ir<6>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|Br<1>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(Br){1|Ir<6>,1|N<2>,4|C<3>}	131.0222	1.287	4	130.9020	1.032	6	130.9020	1.032	6	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(Br)	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]N)(C[6a]C[6a]2){1|Pt<5>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|Br<1>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(Br){1|Pt<5>,1|N<2>,4|C<3>}	130.6615	0.142	2	130.9020	1.032	6	130.9020	1.032	6	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a](C[5a]C[5a]Cl)(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(Cl)	C[5a](C[5a]C[5a]Cl)(C[5a]N[5a]N)(C[6a]C[6a]2){1|Pt<5>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|Cl<1>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(Cl){1|Pt<5>,1|N<2>,4|C<3>}	130.5840	0.089	2	130.5840	0.008	2	130.5840	0.008	2	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:F-1:	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]F)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(F)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]F)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|F<1>,1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(F){5|C<3>}	124.5540	0.000	1	124.5540	0.000	1	124.5540	0.000	1	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{2|C<3>,2|N<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,1|N<3>,4|C<3>}	126.9310	1.526	2	126.9310	2.328	2	125.3046	4.655	156	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<3>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|S<4>,3|C<3>}	124.9550	0.000	1	124.9550	0.000	1	125.3046	4.655	156	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){1|Ni<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(H){1|Ni<4>,1|N<3>,4|C<3>}	122.3680	0.000	1	122.6410	0.149	2	125.3046	4.655	156	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(H){1|S<2>,5|C<3>}	122.9140	0.000	1	122.6410	0.149	2	125.3046	4.655	156	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){1|C<4>,5|C<3>}	124.8930	1.440	2	124.2034	1.522	7	125.3046	4.655	156	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){6|C<3>}	124.6005	2.027	2	124.2034	1.522	7	125.3046	4.655	156	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,5|C<3>}	123.3450	0.007	2	124.2034	1.522	7	125.3046	4.655	156	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,5|C<3>}	123.7470	0.000	1	124.2034	1.522	7	125.3046	4.655	156	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(H){1|C<4>,1|S<4>,2|C<3>}	124.4480	0.000	1	126.0657	1.447	4	125.3046	4.655	156	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(H){4|C<3>}	126.1270	0.000	1	126.0657	1.447	4	125.3046	4.655	156	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,3|C<3>}	126.8440	0.714	2	126.0657	1.447	4	125.3046	4.655	156	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[5])(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[5])(H){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	125.8820	0.000	1	125.8820	0.000	1	125.3046	4.655	156	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]O)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]O)(H){1|C<4>,3|C<3>}	122.2860	0.000	1	122.2860	0.000	1	125.3046	4.655	156	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]F)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){1|Si<4>,1|H<1>,2|C<3>,2|F<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]F)2{1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|Si<4>,1|H<1>,2|C<3>}	127.5120	0.000	1	127.5120	0.000	1	125.3046	4.655	156	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,5|C<3>}	127.1925	0.047	2	127.6490	0.626	3	125.3046	4.655	156	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){2|H<1>,4|C<3>}	128.5620	0.000	1	127.6490	0.626	3	125.3046	4.655	156	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	127.0890	0.409	2	127.0004	0.170	5	125.3046	4.655	156	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,4|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(H){2|C<3>,2|H<1>}	126.7930	0.597	2	127.0004	0.170	5	125.3046	4.655	156	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(H){2|C<3>,2|H<1>}	127.2380	0.000	1	127.0004	0.170	5	125.3046	4.655	156	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){1|S<4>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,1|S<4>,2|C<3>}	126.2280	0.000	1	126.2280	0.000	1	125.3046	4.655	156	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2){1|Ag<3>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){1|Ag<3>,1|N<2>,4|C<3>}	126.3485	1.041	6	126.8448	0.888	59	125.3046	4.655	156	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2){1|Cu<3>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){1|Cu<3>,1|N<2>,4|C<3>}	127.0793	1.165	8	126.8448	0.888	59	125.3046	4.655	156	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2){1|Cu<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){1|Cu<4>,1|N<2>,4|C<3>}	126.7665	0.388	2	126.8448	0.888	59	125.3046	4.655	156	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2){1|Ir<6>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){1|Ir<6>,1|N<2>,4|C<3>}	127.6255	1.039	2	126.8448	0.888	59	125.3046	4.655	156	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2){1|Pd<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){1|Pd<4>,1|N<2>,4|C<3>}	126.6065	1.248	2	126.8448	0.888	59	125.3046	4.655	156	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2){1|Re<6>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){1|Re<6>,1|N<2>,4|C<3>}	126.1965	0.624	4	126.8448	0.888	59	125.3046	4.655	156	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2){1|Rh<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){1|Rh<4>,1|N<2>,4|C<3>}	126.7901	0.776	8	126.8448	0.888	59	125.3046	4.655	156	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2){1|Rh<6>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){1|Rh<6>,1|N<2>,4|C<3>}	127.4525	1.295	4	126.8448	0.888	59	125.3046	4.655	156	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2){1|Ru<6>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){1|Ru<6>,1|N<2>,4|C<3>}	125.8785	0.135	2	126.8448	0.888	59	125.3046	4.655	156	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2){1|Zn<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){1|Zn<4>,1|N<2>,4|C<3>}	127.0821	0.849	15	126.8448	0.888	59	125.3046	4.655	156	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,1|N<2>,4|C<3>}	126.7030	0.896	6	126.8448	0.888	59	125.3046	4.655	156	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2){1|Ni<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(H){1|Ni<4>,1|N<2>,2|C<3>}	128.1960	0.608	4	128.1960	0.370	4	125.3046	4.655	156	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[5])(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[5])(H){1|Fe<10>,1|H<1>,1|N<2>,2|C<3>,2|C<4>}	126.7790	0.000	1	126.7790	0.000	1	125.3046	4.655	156	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(C[6a]C[6a]2){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(H){5|C<3>}	124.3060	2.021	2	124.3060	4.084	2	125.3046	4.655	156	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(C[6a]C[6a]2){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)(H){3|C<3>}	124.3985	1.767	2	124.3985	3.123	2	125.3046	4.655	156	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(C[6a]C[6a]2){2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]H)(H){3|C<3>}	125.8620	0.000	1	125.8620	0.000	1	125.3046	4.655	156	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]O[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]N)(C[6a]C[6a]2){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(H){1|N<2>,4|C<3>}	125.5620	0.000	1	125.5620	0.000	1	125.3046	4.655	156	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6a]C[6a]2){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a])(H){1|C<4>,4|C<3>}	123.4840	0.000	1	123.4840	0.000	1	125.3046	4.655	156	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6a]C[6a]2){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]H)(H){1|C<4>,2|C<3>}	123.1720	0.000	1	124.4800	2.568	4	125.3046	4.655	156	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6a]C[6a]2){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|S<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]H)(H){3|C<3>}	123.0480	0.000	1	124.4800	2.568	4	125.3046	4.655	156	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6a]C[6a]2){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|S<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]H)(H){1|C<4>,2|C<3>}	125.8500	0.434	2	124.4800	2.568	4	125.3046	4.655	156	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]F)2	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6a]C[6a]2){1|H<1>,2|C<3>,2|F<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]F)2{1|H<1>,1|S<2>,2|F<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]H)(H){3|C<3>}	122.6030	0.000	1	122.6030	0.000	1	125.3046	4.655	156	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6a]C[6a]2){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|S<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a])(H){5|C<3>}	122.4450	0.000	1	122.4450	0.000	1	125.3046	4.655	156	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(C[6a]C[6a]2){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|B<4>,1|S<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]H)(H){1|H<1>,2|C<3>}	125.6340	0.000	1	125.6340	0.000	1	125.3046	4.655	156	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(C[6a]C[6a]2){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|Cl<1>,1|S<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)(H){1|H<1>,2|C<3>}	127.0480	0.000	1	127.0480	0.000	1	125.3046	4.655	156	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|S<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]H)(H){3|C<3>}	121.1933	0.429	4	121.5968	0.261	18	125.3046	4.655	156	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<2>,1|S<2>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|S<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]H)(H){3|C<3>}	121.7121	0.484	14	121.5968	0.261	18	125.3046	4.655	156	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]O)2	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,1|S<2>,2|O<2>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]O)2{1|S<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]H)(H){3|C<3>}	121.6843	0.290	3	121.6843	0.084	3	125.3046	4.655	156	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,5|C<3>}	124.3760	0.000	1	124.3760	0.000	1	125.3046	4.655	156	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,5|C<3>}	125.3225	1.217	2	125.4147	0.766	3	125.3046	4.655	156	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,5|C<3>}	125.5990	0.000	1	125.4147	0.766	3	125.3046	4.655	156	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,3|C<3>}	123.9530	0.000	1	123.9530	0.000	1	125.3046	4.655	156	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){4|C<3>,4|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,3|C<3>}	124.0020	0.000	1	124.0020	0.000	1	125.3046	4.655	156	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(H)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(H){5|C<3>}	124.8508	1.259	4	124.8508	1.584	4	125.3046	4.655	156	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)(H)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)(H){3|C<3>}	125.3450	0.000	1	125.3450	0.000	1	125.3046	4.655	156	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]H)(H)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]H)(H){3|C<3>}	123.9220	0.000	1	123.9220	0.000	1	125.3046	4.655	156	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(C[6a]C[6a]2){1|S<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,3|C<3>}	124.4770	0.000	1	124.4770	0.000	1	125.3046	4.655	156	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|Ir<6>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){1|Ir<6>,5|C<3>}	124.1430	1.130	2	124.6261	1.418	11	125.3046	4.655	156	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|Ni<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){1|Ni<4>,5|C<3>}	125.7690	1.576	3	124.6261	1.418	11	125.3046	4.655	156	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,5|C<3>}	124.4345	1.078	2	124.6261	1.418	11	125.3046	4.655	156	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|Pt<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){1|Pt<4>,5|C<3>}	125.0180	0.000	1	124.6261	1.418	11	125.3046	4.655	156	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|Pt<5>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){1|Pt<5>,5|C<3>}	123.9450	0.000	2	124.6261	1.418	11	125.3046	4.655	156	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|Rh<6>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){1|Rh<6>,5|C<3>}	123.5170	0.000	1	124.6261	1.418	11	125.3046	4.655	156	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])(H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|Pt<5>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])(H){1|Pt<5>,1|C<4>,4|C<3>}	124.5940	0.000	2	124.5940	0.000	2	125.3046	4.655	156	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|S<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a])(H){5|C<3>}	121.4530	0.124	2	121.4530	0.015	2	125.3046	4.655	156	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:I-1:	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]I)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(I)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]I)(C[6a]C[6a]2){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|I<1>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(I){1|H<1>,5|C<3>}	127.4990	1.718	4	127.4990	2.950	4	127.4990	2.950	4	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:Cl-1:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]Cl)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(Cl)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]Cl)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|Cl<1>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(Cl){4|C<3>}	127.9713	0.433	3	127.9713	0.187	3	127.9713	0.187	3	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H){1|C<2>,1|H<1>,2|C<3>}	126.8740	3.152	2	126.8740	9.937	2	125.5522	4.429	70	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H){1|C<4>,1|P<4>,2|C<3>}	122.6580	0.000	1	124.3939	2.510	8	125.5522	4.429	70	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H){1|C<4>,3|C<3>}	125.8935	1.709	2	124.3939	2.510	8	125.5522	4.429	70	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H){4|C<3>}	125.0030	0.000	1	124.3939	2.510	8	125.5522	4.429	70	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2){1|Sn<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H){1|Sn<4>,3|C<3>}	125.7380	0.000	1	124.3939	2.510	8	125.5522	4.429	70	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H){1|C<4>,3|C<3>}	122.9180	0.728	2	124.3939	2.510	8	125.5522	4.429	70	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H){1|C<4>,3|C<3>}	124.1290	0.000	1	124.3939	2.510	8	125.5522	4.429	70	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(H){1|C<4>,5|C<3>}	123.4685	0.605	4	123.8990	1.712	6	125.5522	4.429	70	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(H){1|S<2>,5|C<3>}	124.7600	2.288	2	123.8990	1.712	6	125.5522	4.429	70	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2){2|C<3>,4|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	125.8680	0.000	1	124.1908	2.156	6	125.5522	4.429	70	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2){2|C<3>,4|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H){1|H<1>,3|C<3>}	124.1400	0.000	1	124.1908	2.156	6	125.5522	4.429	70	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H){4|C<3>}	121.4740	0.000	1	124.1908	2.156	6	125.5522	4.429	70	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H){4|C<3>}	124.5543	0.305	3	124.1908	2.156	6	125.5522	4.429	70	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]C[3])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]C)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S)(H)	C[5a](C[5a]C[5a]C[3])(C[5a]N[5a]H)(C[6a]C[6a]2){1|H<1>,1|S<4>,3|C<3>,4|C<4>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S)(H){1|C<4>,1|H<1>,2|C<3>}	125.7380	0.000	1	125.7380	0.000	1	125.5522	4.429	70	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H){1|H<1>,3|C<3>}	122.9595	0.746	2	123.2078	0.420	4	125.5522	4.429	70	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H){1|H<1>,3|C<3>}	123.4560	0.676	2	123.2078	0.420	4	125.5522	4.429	70	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(H){1|C<4>,5|C<3>}	124.2450	0.000	1	124.1733	0.464	3	125.5522	4.429	70	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(H){1|H<1>,5|C<3>}	124.1375	0.960	2	124.1733	0.464	3	125.5522	4.429	70	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|N<2>,3|C<3>,4|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|Cl<1>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H){1|H<1>,3|C<3>}	123.6860	0.000	1	123.4958	0.228	4	125.5522	4.429	70	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H){4|C<3>}	123.4323	0.564	3	123.4958	0.228	4	125.5522	4.429	70	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S)(H)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|S<4>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S)(H){4|C<3>}	125.5120	0.000	1	125.5120	0.000	1	125.5522	4.429	70	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]F)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Si)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){1|Si<4>,1|H<1>,2|C<3>,2|F<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]F)2{1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Si)(H){2|C<3>,2|H<1>}	126.4790	0.000	1	126.4790	0.000	1	125.5522	4.429	70	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H){1|H<1>,3|C<3>}	127.3505	0.627	2	127.3505	0.393	2	125.5522	4.429	70	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(H){1|H<1>,5|C<3>}	126.6995	0.627	2	126.6995	0.393	2	125.5522	4.429	70	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,4|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H){1|H<1>,3|C<3>}	127.3755	0.459	2	126.7032	0.734	4	125.5522	4.429	70	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H){1|H<1>,3|C<3>}	126.0310	0.427	2	126.7032	0.734	4	125.5522	4.429	70	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){1|S<4>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S)(H){2|C<3>,2|H<1>}	127.0950	0.000	1	127.0950	0.000	1	125.5522	4.429	70	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{2|C<3>,2|N<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H){1|N<3>,3|C<3>}	123.1890	0.000	1	123.1890	0.000	1	125.5522	4.429	70	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{2|C<3>,2|N<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(H){2|N<3>,4|C<3>}	123.6077	0.247	3	123.6077	0.061	3	125.5522	4.429	70	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]N[5])(C[5a]N[5a]H)(C[6a]C[6a]2){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{2|C<3>,2|N<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H){1|N<3>,3|C<3>}	125.5280	0.000	1	125.8917	0.517	3	125.5522	4.429	70	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]N[5])(C[5a]N[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{2|C<3>,2|N<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H){1|N<3>,3|C<3>}	126.0735	0.914	2	125.8917	0.517	3	125.5522	4.429	70	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]N[6])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]N[6])(C[5a]N[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{2|C<3>,2|N<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H){1|N<3>,3|C<3>}	124.9030	0.000	1	124.9030	0.000	1	125.5522	4.429	70	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]S)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]S)(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,1|S<4>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H){1|C<4>,1|S<4>,2|C<3>}	125.8620	0.000	1	125.8620	0.000	1	125.5522	4.429	70	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]S)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S)(H)	C[5a](C[5a]C[5a]S)(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,1|S<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S)(H){1|C<4>,1|S<2>,2|C<3>}	124.3590	0.000	1	124.3590	0.000	1	125.5522	4.429	70	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H)(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H)(H){3|C<3>}	127.0000	0.000	1	127.0000	0.000	1	125.5522	4.429	70	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)2(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]F)2	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]H)2(C[6a]C[6a]2){1|H<1>,2|C<3>,2|F<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]F)2{1|C<3>,1|N<2>,1|N<3>,2|F<1>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H)(H){1|H<1>,2|C<3>}	127.8823	0.524	6	127.8823	0.275	6	125.5522	4.429	70	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)2(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C[6])(H)	C[5a](C[5a]N[5a]H)2(C[6a]C[6a]2){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C[6])(H){2|C<3>,2|C<4>,2|H<1>}	128.8370	0.000	1	128.8370	0.000	1	125.5522	4.429	70	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)2(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)2(C[6a]C[6a]2){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,4|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)(H){1|H<1>,2|C<3>}	128.6497	0.623	4	128.8860	0.649	7	125.5522	4.429	70	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)2(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)2(C[6a]C[6a]2){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)(H){1|H<1>,2|C<3>}	129.2010	1.051	3	128.8860	0.649	7	125.5522	4.429	70	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(C[6a]C[6a]2){1|B<4>,1|C<2>,1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,4|H<1>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6a])(H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	125.9195	0.507	2	125.9195	0.257	2	126.4215	0.768	8	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]F)2	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(C[6a]C[6a]2){1|B<4>,2|F<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]F)2{1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6a])(H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	128.0910	0.000	1	128.0910	0.000	1	126.4215	0.768	8	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(C[6a]C[6a]2){1|B<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6a])(H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	126.0060	0.221	4	126.0060	0.049	4	126.4215	0.768	8	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]O)2	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(C[6a]C[6a]2){1|B<4>,2|O<2>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]O)2{1|N<3>,2|C<3>,4|H<1>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6a])(H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	127.4180	0.000	1	127.4180	0.000	1	126.4215	0.768	8	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(H){6|C<3>}	124.9135	1.173	2	124.9135	1.376	2	123.6275	2.681	4	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|H<1>,5|C<3>}	122.3415	0.224	2	122.3415	0.050	2	123.6275	2.681	4	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]B)(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]B)(C[6a]C[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|B<3>,1|F<1>,1|S<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]H)(H){1|B<3>,2|C<3>}	121.1995	0.763	2	121.1995	0.582	2	123.0011	1.693	16	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]F)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6a]C[6a]2){1|F<1>,4|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]F){1|C<4>,1|H<1>,1|S<2>,2|F<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a])(H){1|C<4>,4|C<3>}	121.7265	0.381	2	121.7265	0.145	2	123.0011	1.693	16	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6a]C[6a]2){1|H<1>,4|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<4>,1|S<2>,3|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a])(H){1|C<4>,4|C<3>}	123.2620	1.177	2	123.2620	1.384	2	123.0011	1.693	16	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6a]C[6a]2){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|S<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)(H){1|C<4>,2|C<3>}	124.6380	0.533	2	124.6380	0.284	2	123.0011	1.693	16	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6a]C[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|O<2>,1|S<2>,2|H<1>,5|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]H)(H){3|C<3>}	121.8255	0.037	2	121.8255	0.001	2	123.0011	1.693	16	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(C[6a]C[6a]2){2|C<3>,3|H<1>}	C[6a](C[6a]C[5,6a]H)(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<4>,1|S<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]H)(H){1|H<1>,2|C<3>}	124.5430	0.000	1	124.5430	0.000	1	123.0011	1.693	16	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(C[6a]C[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[5a]C[5a]2)(C[6a]C[6a]H){1|S<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)(H){1|H<1>,2|C<3>}	124.2010	0.000	1	124.2010	0.000	1	123.0011	1.693	16	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]S)(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]S)(C[6a]C[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|O<2>,1|S<2>,1|S<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]H)(H){1|S<3>,2|C<3>}	123.3180	0.202	2	123.4928	0.072	4	123.0011	1.693	16	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]S)(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]S)(C[6a]C[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|O<2>,2|H<1>,2|S<2>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]H)(H){1|S<2>,2|C<3>}	123.6675	0.233	2	123.4928	0.072	4	123.0011	1.693	16	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)2(C[6a]C[6a]2){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5,6a]H)(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)(H){1|H<1>,2|C<3>}	128.2380	0.127	2	128.2380	0.016	2	128.2380	0.016	2	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2){1|Cl<1>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(C[5a]C[5a]2){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(H){1|H<1>,5|C<3>}	125.5930	0.000	1	125.5930	0.000	1	125.5930	0.000	1	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a]Br)(C[6a]C[6a]2)(N[5a]N[5a]B)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]Br)(Br)	C[5a](C[5a]C[5a]Br)(C[6a]C[6a]2)(N[5a]N[5a]B){1|Br<1>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Br<1>,1|B<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]Br)(Br){1|B<4>,2|C<3>}	129.5043	1.244	3	129.5043	1.547	3	129.5043	1.547	3	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:F-1:	C[5a](C[5a]C[5a]F)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]F)(F)	C[5a](C[5a]C[5a]F)(C[6a]C[6a]2)(N[5a]C[5a]H){1|F<1>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|F<1>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]F)(F){1|H<1>,3|C<3>}	130.0040	0.201	3	130.0040	0.040	3	130.0040	0.040	3	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,2|N<2>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	127.7630	0.069	2	127.7630	0.005	2	129.8565	2.847	229	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){2|C<3>,2|C<4>}	127.9300	0.000	1	127.9300	0.000	1	129.8565	2.847	229	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<4>,1|N<2>,2|C<3>}	128.0240	0.000	1	128.0240	0.000	1	129.8565	2.847	229	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){1|C<4>,5|C<3>}	128.7550	0.577	2	128.7550	0.333	2	129.8565	2.847	229	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){4|C<3>}	128.2510	0.000	1	126.8035	4.191	2	129.8565	2.847	229	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	125.3560	0.000	1	126.8035	4.191	2	129.8565	2.847	229	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]F)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<2>,1|F<1>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]F)(H){1|C<2>,1|C<4>,2|C<3>}	123.9240	0.000	1	123.9240	0.000	1	129.8565	2.847	229	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<4>,1|N<3>,2|C<3>}	126.0140	0.000	1	127.0180	0.606	5	129.8565	2.847	229	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,2|O<2>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<4>,3|C<3>}	126.9920	0.348	3	127.0180	0.606	5	129.8565	2.847	229	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){4|C<3>}	128.1000	0.000	1	127.0180	0.606	5	129.8565	2.847	229	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]I)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C){1|I<1>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]I)(H){1|H<1>,3|C<3>}	128.1020	0.000	1	128.1020	0.000	1	129.8565	2.847	229	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,4|C<3>,4|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	130.8970	1.383	2	129.8465	2.130	4	129.8565	2.847	229	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]C[6a])(C[6a]C[6a]H){2|N<2>,3|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	128.7960	0.252	2	129.8465	2.130	4	129.8565	2.847	229	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){4|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	129.2620	0.000	1	129.2620	0.000	1	129.8565	2.847	229	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){1|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)2{4|H<1>,7|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	131.5200	0.000	1	131.5200	0.000	1	129.8565	2.847	229	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2{3|C<3>,4|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	132.6440	1.446	3	130.8509	3.805	8	129.8565	2.847	229	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2{3|C<3>,4|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	129.7750	1.325	5	130.8509	3.805	8	129.8565	2.847	229	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,4|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,1|N<2>,4|C<3>}	128.1720	0.262	2	128.1720	0.068	2	129.8565	2.847	229	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	129.5230	1.498	2	128.3524	1.909	14	129.8565	2.847	229	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	128.8716	1.766	5	128.3524	1.909	14	129.8565	2.847	229	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	127.5394	0.710	5	128.3524	1.909	14	129.8565	2.847	229	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,4|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	127.9160	0.564	2	128.3524	1.909	14	129.8565	2.847	229	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<3>,1|N<2>,4|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	130.5860	0.000	1	130.5860	0.000	1	129.8565	2.847	229	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,1|N<2>,4|C<3>}	129.3185	1.393	4	130.2956	2.141	16	129.8565	2.847	229	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,4|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,1|N<3>,4|C<3>}	131.0470	0.000	1	130.2956	2.141	16	129.8565	2.847	229	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,1|N<3>,4|C<3>}	131.6870	0.000	1	130.2956	2.141	16	129.8565	2.847	229	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,5|C<3>}	130.2839	1.435	9	130.2956	2.141	16	129.8565	2.847	229	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){2|H<1>,4|C<3>}	132.1670	0.000	1	130.2956	2.141	16	129.8565	2.847	229	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2)(H){1|H<1>,1|S<2>,4|C<3>}	130.2240	0.000	1	130.2240	0.000	1	129.8565	2.847	229	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	130.9050	0.000	1	130.4620	0.982	9	129.8565	2.847	229	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	130.9120	0.000	1	130.4620	0.982	9	129.8565	2.847	229	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	130.9000	0.000	1	130.4620	0.982	9	129.8565	2.847	229	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	130.0356	1.195	5	130.4620	0.982	9	129.8565	2.847	229	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Br<1>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	131.2630	0.000	1	130.4620	0.982	9	129.8565	2.847	229	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	130.4010	0.269	2	129.9710	0.907	53	129.8565	2.847	229	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){2|C<3>,4|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,4|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	130.0512	0.191	4	129.9710	0.907	53	129.8565	2.847	229	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){2|C<3>,4|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	131.2860	0.000	1	129.9710	0.907	53	129.8565	2.847	229	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	129.9150	0.652	2	129.9710	0.907	53	129.8565	2.847	229	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	129.1230	0.567	2	129.9710	0.907	53	129.8565	2.847	229	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,2|O<2>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	129.5549	0.683	8	129.9710	0.907	53	129.8565	2.847	229	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	130.0486	1.070	34	129.9710	0.907	53	129.8565	2.847	229	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N[6])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N[6])(H){1|H<1>,2|C<4>,3|C<3>}	128.2425	0.701	2	128.2425	0.491	2	129.8565	2.847	229	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]N)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]N){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){1|C<4>,1|N<3>,2|C<3>}	130.3520	0.000	1	130.3520	0.000	1	129.8565	2.847	229	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]O)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){1|H<1>,1|O<2>,2|C<3>}	130.7950	0.000	1	130.7950	0.000	1	129.8565	2.847	229	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]S)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]S){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|S<4>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){1|H<1>,1|S<4>,2|C<3>}	128.9045	0.842	2	128.9045	0.709	2	129.8565	2.847	229	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]S)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]S)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]S){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|S<4>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]S)(H){1|S<4>,3|C<3>}	127.1160	0.000	1	127.1160	0.000	1	129.8565	2.847	229	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]B)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]B){2|C<3>,3|C<4>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|B<4>,1|N<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){1|B<4>,2|C<3>}	129.0430	0.000	1	129.0430	0.000	1	129.8565	2.847	229	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){1|C<4>,2|C<3>}	132.3360	0.000	1	132.3360	0.000	1	129.8565	2.847	229	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[6a]N[5a])2(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])2(H){1|C<4>,4|C<3>}	129.6204	1.449	8	128.9710	3.527	10	129.8565	2.847	229	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[6a]N[5a])2(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])2(H){5|C<3>}	126.3735	0.424	2	128.9710	3.527	10	129.8565	2.847	229	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){1|C<4>,2|C<3>}	129.7120	0.322	2	127.8962	2.061	6	129.8565	2.847	229	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){1|C<4>,2|C<3>}	126.9882	0.322	4	127.8962	2.061	6	129.8565	2.847	229	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){1|C<4>,2|C<3>}	126.1580	0.000	1	126.1580	0.000	1	129.8565	2.847	229	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(H){4|C<3>}	127.7260	0.000	1	127.7260	0.000	1	129.8565	2.847	229	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])2(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])2(H){1|C<4>,1|N<2>,3|C<3>}	130.9890	0.986	2	129.5729	2.225	21	129.8565	2.847	229	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])2(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])2(H){1|C<4>,4|C<3>}	129.8013	1.481	13	129.5729	2.225	21	129.8565	2.847	229	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])2(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])2(H){5|C<3>}	128.6060	1.175	6	129.5729	2.225	21	129.8565	2.847	229	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])2(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])2(H){1|H<1>,4|C<3>}	131.6100	0.000	1	131.6100	0.000	1	129.8565	2.847	229	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	134.6410	0.000	1	134.6410	0.000	1	129.8565	2.847	229	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|C<3>,4|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	130.8450	0.000	1	130.8450	0.000	1	129.8565	2.847	229	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[6a]N[5a])2(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|C<3>,4|H<1>}	C[5a](C[5a]C[6a]N[5a])2(H){1|H<1>,4|C<3>}	130.2930	0.117	2	130.2930	0.014	2	129.8565	2.847	229	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5a](C[5a]C[6a]N[5a])2(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|N<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])2(H){1|H<1>,4|C<3>}	130.9820	0.000	1	130.9820	0.000	1	129.8565	2.847	229	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,4|H<1>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])(H){1|H<1>,1|O<2>,3|C<3>}	130.9467	0.586	3	130.9467	0.344	3	129.8565	2.847	229	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]2)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,4|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]2)(H){1|H<1>,1|N<2>,3|C<3>}	130.4280	0.000	1	130.4280	0.000	1	129.8565	2.847	229	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,4|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	131.9210	0.000	1	131.1930	0.870	11	129.8565	2.847	229	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Br<1>,1|N<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	132.2120	0.000	1	131.1930	0.870	11	129.8565	2.847	229	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,4|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	130.9989	0.921	9	131.1930	0.870	11	129.8565	2.847	229	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H){2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,4|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	130.4590	0.462	4	130.4590	0.214	4	129.8565	2.847	229	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,4|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)(H){1|H<1>,2|C<3>}	132.0500	0.000	1	130.7602	0.650	10	129.8565	2.847	229	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,4|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)(H){1|H<1>,2|C<3>}	130.6169	0.708	9	130.7602	0.650	10	129.8565	2.847	229	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(H){1|H<1>,3|C<3>}	128.1380	0.000	1	128.1380	0.000	1	129.8565	2.847	229	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])2(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,2|N<2>,4|H<1>}	C[5a](C[5a]C[6a]N[5a])2(H){1|H<1>,4|C<3>}	131.4090	0.000	1	131.8652	0.655	17	129.8565	2.847	229	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])2(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])2(H){1|H<1>,4|C<3>}	130.7050	0.000	1	131.8652	0.655	17	129.8565	2.847	229	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])2(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])2(H){1|H<1>,4|C<3>}	132.3790	0.000	1	131.8652	0.655	17	129.8565	2.847	229	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])2(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|H<1>,2|O<2>}	C[5a](C[5a]C[6a]N[5a])2(H){1|H<1>,4|C<3>}	132.7640	0.000	1	131.8652	0.655	17	129.8565	2.847	229	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])2(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,4|H<1>}	C[5a](C[5a]C[6a]N[5a])2(H){1|H<1>,4|C<3>}	131.9038	0.841	12	131.8652	0.655	17	129.8565	2.847	229	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])2(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])2(H){1|H<1>,1|N<2>,3|C<3>}	131.6070	0.000	1	131.8652	0.655	17	129.8565	2.847	229	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]P)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])2(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]P){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|P<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])2(H){1|P<3>,4|C<3>}	130.0675	1.764	2	130.0675	3.113	2	129.8565	2.847	229	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]O)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]C){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]O)(H){1|C<4>,2|C<3>}	128.5940	0.000	1	128.5940	0.000	1	129.8565	2.847	229	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:I-1:	C[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(I)	C[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|I<1>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(I){1|C<4>,1|H<1>,2|C<3>}	131.7080	0.000	1	131.7080	0.000	1	131.3903	2.414	6	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:I-1:	C[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(I)	C[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|I<1>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(I){1|H<1>,5|C<3>}	131.8525	1.463	4	131.8525	2.141	4	131.3903	2.414	6	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:I-1:	C[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])2(I)	C[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]N[5a]C){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|I<1>,1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])2(I){5|C<3>}	129.2240	0.000	1	129.2240	0.000	1	131.3903	2.414	6	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)(H){1|C<4>,1|O<1>,2|C<3>}	123.8270	0.000	1	123.8270	0.000	1	129.5836	6.551	7	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)(H){1|H<1>,1|O<1>,2|C<3>}	130.5430	0.359	6	130.5430	0.129	6	129.5836	6.551	7	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(N[5a]C[5a,5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]C[5a,5a]H)(N[5a]C[5a,5a]C)(C[6a]C[6a]2){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]N[5a])(H){1|H<1>,1|S<2>,4|C<3>}	127.9740	0.000	1	127.9740	0.000	1	127.9740	0.000	1	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(H){1|H<1>,2|C<3>,4|C<4>}	129.2430	0.000	1	130.8950	5.458	2	130.0470	4.886	3	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<2>,3|C<3>,3|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(H){1|H<1>,2|C<2>,3|C<3>}	132.5470	0.000	1	130.8950	5.458	2	130.0470	4.886	3	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]S)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]S)(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|S<4>,3|C<3>,3|H<1>}	C[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]C[6a]N[5a])(H){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	128.3510	0.000	1	128.3510	0.000	1	130.0470	4.886	3	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|C<4>,1|H<1>,4|C<3>}	131.5800	0.000	1	131.5800	0.000	1	128.7418	2.430	52	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){1|H<1>,1|P<3>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|C<4>,1|H<1>,4|C<3>}	128.3950	0.000	1	128.3950	0.000	1	128.7418	2.430	52	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|C<4>,2|N<2>,3|C<3>}	127.3580	0.000	1	128.4621	2.158	19	128.7418	2.430	52	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<2>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|C<2>,1|H<1>,4|C<3>}	131.0680	0.885	2	128.4621	2.158	19	128.7418	2.430	52	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|C<4>,1|H<1>,4|C<3>}	128.1087	0.933	6	128.4621	2.158	19	128.7418	2.430	52	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|C<4>,5|C<3>}	127.2203	1.535	3	128.4621	2.158	19	128.7418	2.430	52	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,5|C<3>}	128.7104	1.182	7	128.4621	2.158	19	128.7418	2.430	52	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|C<3>,2|H<1>,2|N<2>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H){1|C<4>,1|N<2>,3|C<3>}	127.1935	0.063	2	127.1935	0.004	2	128.7418	2.430	52	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){2|H<1>,4|C<3>}	130.3895	1.416	2	130.3895	2.006	2	128.7418	2.430	52	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,1|O<2>,4|C<3>}	128.2300	0.000	1	128.2300	0.000	1	128.7418	2.430	52	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[6a]N[5a])(H){1|H<1>,5|C<3>}	129.0845	0.291	2	129.0845	0.084	2	128.7418	2.430	52	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|N<2>,2|H<1>,3|C<3>}	128.9505	0.243	2	129.7903	1.336	13	128.7418	2.430	52	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,2|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|N<2>,2|H<1>,3|C<3>}	128.6800	0.000	1	129.7903	1.336	13	128.7418	2.430	52	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){2|H<1>,4|C<3>}	129.8565	0.589	2	129.7903	1.336	13	128.7418	2.430	52	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|N<2>,2|H<1>,3|C<3>}	129.9570	0.000	1	129.7903	1.336	13	128.7418	2.430	52	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){2|H<1>,4|C<3>}	130.1461	1.418	7	129.7903	1.336	13	128.7418	2.430	52	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]N)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,1|N<3>,4|C<3>}	130.7120	0.000	1	130.7120	0.000	1	128.7418	2.430	52	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]P)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]C[6a])(C[6a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]P)(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]C[6a])(C[6a]C[5a,6a]H){1|N<2>,1|N<3>,1|P<3>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,1|P<3>,4|C<3>}	126.0390	0.100	2	126.0390	0.010	2	128.7418	2.430	52	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]P)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]P)(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,1|P<3>,3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,1|P<3>,4|C<3>}	126.9960	0.062	2	126.9960	0.004	2	128.7418	2.430	52	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|S<4>,3|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,1|S<4>,4|C<3>}	126.9270	0.000	1	126.9270	0.000	1	128.7418	2.430	52	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,1|S<4>,4|C<3>}	129.0480	0.959	2	129.0480	0.919	2	128.7418	2.430	52	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|S<4>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,1|S<4>,4|C<3>}	127.6450	0.000	1	127.7250	0.083	3	128.7418	2.430	52	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|S<4>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|N<3>,1|S<4>,4|C<3>}	127.7650	0.396	2	127.7250	0.083	3	128.7418	2.430	52	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]Ir)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(Br)	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]Ir)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Br<1>,1|Ir<6>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(Br){1|Ir<6>,1|N<2>,4|C<3>}	123.8997	1.189	4	123.8997	1.414	4	126.0170	11.647	6	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]Pt)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(Br)	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]Pt)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Br<1>,1|Pt<5>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(Br){1|Pt<5>,1|N<2>,4|C<3>}	130.2515	0.449	2	130.2515	0.202	2	126.0170	11.647	6	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a](C[5a]C[5a]Cl)(N[5a]C[5a]Pt)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(Cl)	C[5a](C[5a]C[5a]Cl)(N[5a]C[5a]Pt)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Cl<1>,1|Pt<5>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(Cl){1|Pt<5>,1|N<2>,4|C<3>}	128.0290	0.287	2	128.0290	0.082	2	128.0290	0.082	2	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	130.3080	0.000	1	130.3080	0.000	1	130.3080	0.000	1	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[5,6a]C[6a])(C[5a]C[5a]H)(C[5a]O[5a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)(H)	C[5a](C[6a]C[5,6a]C[6a])(C[5a]C[5a]H)(C[5a]O[5a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|O<2>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)(H){1|C<4>,2|C<3>}	125.7600	0.000	1	125.7600	0.000	1	125.7600	0.000	1	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[6a]C[5,6a]C[6a])(C[5a]C[5a]C)(C[5a]N[5a]H)	C[6a](C[5,6a]C[5,6a]O[5])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H)	C[5a](C[6a]C[5,6a]C[6a])(C[5a]C[5a]C)(C[5a]N[5a]H){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H){1|C<2>,1|H<1>,2|C<3>}	126.8040	0.000	1	126.8040	0.000	1	126.8040	0.000	1	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]Cl)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,2|N<2>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]Cl)(C[5a]C[5a]2){1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	130.5380	0.000	1	130.5380	0.000	1	127.0735	24.006	2	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[5a]S[5a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]H)(H)	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[5a]S[5a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]2){1|S<2>,2|H<1>,5|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]H)(H){1|H<1>,2|C<3>}	123.6090	0.000	1	123.6090	0.000	1	127.0735	24.006	2	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]Cl)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H)	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,2|N<2>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]Cl)(C[5a]C[5a]2){1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H){2|C<3>,2|H<1>}	124.1150	0.000	1	124.1150	0.000	1	124.1150	0.000	1	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6,6a]C[6a])(C[5a]C[5a]H)(C[5a]S[5a]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]H)(H)	C[5a](C[6a]C[6,6a]C[6a])(C[5a]C[5a]H)(C[5a]S[5a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[5a]C[5a]2)(C[6a]C[6a]H){1|S<2>,2|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]H)(H){1|H<1>,2|C<3>}	127.0540	0.000	1	127.0540	0.000	1	127.0540	0.000	1	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6,6a]C[6a])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[5a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]H)(H)	C[5a](C[6a]C[6,6a]C[6a])(C[5a]C[5a]H)(C[5a]S[5a]C){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[5a])(C[5a]C[5a]2){1|C<4>,1|N<3>,1|S<2>,2|H<1>,6|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]H)(H){1|C<4>,2|C<3>}	122.8938	1.347	6	122.8938	1.813	6	122.8938	1.813	6	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a,6]H)(C[5a]N[5a,6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(H)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a,6]H)(C[5a]N[5a,6]H){1|B<4>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(H){1|B<4>,1|H<1>,4|C<3>}	126.7590	0.000	1	126.7590	0.000	1	128.0045	3.103	2	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a,6]H)(C[5a]N[5a,6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(H)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a,6]H)(C[5a]N[5a,6]H){1|B<4>,1|C<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]C){1|N<3>,4|C<3>,4|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(H){1|B<4>,1|H<1>,4|C<3>}	129.2500	0.000	1	129.2500	0.000	1	128.0045	3.103	2	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(C[5a]S[5a]H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)(H)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(C[5a]S[5a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|S<2>,4|C<3>,4|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)(H){1|H<1>,2|C<3>}	125.5882	1.640	9	125.5882	2.690	9	125.5882	2.690	9	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a,6]H)(C[5a]N[5a,6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6a])(H)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a,6]H)(C[5a]N[5a,6]H){1|B<4>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6a])(H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	126.7120	0.000	1	126.7120	0.000	1	126.0870	0.781	2	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a,6]H)(C[5a]N[5a,6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6a])(H)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a,6]H)(C[5a]N[5a,6]H){1|B<4>,1|C<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]C){1|N<3>,4|C<3>,4|H<1>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6a])(H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	125.4620	0.000	1	125.4620	0.000	1	126.0870	0.781	2	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[5a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a])(H)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(C[5a]S[5a]C){5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[5a])(C[5a]C[5a]2){1|C<4>,1|S<2>,2|H<1>,7|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a])(H){1|C<4>,4|C<3>}	123.3750	0.423	2	123.3750	0.179	2	123.8770	0.595	11	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[5a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)(H)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[5a])(C[5a]C[5a]2){1|C<4>,1|N<2>,1|S<2>,2|H<1>,6|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)(H){1|C<4>,2|C<3>}	123.4575	0.247	2	123.5790	0.048	4	123.8770	0.595	11	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[5a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)(H)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[5a])(C[5a]C[5a]2){1|C<4>,1|S<2>,2|H<1>,7|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)(H){1|C<4>,2|C<3>}	123.5900	0.000	1	123.5790	0.048	4	123.8770	0.595	11	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[5a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)(H)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(C[5a]S[5a]C){5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[5a])(C[5a]C[5a]2){1|C<4>,1|S<2>,2|H<1>,7|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)(H){1|C<4>,2|C<3>}	123.8110	0.000	1	123.5790	0.048	4	123.8770	0.595	11	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]S[5a]Br)(C[5a]C[5a]H)	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a,6a]H)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]Br)(H)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]S[5a]Br)(C[5a]C[5a]H){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a,6a]H)(C[5a]C[5a]2){1|Br<1>,1|H<1>,1|S<2>,5|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]Br)(H){1|Br<1>,2|C<3>}	124.3162	0.975	5	124.3162	0.950	5	123.8770	0.595	11	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a]-3:N[6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a]H)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a]H)(C[5a]C[5a]2){1|C<4>,1|H<1>,1|S<2>,5|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)(H){1|C<3>,1|C<4>,1|N<3>}	122.0280	0.000	1	122.0280	0.000	1	122.0280	0.000	1	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	B[6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]B[6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6a](B[6a]C[6a]N[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]B[6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](B[6a]C[6a]N[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){4|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|B<3>,1|H<1>,2|C<3>}	132.4335	0.589	2	132.4335	0.347	2	132.4335	0.347	2	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]C[5,6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a,6a]C[5,6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a]){3|H<1>,7|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	131.3940	0.424	4	131.3940	0.180	4	131.3940	0.180	4	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|C<4>,1|H<1>,4|C<3>}	128.3390	0.000	1	128.3390	0.000	1	128.3390	0.000	1	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]N[5a]H)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]N[5a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|N<2>,4|C<3>,4|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	132.5360	0.000	1	132.5360	0.000	1	132.5360	0.000	1	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]H)(N[5a]C[5a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]C[5a]N[5a]){3|H<1>,8|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	128.2430	0.000	1	128.2430	0.000	1	130.5257	3.910	3	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]H)(N[5a]C[5a]H){2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]C[5a]N[5a]){4|H<1>,7|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	131.7170	0.000	1	131.7170	0.000	1	130.5257	3.910	3	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]H)(N[5a]N[5a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	C[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]H)(N[5a]N[5a]C){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]C[5a]N[5a]){1|C<4>,1|N<2>,3|H<1>,6|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){1|C<4>,2|C<3>}	131.6170	0.000	1	131.6170	0.000	1	130.5257	3.910	3	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5a]-3:C[5a]-3:	C[5,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[5,6a]C[6a])(N[5a]C[5a]Ni)(C[5a]C[5a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[5a]C[5a]N[5a])(C[6a]C[6a]N[6a])	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[5,6a]C[6a])(N[5a]C[5a]Ni)(C[5a]C[5a]H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[5a]C[5a]N[5a])(C[6a]C[6a]N[6a]){1|Ni<4>,1|H<1>,7|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|Ni<4>,3|C<3>}	126.0590	0.000	1	126.0590	0.000	1	126.0590	0.000	1	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[5a,6a]C[6a])(N[5a]C[5a]Pd)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[5a,6a]C[6a])(N[5a]C[5a]Pd)(C[5a]C[5a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|Pd<4>,1|C<4>,1|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|Pd<4>,3|C<3>}	124.9453	0.590	4	124.9453	0.349	4	124.9453	0.349	4	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]Ni)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]Ni)(C[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a]){1|Ni<4>,2|H<1>,7|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|Ni<4>,3|C<3>}	125.8275	0.905	4	125.8275	0.818	4	127.1707	1.589	12	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]Ni)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]Ni)(C[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a]){1|Ni<4>,2|H<1>,7|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|Ni<4>,3|C<3>}	127.3575	0.480	4	127.3575	0.230	4	127.1707	1.589	12	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]Pt)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]Pt)(C[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a]){1|Pt<4>,2|H<1>,7|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|Pt<4>,3|C<3>}	128.3270	0.737	4	128.3270	0.543	4	127.1707	1.589	12	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5a]-3:C[5a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[6a]N[5a])(C[5a]C[5a]H){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|N<2>,3|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){3|C<3>}	128.9760	0.000	1	128.9760	0.000	1	128.9760	0.000	1	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5a]-3:C[5a]-3:	C[6a,6a]-3:C[6,6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]C[6,6a])(N[5a]C[5a]Ni)(C[5a]C[5a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a,6a]C[6,6a])(N[5a]C[5a]Ni)(C[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(C[5a]C[5a]N[5a]){1|Ni<4>,2|H<1>,7|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|Ni<4>,3|C<3>}	126.4090	0.000	1	126.4090	0.000	1	126.4090	0.000	1	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]N[5,5a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(H)	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(C[6a]C[6a]2){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5a]N[5,5a]C[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a](C[5a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(H){4|C<3>}	128.3880	0.000	1	128.3880	0.000	1	129.6640	3.256	2	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]N[5,5a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5,5a]C[6a])(C[5a]N[5,5a]O)(H)	C[5a](N[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(C[6a]C[6a]2){1|O<1>,3|H<1>,5|C<3>}	C[6a](C[5a]N[5,5a]C[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]N[5,5a]C[6a])(C[5a]N[5,5a]O)(H){1|C<4>,3|C<3>}	130.9400	0.000	1	130.9400	0.000	1	129.6640	3.256	2	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,5a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,5a]C[6a])(C[5a]N[5a,5a]O)(H)	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5a]N[5a,5a]C[5a])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]N[5a,5a]C[6a])(C[5a]N[5a,5a]O)(H){4|C<3>}	128.8540	0.000	1	128.8540	0.000	1	128.5630	6.999	3	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,5a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,5a]C[6a])2(H)	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[5a]N[5a,5a]C[5a])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]N[5a,5a]C[6a])2(H){1|N<2>,5|C<3>}	125.7840	0.000	1	125.7840	0.000	1	128.5630	6.999	3	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,5a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,5a]C[6a])2(H)	C[5a](N[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5a]N[5a,5a]C[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]N[5a,5a]C[6a])2(H){1|N<2>,5|C<3>}	131.0510	0.000	1	131.0510	0.000	1	128.5630	6.999	3	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:Br-1:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6])(Br)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(C[6a]C[6a]2){1|N<2>,1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2{1|Br<1>,1|B<4>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6])(Br){1|B<4>,1|N<2>,4|C<3>}	127.1200	0.000	1	127.1200	0.000	1	126.5673	0.234	3	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:Br-1:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(Br)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(C[6a]C[6a]2){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2{1|Br<1>,1|B<4>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(Br){1|B<4>,3|C<3>}	126.2910	0.103	2	126.2910	0.011	2	126.5673	0.234	3	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Cl)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(Cl)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Cl)(C[6a]C[6a]2){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2{1|Cl<1>,1|B<4>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(Cl){1|B<4>,3|C<3>}	126.8697	0.688	8	126.8697	0.474	8	126.8697	0.474	8	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a,6]B[5a,6]C[5a,6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(H)	C[5a](N[5a,6]B[5a,6]C[5a,6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<3>,2|O<2>,3|C<3>,3|H<1>}	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2{1|B<4>,3|C<3>,3|H<1>}	C[5a](C[5a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(H){1|B<4>,3|C<3>}	125.4295	1.383	12	125.4295	1.913	12	124.9888	2.202	48	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<2>,1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|B<4>,1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(H){1|B<4>,1|N<2>,4|C<3>}	123.5410	2.219	2	123.5410	4.924	2	124.9888	2.202	48	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5a](C[5a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(H){1|B<4>,3|C<3>}	124.8590	0.000	1	124.8590	0.000	1	124.9888	2.202	48	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|F<1>,3|C<3>}	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|B<4>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(H){1|B<4>,1|N<2>,4|C<3>}	126.4075	1.479	2	126.4075	2.186	2	124.9888	2.202	48	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<3>,1|O<2>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|B<4>,1|C<4>,1|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(H){1|B<4>,3|C<3>}	125.8135	0.620	2	126.1625	0.439	4	124.9888	2.202	48	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<3>,1|O<2>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|B<4>,1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(H){1|B<4>,3|C<3>}	126.9840	0.000	1	126.1625	0.439	4	124.9888	2.202	48	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<3>,1|O<2>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|B<4>,3|C<3>,3|H<1>}	C[5a](C[5a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(H){1|B<4>,3|C<3>}	126.0390	0.000	1	126.1625	0.439	4	124.9888	2.202	48	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<2>,1|N<3>,2|C<2>,2|H<1>,3|C<3>}	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2{1|B<4>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(H){1|B<4>,1|N<2>,4|C<3>}	124.6645	0.289	2	124.1910	0.667	16	124.9888	2.202	48	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<2>,1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2{1|B<4>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(H){1|B<4>,1|N<2>,4|C<3>}	124.3516	0.882	10	124.1910	0.667	16	124.9888	2.202	48	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<2>,1|N<3>,2|H<1>,5|C<3>}	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2{1|B<4>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(H){1|B<4>,1|N<2>,4|C<3>}	123.5528	0.438	4	124.1910	0.667	16	124.9888	2.202	48	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2{1|B<4>,1|H<1>,2|C<4>,3|C<3>}	C[5a](C[5a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(H){1|B<4>,3|C<3>}	124.3385	0.322	2	124.5605	0.728	4	124.9888	2.202	48	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2{1|B<4>,3|C<3>,3|H<1>}	C[5a](C[5a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(H){1|B<4>,3|C<3>}	124.7825	1.372	2	124.5605	0.728	4	124.9888	2.202	48	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2{1|B<4>,3|C<3>,3|H<1>}	C[5a](C[5a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(H){1|B<4>,3|C<3>}	124.3468	0.606	5	124.3468	0.367	5	124.9888	2.202	48	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(H)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(H){1|C<4>,5|C<3>}	129.2240	0.000	1	129.2240	0.000	1	124.9888	2.202	48	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6]C[6a])(C[5a]C[5a,6]S)(H)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a]N[5a,6]C[6a])(C[5a]C[5a,6]S)(H){1|C<4>,3|C<3>}	128.6470	0.000	1	128.6470	0.000	1	124.9888	2.202	48	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H){4|C<3>}	126.3790	0.000	1	126.3790	0.000	1	128.3840	1.622	10	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C[6a])(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C[6a])(H){6|C<3>}	127.7870	0.000	1	128.5490	1.161	2	128.3840	1.622	10	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C[6a])(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C[6a])(H){6|C<3>}	129.3110	0.000	1	128.5490	1.161	2	128.3840	1.622	10	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H){4|C<3>}	127.6535	0.552	2	127.6535	0.305	2	128.3840	1.622	10	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){4|C<3>,4|H<1>}	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H){4|C<3>}	129.0112	1.227	5	129.0112	1.505	5	128.3840	1.622	10	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:I-1:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]I)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(I)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]I)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2{1|I<1>,2|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(I){4|C<3>}	130.4660	0.000	1	130.4660	0.000	1	130.4660	0.000	1	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C[6a])(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H){2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C[6a])(H){6|C<3>}	129.0400	0.000	1	129.0400	0.000	1	129.0400	0.000	1	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]2){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){2|H<1>,4|C<3>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]N[5a])(H){6|C<3>}	126.7231	0.489	13	126.7231	0.239	13	126.8283	0.476	26	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]N[5a])(H){6|C<3>}	126.9336	0.853	13	126.9336	0.728	13	126.8283	0.476	26	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(H){1|O<1>,2|C<4>,3|C<3>}	128.6770	0.513	10	128.6375	0.579	14	128.6375	0.579	14	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	128.3100	0.000	1	128.6375	0.579	14	128.6375	0.579	14	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(H){2|C<4>,2|H<1>,3|C<3>}	129.4160	1.093	2	128.6375	0.579	14	128.6375	0.579	14	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(H){6|C<3>}	127.0130	0.000	1	128.6375	0.579	14	128.6375	0.579	14	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(C[6a]C[6a]2){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|C<4>,1|H<1>,4|C<3>}	129.7050	0.000	1	129.7050	0.000	1	126.8969	4.571	28	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,5|C<3>}	129.2980	0.000	1	129.2980	0.000	1	126.8969	4.571	28	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|C<4>,1|H<1>,4|C<3>}	127.6670	0.000	1	127.6670	0.000	1	126.8969	4.571	28	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,1|N<2>,4|C<3>}	127.4690	0.000	1	127.4690	0.000	1	126.8969	4.571	28	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2){1|H<1>,1|O<2>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,5|C<3>}	127.9957	0.506	3	127.9957	0.256	3	126.8969	4.571	28	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Cl<1>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,5|C<3>}	127.8390	0.000	1	128.5238	0.800	6	126.8969	4.571	28	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,1|N<2>,4|C<3>}	127.9830	0.000	1	128.5238	0.800	6	126.8969	4.571	28	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,5|C<3>}	127.9040	0.000	1	128.5238	0.800	6	126.8969	4.571	28	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,5|C<3>}	129.1390	0.926	3	128.5238	0.800	6	126.8969	4.571	28	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	127.6475	0.558	2	127.6475	0.311	2	126.8969	4.571	28	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]Mg)(C[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]Mg)(C[5a]C[5a,6a]H)(C[6a]C[6a]2){1|H<1>,1|O<3>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Mg<6>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|Mg<6>,1|H<1>,4|C<3>}	124.4950	0.000	2	124.4950	0.000	2	126.8969	4.571	28	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]Mg)(C[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]S)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]Mg)(C[5a]C[5a,6a]H)(C[6a]C[6a]2){1|H<1>,1|S<3>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]S){1|Mg<6>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|Mg<6>,1|H<1>,4|C<3>}	123.5890	1.405	4	123.5890	1.975	4	126.8969	4.571	28	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]Si)(C[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]Si)(C[5a]C[5a,6a]H)(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|Si<4>,1|N<3>,3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|Si<4>,1|H<1>,4|C<3>}	125.7917	0.660	6	125.7917	0.435	6	126.8969	4.571	28	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	130.4530	0.000	1	130.4530	0.000	1	126.8969	4.571	28	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:Br-1:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(Br)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Br<1>,1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(Br){3|C<3>}	130.9470	0.000	1	130.9470	0.000	1	130.9470	0.000	1	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-1:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<1>,1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(C){3|C<3>}	128.7360	0.000	1	128.7360	0.000	1	128.7360	0.000	1	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Ag)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a]Ag)(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Ag<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){1|Ag<3>,1|N<2>,4|C<3>}	126.4220	1.053	6	126.4220	1.108	6	127.8832	6.907	277	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Al)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](N[5a]C[5a]Al)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|Al<4>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|Al<4>,3|C<3>}	126.8858	1.880	6	126.8858	3.533	6	127.8832	6.907	277	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Al)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](N[5a]C[5a]Al)(C[5a]C[5a]H)(C[6a]C[6a]2){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Al<6>,1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|Al<6>,3|C<3>}	125.3975	0.037	2	125.8017	0.222	4	127.8832	6.907	277	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Al)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](N[5a]C[5a]Al)(C[5a]C[5a]H)(C[6a]C[6a]2){1|O<3>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Al<6>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|Al<6>,3|C<3>}	126.2060	0.103	2	125.8017	0.222	4	127.8832	6.907	277	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){2|C<3>,2|C<4>}	126.5850	0.420	2	126.5850	0.176	2	127.8832	6.907	277	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){4|C<3>}	129.2675	0.286	2	129.2675	0.082	2	127.8832	6.907	277	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){6|C<3>}	127.0160	1.937	2	127.7798	2.180	4	127.8832	6.907	277	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,5|C<3>}	128.5435	0.674	2	127.7798	2.180	4	127.8832	6.907	277	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Br<1>,2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){1|C<4>,3|C<3>}	127.6680	0.000	1	128.4741	0.770	13	127.8832	6.907	277	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){1|C<4>,3|C<3>}	129.0547	0.561	6	128.4741	0.770	13	127.8832	6.907	277	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){4|C<3>}	127.8215	0.456	2	128.4741	0.770	13	127.8832	6.907	277	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){4|C<3>}	128.1310	1.074	4	128.4741	0.770	13	127.8832	6.907	277	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<4>,3|C<3>}	127.5400	0.000	1	127.5798	0.029	4	127.8832	6.907	277	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){4|C<3>}	127.5930	0.206	3	127.5798	0.029	4	127.8832	6.907	277	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)(H)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)(H){4|C<3>}	127.4990	0.000	1	127.4990	0.000	1	127.8832	6.907	277	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]O)(H)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]O)(H){4|C<3>}	127.4310	0.000	1	127.4310	0.000	1	127.8832	6.907	277	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)2{1|Co<4>,3|H<1>,7|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|Co<4>,3|C<3>}	124.9955	0.272	4	124.9955	0.074	4	127.8832	6.907	277	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|Co<4>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|Co<4>,1|C<4>,2|C<3>}	130.0270	1.409	2	130.0270	1.984	2	127.8832	6.907	277	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)2{1|Cu<3>,3|H<1>,7|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|Cu<3>,3|C<3>}	125.3925	1.262	4	126.4886	2.941	7	127.8832	6.907	277	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)2{1|Cu<4>,3|H<1>,7|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|Cu<4>,3|C<3>}	127.9500	0.909	3	126.4886	2.941	7	127.8832	6.907	277	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|Cu<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|Cu<3>,3|C<3>}	127.0880	2.003	8	127.0880	4.010	8	127.8832	6.907	277	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C[6])(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C[6])(C[6a]C[6a]2){1|Cu<4>,1|C<4>,3|H<1>,6|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|Cu<4>,3|C<3>}	130.9790	0.000	1	130.9790	0.000	1	127.8832	6.907	277	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Cu<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){1|Cu<3>,1|N<2>,4|C<3>}	125.6806	0.513	8	125.6386	0.225	10	127.8832	6.907	277	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Cu<4>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){1|Cu<4>,1|N<2>,4|C<3>}	125.4705	0.329	2	125.6386	0.225	10	127.8832	6.907	277	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(C[6a]C[6a]2){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Cu<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|Cu<3>,3|C<3>}	126.8555	1.314	4	126.2473	0.868	12	127.8832	6.907	277	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(C[6a]C[6a]2){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Cu<4>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|Cu<4>,3|C<3>}	125.9431	0.554	8	126.2473	0.868	12	127.8832	6.907	277	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)2{1|Fe<3>,3|H<1>,7|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|Fe<3>,3|C<3>}	126.9225	0.194	2	125.9434	3.352	8	127.8832	6.907	277	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)2{1|Fe<4>,3|H<1>,7|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|Fe<4>,3|C<3>}	125.6170	2.043	6	125.9434	3.352	8	127.8832	6.907	277	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|Fe<4>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|Fe<4>,1|C<4>,2|C<3>}	129.8323	0.728	11	129.2945	1.457	16	127.8832	6.907	277	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|Fe<4>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|Fe<4>,3|C<3>}	128.1114	1.263	5	129.2945	1.457	16	127.8832	6.907	277	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Fe<4>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|Fe<4>,1|C<4>,2|C<3>}	128.7063	0.405	3	128.7063	0.164	3	127.8832	6.907	277	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Ir)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a]Ir)(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Ir<6>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){1|Ir<6>,1|N<2>,4|C<3>}	126.0850	0.468	2	126.3860	3.782	4	127.8832	6.907	277	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Ir)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a]Ir)(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Ir<6>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){1|Ir<6>,5|C<3>}	126.6870	3.281	2	126.3860	3.782	4	127.8832	6.907	277	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Mo)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](N[5a]C[5a]Mo)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|Mo<5>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|Mo<5>,1|C<4>,2|C<3>}	127.6703	0.356	4	127.6703	0.127	4	127.8832	6.907	277	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Mo)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](N[5a]C[5a]Mo)(C[5a]C[5a]H)(C[6a]C[6a]2){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Mo<5>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|Mo<5>,3|C<3>}	124.4225	1.357	2	123.5515	1.663	4	127.8832	6.907	277	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Mo)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](N[5a]C[5a]Mo)(C[5a]C[5a]H)(C[6a]C[6a]2){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Mo<8>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|Mo<8>,3|C<3>}	122.6805	0.336	2	123.5515	1.663	4	127.8832	6.907	277	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<2>,1|S<2>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){3|C<3>}	127.2770	0.000	1	127.2770	0.000	1	127.8832	6.907	277	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])2(H)	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|S<2>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])2(H){5|C<3>}	127.9020	0.000	1	127.9020	0.000	1	127.8832	6.907	277	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|Ni<4>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|Ni<4>,1|C<4>,2|C<3>}	125.1340	2.018	2	124.7177	2.556	3	127.8832	6.907	277	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|Ni<4>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|Ni<4>,3|C<3>}	123.8850	0.000	1	124.7177	2.556	3	127.8832	6.907	277	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Ni<4>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){1|Ni<4>,5|C<3>}	127.2207	1.109	3	127.2207	1.230	3	127.8832	6.907	277	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(C[6a]C[6a]2){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Ni<4>,1|H<1>,2|C<4>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|Ni<4>,3|C<3>}	125.7455	0.043	2	126.0050	0.800	4	127.8832	6.907	277	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(C[6a]C[6a]2){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Ni<4>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|Ni<4>,3|C<3>}	126.2645	1.459	2	126.0050	0.800	4	127.8832	6.907	277	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Pd<4>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){1|Pd<4>,1|N<2>,4|C<3>}	124.9310	2.503	2	124.9310	6.266	2	127.8832	6.907	277	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Pt)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](N[5a]C[5a]Pt)(C[5a]C[5a]H)(C[6a]C[6a]2){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Pt<4>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|Pt<4>,3|C<3>}	126.2515	0.059	2	126.2515	0.003	2	127.8832	6.907	277	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Pt)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a]Pt)(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Pt<4>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){1|Pt<4>,5|C<3>}	124.0150	0.000	1	127.2703	7.948	3	127.8832	6.907	277	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Pt)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a]Pt)(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Pt<5>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){1|Pt<5>,5|C<3>}	128.8980	0.000	2	127.2703	7.948	3	127.8832	6.907	277	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Re)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a]Re)(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Re<6>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){1|Re<6>,1|N<2>,4|C<3>}	124.1713	1.049	4	124.1713	1.100	4	127.8832	6.907	277	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Rh)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a]Rh)(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Rh<4>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){1|Rh<4>,1|N<2>,4|C<3>}	126.8137	0.972	8	126.5881	1.538	13	127.8832	6.907	277	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Rh)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a]Rh)(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Rh<6>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){1|Rh<6>,1|N<2>,4|C<3>}	126.5900	1.647	4	126.5881	1.538	13	127.8832	6.907	277	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Rh)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a]Rh)(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Rh<6>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){1|Rh<6>,5|C<3>}	124.7750	0.000	1	126.5881	1.538	13	127.8832	6.907	277	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Ru)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a]Ru)(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Ru<6>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){1|Ru<6>,1|N<2>,4|C<3>}	127.4760	0.000	1	127.4760	0.000	1	127.8832	6.907	277	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Ru)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Ru)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a]Ru)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Ru)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){1|Ru<6>,1|N<2>,4|C<3>}	134.7440	0.000	1	134.7440	0.000	1	127.8832	6.907	277	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Sn)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](N[5a]C[5a]Sn)(C[5a]C[5a]H)(C[6a]C[6a]2){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Sn<6>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|Sn<6>,3|C<3>}	125.6850	0.000	1	126.0845	0.319	2	127.8832	6.907	277	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Sn)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](N[5a]C[5a]Sn)(C[5a]C[5a]H)(C[6a]C[6a]2){1|O<3>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Sn<6>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|Sn<6>,3|C<3>}	126.4840	0.000	1	126.0845	0.319	2	127.8832	6.907	277	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|Zn<4>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|Zn<4>,1|C<4>,2|C<3>}	128.5027	1.165	4	128.5027	1.356	4	127.8832	6.907	277	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Zn<4>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){1|Zn<4>,1|N<2>,4|C<3>}	125.5233	0.719	16	125.5233	0.517	16	127.8832	6.907	277	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])2(H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|Cl<1>,1|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])2(H){5|C<3>}	127.9130	0.000	1	127.9130	0.000	1	127.8832	6.907	277	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,1|F<1>,1|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]F)(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){3|C<3>}	128.5960	0.000	1	128.5960	0.000	1	127.8832	6.907	277	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){3|C<3>}	130.3770	0.000	1	130.3770	0.000	1	127.8832	6.907	277	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[6a]N[5a])2(H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])2(H){5|C<3>}	130.2327	0.382	3	130.2327	0.146	3	127.8832	6.907	277	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])(H){5|C<3>}	128.4950	0.000	1	128.4950	0.000	1	127.8832	6.907	277	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){3|C<3>}	131.0950	0.000	1	131.0950	0.000	1	127.8832	6.907	277	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])(H){1|N<2>,1|S<2>,3|C<3>}	129.2567	0.643	3	129.2567	0.413	3	127.8832	6.907	277	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){3|C<3>}	128.0780	0.000	1	129.2049	0.847	40	127.8832	6.907	277	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){3|C<3>}	129.1454	0.829	30	129.2049	0.847	40	127.8832	6.907	277	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){3|C<3>}	129.5282	1.163	9	129.2049	0.847	40	127.8832	6.907	277	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){3|C<3>}	129.6432	1.433	4	129.6432	2.052	4	127.8832	6.907	277	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Cl<1>,1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(H){3|C<3>}	128.7620	0.000	1	128.1980	0.226	4	127.8832	6.907	277	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(H){3|C<3>}	128.0100	0.357	3	128.1980	0.226	4	127.8832	6.907	277	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])2(H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])2(H){5|C<3>}	128.6065	2.623	4	129.4310	2.049	21	127.8832	6.907	277	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])2(H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])2(H){5|C<3>}	129.6006	1.099	15	129.4310	2.049	21	127.8832	6.907	277	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])2(H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|C<3>,2|N<2>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])2(H){5|C<3>}	129.8080	0.000	2	129.4310	2.049	21	127.8832	6.907	277	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]N[5a]C[5])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](N[5a]N[5a]C[5])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){3|C<3>}	133.8010	0.000	1	133.8010	0.000	1	127.8832	6.907	277	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]N[5a]Ir)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])2(H)	C[5a](N[5a]N[5a]Ir)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])2(H){1|Ir<8>,4|C<3>}	139.2343	1.050	4	139.0214	1.054	5	127.8832	6.907	277	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]N[5a]Ir)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])2(H)	C[5a](N[5a]N[5a]Ir)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])2(H){1|Ir<9>,4|C<3>}	138.1700	0.000	1	139.0214	1.054	5	127.8832	6.907	277	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]N[5a]Mn)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	C[5a](N[5a]N[5a]Mn)(C[5a]C[5a]H)(C[6a]C[6a]2){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Mn<5>,1|N<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){1|Mn<5>,2|C<3>}	130.3915	0.135	2	130.3915	0.018	2	127.8832	6.907	277	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]N[5a]Pt)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Pt)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](N[5a]N[5a]Pt)(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Pt)(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){1|Pt<4>,2|C<3>}	136.8380	0.000	1	136.8380	0.000	1	127.8832	6.907	277	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]N[5a]Ru)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(H)	C[5a](N[5a]N[5a]Ru)(C[5a]C[5a]H)(C[6a]C[6a]2){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Ru<9>,1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(H){1|Ru<9>,3|C<3>}	125.0490	0.000	1	125.0490	0.000	1	127.8832	6.907	277	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]N[5a]Zn)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])2(H)	C[5a](N[5a]N[5a]Zn)(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Zn<4>,1|H<1>,1|N<2>,2|C<3>,2|O<2>}	C[5a](C[5a]C[6a]N[5a])2(H){1|Zn<4>,4|C<3>}	132.6260	0.000	1	132.6260	0.000	1	127.8832	6.907	277	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:I-1:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]I)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)(I)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]I)(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|I<1>,2|C<4>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)(I){4|C<3>}	131.0870	0.000	1	131.0870	0.000	1	131.0870	0.000	1	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)(H)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)(H){1|O<1>,3|C<3>}	127.6390	0.000	1	127.6390	0.000	1	127.6390	0.000	1	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[6a]-3:C[5a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[6a]N[5a])(C[6a]C[6a,6a]2)(C[5a]C[5a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	C[5a](N[5a]C[6a]N[5a])(C[6a]C[6a,6a]2)(C[5a]C[5a]H){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]C[5a]N[5a]){1|N<2>,3|H<1>,7|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){3|C<3>}	129.4065	1.354	2	129.4065	1.834	2	129.4065	1.834	2	127.3915	7.493	1198	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-2:	C[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5,5a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5,5a]C[6a])2(CC)	C[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5,5a]C[5a])(C[6a]C[6a]H)2{1|C<2>,2|C<4>,4|C<3>}	C[5a](C[5a]C[5,5a]C[6a])2(CC){6|C<3>}	125.9700	0.000	1	125.9700	0.000	1	126.7177	0.524	3	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-2:	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5,5a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5,5a]C[6a])2(CC)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<2>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5,5a]C[5a])(C[6a]C[6a]H)2{1|C<2>,2|C<4>,4|C<3>}	C[5a](C[5a]C[5,5a]C[6a])2(CC){6|C<3>}	127.4150	0.000	1	127.4150	0.000	1	126.7177	0.524	3	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-2:	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5,5a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5,5a]C[6a])(C[5a]N[5,5a]C[6a])(CN)	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5a]C[5,5a]C[5a])(C[6a]C[6a]H)2{1|C<2>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5,5a]C[6a])(C[5a]N[5,5a]C[6a])(CN){1|C<4>,5|C<3>}	126.7680	0.000	1	126.7680	0.000	1	126.7177	0.524	3	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:N-2:	C[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5,5a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5,5a]C[6a])(N[5a]C[5,5a]C[6])(NC[6])	C[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]N[5a]N)(C[6a]C[6a]2){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5,5a]C[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5,5a]C[6a])(N[5a]C[5,5a]C[6])(NC[6]){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	127.6840	0.000	1	127.6840	0.000	1	127.6840	0.000	1	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5,5a]-3:C[6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5,5a]N[5,5a]C[5])(C[6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5,5a]C[5a])(C[6a]C[6a]H)	C[5a](C[5a]C[5,5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5,5a])	C[5a](C[5,5a]N[5,5a]C[5])(C[6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a]){1|N<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5,5a]C[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,2|N<2>,3|C<3>}	C[5a](C[5a]C[5,5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5,5a]){1|H<1>,2|C<4>,4|C<3>}	128.8977	2.237	19	128.8977	5.005	19	128.8977	5.005	19	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-2:	C[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]N)(CN)	C[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|C<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]N)(CN){1|C<4>,3|C<3>}	124.5460	0.000	1	124.5460	0.000	1	124.5460	0.000	1	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-2:	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(CN)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|C<2>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(CN){1|C<4>,3|C<3>}	125.9560	0.221	2	125.9560	0.049	2	125.9560	0.049	2	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])(O[5a]C[5a,6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])(C[6a]C[6a]2){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{3|O<2>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])(O[5a]C[5a,6a]){7|C<3>}	129.8750	0.000	1	129.8750	0.000	1	129.8750	0.000	1	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C[6a])(CC)	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C[6a])(CC){6|C<3>}	123.5380	0.000	1	123.5380	0.000	1	123.5380	0.000	1	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(CN)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(CN){1|H<1>,5|C<3>}	125.3193	1.782	3	125.3193	3.176	3	126.2053	6.658	24	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)(CN)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<2>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)(CN){1|C<4>,1|H<1>,2|C<3>}	125.5030	0.301	3	125.5030	0.091	3	126.2053	6.658	24	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CN)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CN){2|C<3>,2|H<1>}	127.9910	2.507	2	127.9910	6.287	2	126.2053	6.658	24	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CC)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(C[6a]C[6a]2){1|Zn<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<2>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CC){1|Zn<4>,1|N<2>,4|C<3>}	128.0700	0.588	8	128.0700	0.346	8	126.2053	6.658	24	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CN)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(C[6a]C[6a]2){1|C<2>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<2>,2|C<3>,2|H<1>,2|N<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CN){1|H<1>,1|N<3>,2|C<3>}	128.3130	0.000	1	128.3130	0.000	1	126.2053	6.658	24	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)(CN)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<2>,1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)(CN){1|C<4>,2|C<3>}	123.2010	0.352	2	121.8225	2.624	4	126.2053	6.658	24	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)(CN)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<2>,1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)(CN){3|C<3>}	120.4440	0.382	2	121.8225	2.624	4	126.2053	6.658	24	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(CN)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<2>,1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(CN){5|C<3>}	128.0360	0.403	2	128.0360	0.162	2	126.2053	6.658	24	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(CN)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<2>,1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(CN){5|C<3>}	124.2440	0.000	1	124.2440	0.000	1	126.2053	6.658	24	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]O[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]C)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a,6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]O[5a])(C[6a]C[6a]2){2|C<4>,7|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]C)2{1|O<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a,6a]2)(O[5a]C[5a]){8|C<3>}	126.8120	0.000	1	126.8120	0.000	1	126.8120	0.000	1	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a]S)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(SC)	C[5a](C[5a]C[5a]S)(C[5a]N[5a]C)(C[6a]C[6a]2){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(SC){1|H<1>,3|C<3>}	124.2105	1.722	2	124.2105	2.965	2	125.4566	4.493	5	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a]S)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(SC)	C[5a](C[5a]C[5a]S)(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,1|S<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(SC){1|H<1>,1|S<4>,2|C<3>}	128.7090	0.000	1	128.7090	0.000	1	125.4566	4.493	5	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a]S)(C[5a]S[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a])(SS)	C[5a](C[5a]C[5a]S)(C[5a]S[5a]C)(C[6a]C[6a]2){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>,2|S<2>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a])(SS){1|C<4>,4|C<3>}	125.0765	1.018	2	125.0765	1.035	2	125.4566	4.493	5	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]O[5a])(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|S<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]O[5a])(S[5a]C[5a]){1|N<2>,2|H<1>,3|C<3>}	127.7230	0.271	4	127.7230	0.073	4	126.7083	0.919	22	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S[5a])(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<2>,1|S<2>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|S<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S[5a])(S[5a]C[5a]){1|N<2>,2|H<1>,3|C<3>}	126.6699	0.695	13	126.6699	0.483	13	126.7083	0.919	22	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]O)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]S[5a])(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,1|S<2>,2|O<2>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]O)2{1|S<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]S[5a])(S[5a]C[5a]){2|H<1>,5|C<3>}	125.4275	0.213	4	125.4275	0.045	4	126.7083	0.919	22	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]S[5a])(S[5a]N[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<2>,1|S<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]S[5a])(S[5a]N[5a]){1|H<1>,1|N<2>,4|C<3>}	128.2720	0.000	1	128.2720	0.000	1	126.7083	0.919	22	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:Se-2:	C[5a](C[5a]C[5a]Se)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(SeC[6a])	C[5a](C[5a]C[5a]Se)(C[5a]N[5a]C)(C[6a]C[6a]2){1|S<4>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|Se<2>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(SeC[6a]){1|C<4>,1|S<4>,2|C<3>}	125.4970	0.000	1	125.4970	0.000	1	125.4970	0.000	1	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a])	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2){1|H<1>,7|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|O<2>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a]){1|H<1>,6|C<3>}	127.0780	0.000	1	126.6690	0.950	5	128.0453	3.213	19	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a])	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2){1|H<1>,7|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a]){1|H<1>,6|C<3>}	126.5667	1.094	4	126.6690	0.950	5	128.0453	3.213	19	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a])	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a]){2|H<1>,5|C<3>}	125.8310	0.000	1	125.8310	0.000	1	128.0453	3.213	19	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|H<1>,5|C<3>}	130.7040	0.000	1	130.7040	0.000	1	128.0453	3.213	19	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){4|C<3>,4|H<1>}	128.7870	0.000	1	128.7870	0.000	1	128.0453	3.213	19	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<3>,2|H<1>,5|C<3>}	128.7020	0.904	4	128.7020	0.818	4	128.0453	3.213	19	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a])	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a]){1|C<4>,2|H<1>,4|C<3>}	129.2130	0.000	1	129.2130	0.000	1	128.0453	3.213	19	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]Si)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a])	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]Si)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|Si<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a]){1|Si<4>,2|H<1>,4|C<3>}	127.3930	0.000	1	127.3930	0.000	1	128.0453	3.213	19	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,6|C<3>}	128.5558	2.488	5	128.5558	6.191	5	128.0453	3.213	19	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,6|C<3>}	127.3508	0.092	4	127.3508	0.009	4	128.1447	2.832	41	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2){1|H<1>,7|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|O<2>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]N[5a]){2|H<1>,5|C<3>}	128.8160	0.000	1	129.1738	0.925	5	128.1447	2.832	41	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2){1|H<1>,7|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]N[5a]){2|H<1>,5|C<3>}	129.2632	1.086	4	129.1738	0.925	5	128.1447	2.832	41	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]N[5a]){1|H<1>,1|N<3>,5|C<3>}	129.5840	0.000	1	129.5840	0.000	1	128.1447	2.832	41	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]2)(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,6|C<3>}	128.7176	0.661	7	128.7176	0.437	7	128.1447	2.832	41	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<2>,1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a]){1|C<2>,2|H<1>,5|C<3>}	126.3460	0.653	2	125.2123	4.069	3	128.1447	2.832	41	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,6|C<3>}	122.9450	0.000	1	125.2123	4.069	3	128.1447	2.832	41	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<2>,1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a]){1|C<2>,2|H<1>,5|C<3>}	129.8490	0.000	1	127.1123	1.682	10	128.1447	2.832	41	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	127.1920	0.762	4	127.1123	1.682	10	128.1447	2.832	41	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a]){1|H<1>,2|C<4>,5|C<3>}	125.9700	0.000	1	127.1123	1.682	10	128.1447	2.832	41	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,6|C<3>}	126.8513	1.243	3	127.1123	1.682	10	128.1447	2.832	41	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a]){3|H<1>,5|C<3>}	125.9820	0.000	1	127.1123	1.682	10	128.1447	2.832	41	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]F)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]F)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|F<1>,1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a]){1|F<1>,2|H<1>,5|C<3>}	131.3980	0.000	1	131.3980	0.000	1	128.1447	2.832	41	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,3|H<1>,4|C<3>}	128.3600	0.000	1	129.2340	1.626	6	128.1447	2.832	41	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a]){3|H<1>,5|C<3>}	129.3155	1.532	4	129.2340	1.626	6	128.1447	2.832	41	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a]){4|C<3>,4|H<1>}	129.7820	0.000	1	129.2340	1.626	6	128.1447	2.832	41	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]N[5a])	C[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]N[5a]){1|C<4>,2|H<1>,4|C<3>}	126.2480	0.000	1	126.2480	0.000	1	128.1447	2.832	41	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]N[5a])	C[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]N[5a]){1|C<4>,2|H<1>,4|C<3>}	128.7180	0.000	1	129.1910	0.447	2	128.1447	2.832	41	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]N[5a])	C[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|N<2>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]N[5a]){1|C<4>,2|H<1>,4|C<3>}	129.6640	0.000	1	129.1910	0.447	2	128.1447	2.832	41	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]N[5a])	C[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]N[5a]){3|H<1>,4|C<3>}	129.8630	0.000	1	129.8630	0.000	1	128.1447	2.832	41	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(S[5a]C[5a])	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|S<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(S[5a]C[5a]){1|C<4>,1|H<1>,6|C<3>}	124.9740	0.000	1	124.3131	1.097	8	124.3131	1.097	8	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(S[5a]C[5a])	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|S<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(S[5a]C[5a]){2|H<1>,6|C<3>}	124.2187	1.094	7	124.3131	1.097	8	124.3131	1.097	8	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-2:	C[5a](C[5a]N[5a]C)2(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)(CN)	C[5a](C[5a]N[5a]C)2(C[6a]C[6a]2){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<2>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)(CN){1|C<4>,2|C<3>}	127.5530	0.000	1	127.5530	0.000	1	127.5530	0.000	1	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:N-2:	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Ir)(NC[5a])	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]N)(C[6a]C[6a]2){1|Ir<6>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|Br<1>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Ir)(NC[5a]){1|Br<1>,3|C<3>}	125.3282	1.010	4	125.3282	1.019	4	126.7947	2.500	88	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:N-2:	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Pt)(NC[5a])	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]N)(C[6a]C[6a]2){1|Pt<5>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|Br<1>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Pt)(NC[5a]){1|Br<1>,3|C<3>}	124.1020	0.638	2	124.1020	0.407	2	126.7947	2.500	88	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:N-2:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(NN)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(C[6a]C[6a]2){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(NN){4|C<3>}	123.8720	0.000	1	123.8720	0.000	1	126.7947	2.500	88	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:N-2:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Zn)(NC[5a])	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(C[6a]C[6a]2){1|Zn<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<2>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Zn)(NC[5a]){1|C<2>,3|C<3>}	126.3985	0.596	8	126.3985	0.355	8	126.7947	2.500	88	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:N-2:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Pt)(NC)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2){1|Pt<4>,1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Pt)(NC){1|N<2>,3|C<3>}	123.3175	0.867	6	123.3175	0.752	6	126.7947	2.500	88	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:N-2:	C[5a](C[5a]C[5a]Cl)(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Pt)(NC[5a])	C[5a](C[5a]C[5a]Cl)(C[5a]N[5a]N)(C[6a]C[6a]2){1|Pt<5>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|Cl<1>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Pt)(NC[5a]){1|Cl<1>,3|C<3>}	124.6370	1.295	2	124.6370	1.678	2	126.7947	2.500	88	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:N-2:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Ag)(NC[5a])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2){1|Ag<3>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Ag)(NC[5a]){1|H<1>,3|C<3>}	127.9583	1.135	6	127.9583	1.288	6	126.7947	2.500	88	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:N-2:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Cu)(NC[5a])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2){1|Cu<3>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Cu)(NC[5a]){1|H<1>,3|C<3>}	127.3034	1.252	8	127.4190	1.444	10	126.7947	2.500	88	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:N-2:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Cu)(NC[5a])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2){1|Cu<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Cu)(NC[5a]){1|H<1>,3|C<3>}	127.8815	1.218	2	127.4190	1.444	10	126.7947	2.500	88	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:N-2:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(NC[5])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(NC[5]){1|C<4>,1|H<1>,2|C<3>}	126.9040	0.000	1	126.9854	0.289	5	126.7947	2.500	88	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:N-2:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(NC[5])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(NC[5]){1|H<1>,3|C<3>}	127.0058	0.619	4	126.9854	0.289	5	126.7947	2.500	88	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:N-2:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(NC[5a])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(NC[5a]){1|H<1>,3|C<3>}	127.2710	0.279	2	127.2710	0.078	2	126.7947	2.500	88	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:N-2:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Ir)(NC[5a])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2){1|Ir<6>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Ir)(NC[5a]){1|H<1>,3|C<3>}	126.6395	1.483	2	126.6395	2.199	2	126.7947	2.500	88	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:N-2:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Ni)(NC[5a])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2){1|Ni<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Ni)(NC[5a]){1|H<1>,3|C<3>}	127.4228	0.372	4	127.4228	0.138	4	126.7947	2.500	88	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:N-2:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Pd)(NC[5a])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2){1|Pd<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Pd)(NC[5a]){1|H<1>,3|C<3>}	127.7890	1.195	2	127.7890	1.428	2	126.7947	2.500	88	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:N-2:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Re)(NC[5a])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2){1|Re<6>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Re)(NC[5a]){1|H<1>,3|C<3>}	128.1190	1.007	4	128.1190	1.014	4	126.7947	2.500	88	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:N-2:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Rh)(NC[5a])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2){1|Rh<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Rh)(NC[5a]){1|H<1>,3|C<3>}	127.3459	0.988	8	127.2900	1.119	12	126.7947	2.500	88	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:N-2:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Rh)(NC[5a])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2){1|Rh<6>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Rh)(NC[5a]){1|H<1>,3|C<3>}	127.1783	1.342	4	127.2900	1.119	12	126.7947	2.500	88	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:N-2:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Ru)(NC[5a])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2){1|Ru<6>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Ru)(NC[5a]){1|H<1>,3|C<3>}	128.0925	0.292	2	128.0925	0.085	2	126.7947	2.500	88	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:N-2:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Zn)(NC[5a])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2){1|Zn<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Zn)(NC[5a]){1|H<1>,3|C<3>}	127.3801	1.038	16	127.3801	1.077	16	126.7947	2.500	88	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:O-2:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(OC)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(OC){1|C<4>,3|C<3>}	124.8838	0.965	12	124.8838	0.932	12	124.8838	0.932	12	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(CN)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(CN){1|C<4>,3|C<3>,3|H<1>}	126.6950	0.000	1	126.6950	0.000	1	126.6950	0.000	1	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a,6a]F)(C[5a]N[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CN)	C[5a](C[5a]C[5a,6a]F)(C[5a]N[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<2>,1|F<1>,1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CN){1|F<1>,1|H<1>,4|C<3>}	127.6680	0.246	2	127.6680	0.061	2	127.6680	0.061	2	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:B-3:S[5a]-2:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]B)(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]C[6a])(BC[5a]C[5])(S[5a]C[5a])	C[5a](C[5a]C[5a]H)(C[5a]S[5a]B)(C[6a]C[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|B<3>,1|F<1>,1|S<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(BC[5a]C[5])(S[5a]C[5a]){2|C<3>,2|H<1>}	126.8635	0.077	2	126.8635	0.006	2	126.8635	0.006	2	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(CN)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(CN){1|H<1>,5|C<3>}	125.5200	0.000	1	125.5200	0.000	1	125.0600	3.107	3	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]O)(C[5a]C[5a]2)(C[6a]O[6a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(CN)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]O)(C[5a]C[5a]2)(C[6a]O[6a]H){1|C<2>,1|N<3>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(CN){1|H<1>,5|C<3>}	123.1130	0.000	1	123.1130	0.000	1	125.0600	3.107	3	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)(CN)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6,6a]H)(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<2>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)(CN){1|H<1>,2|C<3>}	126.5470	0.000	1	126.5470	0.000	1	125.0600	3.107	3	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2){1|N<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|N<3>,2|N<2>,5|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){3|H<1>,5|C<3>}	129.7800	0.000	1	129.7800	0.000	1	129.7800	0.000	1	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|Br<1>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]Br)(C[5a]C[5a]2)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,6|C<3>}	128.0240	0.000	1	128.0240	0.000	1	128.0240	0.000	1	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:O-2:	C[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(OC)	C[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(OC){1|H<1>,3|C<3>}	131.6585	0.664	2	131.6585	0.441	2	132.4434	0.823	5	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:O-2:	C[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])2(OC)	C[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]N[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])2(OC){1|H<1>,4|C<3>}	133.1945	0.697	2	133.1945	0.485	2	132.4434	0.823	5	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:O-2:	C[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])2(OH)	C[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]N[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])2(OH){1|H<1>,4|C<3>}	132.5110	0.000	1	132.5110	0.000	1	132.4434	0.823	5	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(SC)	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]C[5a]H){3|C<3>,3|C<4>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|S<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(SC){1|C<4>,1|H<1>,2|C<3>}	131.5030	0.000	1	131.5030	0.000	1	129.9800	4.639	2	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]C[5a]S)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(SC[6a])	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]C[5a]S){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|S<2>,1|S<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(SC[6a]){1|S<4>,3|C<3>}	128.4570	0.000	1	128.4570	0.000	1	129.9800	4.639	2	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:Se-2:	C[5a](C[5a]C[5a]Se)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])2(SeC[6a])	C[5a](C[5a]C[5a]Se)(C[6a]C[6a]2)(N[5a]N[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Se<2>,1|N<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])2(SeC[6a]){1|H<1>,4|C<3>}	133.0520	0.000	1	133.0520	0.000	1	133.0520	0.000	1	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){1|S<2>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|N<2>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	132.6610	0.000	1	131.5825	2.490	50	132.7581	3.050	108	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){1|S<3>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|N<2>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|S<3>,2|H<1>,4|C<3>}	132.9090	0.000	1	131.5825	2.490	50	132.7581	3.050	108	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	131.4050	1.683	39	131.5825	2.490	50	132.7581	3.050	108	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|H<1>,4|C<3>}	132.4370	0.894	3	131.5825	2.490	50	132.7581	3.050	108	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|H<1>,4|C<3>}	130.7950	0.139	2	131.5825	2.490	50	132.7581	3.050	108	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	132.4642	0.824	4	131.5825	2.490	50	132.7581	3.050	108	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<2>,3|H<1>,4|C<3>}	133.5440	0.000	1	133.7716	1.327	58	132.7581	3.050	108	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]H){1|S<2>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|S<2>,3|H<1>,4|C<3>}	134.9340	0.001	2	133.7716	1.327	58	132.7581	3.050	108	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	133.8298	1.221	46	133.7716	1.327	58	132.7581	3.050	108	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|C<3>,2|N<2>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	133.3307	0.712	4	133.7716	1.327	58	132.7581	3.050	108	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]H){3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){4|C<3>,4|H<1>}	133.1696	0.617	5	133.7716	1.327	58	132.7581	3.050	108	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a](C[5a]C[6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	132.6350	0.000	1	132.6350	0.000	1	132.6350	0.000	1	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:N-2:	C[5a](C[5a]C[5a,6a]N)(C[6a]C[6a,6a]2)(N[5a]C[5a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]C[5a]N[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NC)	C[5a](C[5a]C[5a,6a]N)(C[6a]C[6a,6a]2)(N[5a]C[5a,6a]H){6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]C[5a]N[5a]){1|N<2>,3|H<1>,7|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NC){2|H<1>,4|C<3>}	131.4360	0.000	1	131.4360	0.000	1	131.4360	0.000	1	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a,6]S)(N[5a]C[5a,6]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[6a]N[5a])(SC)	C[5a](C[5a]C[5a,6]S)(N[5a]C[5a,6]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|S<2>,3|C<3>,3|H<1>}	C[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[6a]N[5a])(SC){1|H<1>,5|C<3>}	131.4155	0.407	2	131.4155	0.165	2	131.4155	0.165	2	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC){1|C<4>,1|H<1>,4|C<3>}	128.8905	0.697	2	128.8905	0.485	2	128.7406	0.786	5	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CN)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CN){1|C<4>,1|H<1>,4|C<3>}	127.9190	0.000	1	127.9855	0.009	2	128.7406	0.786	5	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CN)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CN){1|H<1>,5|C<3>}	128.0520	0.000	1	127.9855	0.009	2	128.7406	0.786	5	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<2>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC){2|H<1>,4|C<3>}	129.9510	0.000	1	129.9510	0.000	1	128.7406	0.786	5	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N-2:	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NN)	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NN){1|C<4>,1|H<1>,4|C<3>}	127.6752	0.547	5	127.6752	0.299	5	129.2037	3.810	9	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N-2:	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NC)	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NC){2|H<1>,4|C<3>}	130.2735	0.158	2	130.2735	0.025	2	129.2037	3.810	9	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N-2:	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NN)	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NN){2|H<1>,4|C<3>}	131.9550	0.386	2	131.9550	0.149	2	129.2037	3.810	9	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:O-2:	C[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(OC)	C[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(OC){1|C<4>,1|H<1>,4|C<3>}	128.8240	1.274	2	128.8240	1.624	2	129.2047	1.247	3	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:O-2:	C[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(OC)	C[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]N)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(OC){1|N<3>,5|C<3>}	129.9660	0.000	1	129.9660	0.000	1	129.2047	1.247	3	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC)	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|S<2>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC){2|H<1>,4|C<3>}	129.9120	0.000	1	129.9120	0.000	1	129.6022	3.891	5	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC[6])	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|S<2>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC[6]){2|H<1>,4|C<3>}	132.4730	0.000	1	132.4730	0.000	1	129.6022	3.891	5	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]S)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC[6a])	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]S)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|S<2>,1|S<4>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC[6a]){1|H<1>,1|S<4>,4|C<3>}	128.5420	1.388	3	128.5420	1.928	3	129.6022	3.891	5	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,7|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	128.7010	0.000	1	128.4275	0.150	2	130.8531	3.724	58	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]2){1|C<4>,1|H<1>,2|N<2>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	128.1540	0.000	1	128.4275	0.150	2	130.8531	3.724	58	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]2){1|N<2>,2|H<1>,7|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	130.6050	0.000	1	129.0137	0.965	18	130.8531	3.724	58	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]2){2|H<1>,2|N<2>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	128.8620	0.000	1	129.0137	0.965	18	130.8531	3.724	58	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]2){2|H<1>,2|N<2>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	128.9238	0.956	16	129.0137	0.965	18	130.8531	3.724	58	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2){1|B<3>,2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|B<3>,2|H<1>,5|C<3>}	132.2055	1.084	2	131.9545	1.999	34	130.8531	3.724	58	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2){1|N<2>,3|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	130.4550	0.000	1	131.9545	1.999	34	130.8531	3.724	58	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,6|C<3>}	131.8916	1.364	30	131.9545	1.999	34	130.8531	3.724	58	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|O<2>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	134.8410	0.000	1	131.9545	1.999	34	130.8531	3.724	58	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]Fe)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]Fe)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Fe<5>,1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|Fe<5>,3|H<1>,4|C<3>}	128.8700	0.000	1	128.8700	0.000	1	130.8531	3.724	58	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,2|N<2>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	132.6145	2.159	2	131.6853	4.920	3	130.8531	3.724	58	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,2|N<2>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,5|C<3>}	129.8270	0.000	1	131.6853	4.920	3	130.8531	3.724	58	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a])(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]2){2|H<1>,2|N<2>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a])(N[5a]C[5a]){1|C<4>,1|H<1>,6|C<3>}	127.7900	0.000	1	127.7900	0.000	1	127.7900	0.000	1	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-2:	C[5a](C[6a]C[5,6a]C[6a])(C[5a]C[5a]C)(C[5a]N[5a]H)	C[6a](C[5,6a]C[5,6a]O[5])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CN)	C[5a](C[6a]C[5,6a]C[6a])(C[5a]C[5a]C)(C[5a]N[5a]H){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CN){2|C<3>,2|H<1>}	128.4020	0.000	1	128.4020	0.000	1	128.4020	0.000	1	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a])(C[5a]N[5a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]N)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a])(C[5a]N[5a]O){1|C<4>,1|N<3>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]N){1|N<2>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	129.0090	0.000	1	129.0090	0.000	1	129.0090	0.000	1	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:O-2:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a])(C[5a]N[5a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]N)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)(OH)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a])(C[5a]N[5a]O){1|C<4>,1|N<3>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]N){1|N<2>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)(OH){3|C<3>}	126.3220	0.000	1	126.3220	0.000	1	126.3220	0.000	1	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-2:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a,6a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CN)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)(N[5a]C[5a]H){3|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a,6a]H){1|C<2>,2|H<1>,6|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CN){2|C<3>,2|H<1>}	130.2330	0.000	1	130.2330	0.000	1	130.2330	0.000	1	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a])(N[5a]N[5a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]O)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a])(N[5a]N[5a]C){1|O<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]O){1|C<4>,2|H<1>,2|N<2>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|H<1>,4|C<3>}	134.0415	0.317	2	134.0415	0.101	2	134.0415	0.101	2	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	N[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-2:	C[5a](N[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]N[5,5a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5,5a]C[6a])(C[5a]N[5,5a]C[6a])(CN)	C[5a](N[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5a]N[5,5a]C[5a])(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5,5a]C[6a])(C[5a]N[5,5a]C[6a])(CN){1|C<4>,5|C<3>}	129.1130	0.000	1	129.1130	0.000	1	129.1130	0.000	1	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:O-2:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(OC)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(OC){1|H<1>,5|C<3>}	128.8250	0.000	1	128.8250	0.000	1	128.8250	0.000	1	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-2:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CC)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CC){1|C<4>,3|C<3>}	128.2080	0.000	1	128.2080	0.000	1	128.8481	0.774	12	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-2:	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CC)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Zn<4>,1|C<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CC){1|Zn<4>,1|N<2>,4|C<3>}	128.5110	0.697	8	128.5110	0.485	8	128.8481	0.774	12	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CN)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<2>,1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CN){3|C<3>}	129.9603	0.206	3	129.9603	0.042	3	128.8481	0.774	12	129.0699	9.559	481	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](B[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]B[5a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]B[5a]C[6a])(C[6a]C[6a]2)	C[5a](B[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[5a]B[5a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]B[5a]C[6a])(C[6a]C[6a]2){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	125.1700	0.000	1	125.1700	0.000	1	125.1700	0.000	1	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a](B[5a]N[5a,5a]C[6a])(C[5a]N[5a,5a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]B[5a]C[5a])(C[6a]C[6a]H)2	C[5a](N[5a,5a]N[5a,5a]B[5a])(C[5a]B[5a]C[6a])(C[6a]C[6a]2)	C[5a](B[5a]N[5a,5a]C[6a])(C[5a]N[5a,5a]C[6a])(C[6a]C[6a]2){1|B<3>,2|H<1>,7|C<3>}	C[6a](C[5a]B[5a]C[5a])(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[5a](N[5a,5a]N[5a,5a]B[5a])(C[5a]B[5a]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	122.6980	0.000	1	122.6980	0.000	1	122.6980	0.000	1	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5,5a]C[5,6a]N[5,5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5,5a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5,5a]C[6a])(C[5a]N[5,5a]C)(CCO)	C[5a](C[5,5a]C[5,6a]N[5,5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5,5a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5,5a]C[6a])(C[5a]N[5,5a]C)(CCO){4|C<3>}	128.4920	0.935	2	128.4920	0.874	2	128.5567	0.817	6	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5,5a]C[5,6a]N[5,5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5,5a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5,5a]C[6a])(C[5a]N[5,5a]C)(CC[6a]O)	C[5a](C[5,5a]C[5,6a]N[5,5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5,5a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5,5a]C[6a])(C[5a]N[5,5a]C)(CC[6a]O){4|C<3>}	127.6270	0.000	1	127.6270	0.000	1	128.5567	0.817	6	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5,5a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5,5a]C[6a])(C[5a]N[5,5a]C)(CC[6a]O)	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]C)(C[6a]C[6a]2){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5a]C[5,5a]C[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5,5a]C[6a])(C[5a]N[5,5a]C)(CC[6a]O){2|C<3>,2|C<4>}	127.9270	0.000	1	127.9270	0.000	1	128.5567	0.817	6	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5,5a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5,5a]C[6a])(C[5a]N[5,5a]H)(CC[5a]O)	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]C)(C[6a]C[6a]2){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a]C[5,5a]C[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5,5a]C[6a])(C[5a]N[5,5a]H)(CC[5a]O){2|C<3>,2|C<4>}	129.9080	0.000	1	129.9080	0.000	1	128.5567	0.817	6	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5,5a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5,5a]C[6a])(C[5a]N[5,5a]H)(CC[6a]O)	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]C)(C[6a]C[6a]2){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a]C[5,5a]C[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5,5a]C[6a])(C[5a]N[5,5a]H)(CC[6a]O){2|C<3>,2|C<4>}	128.8940	0.000	1	128.8940	0.000	1	128.5567	0.817	6	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5,5a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5,5a]C[6a])(C[5a]N[5,5a]C)(C[6a]C[6a]2)	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){2|C<4>,4|H<1>,5|C<3>}	C[6a](C[5a]C[5,5a]C[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5,5a]C[6a])(C[5a]N[5,5a]C)(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	129.5135	2.140	2	129.5135	4.581	2	129.5135	4.581	2	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5,5a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5a]O[5a])(N[5a]C[5,5a]N)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]N[5a])(C[6a]C[6a]2){1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5,5a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5a]O[5a])(N[5a]C[5,5a]N){1|H<1>,6|C<3>}	125.7595	0.575	2	125.7595	0.330	2	125.7595	0.330	2	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5,5a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5,5a]C[6a])(N[5a]C[5,5a]N)(C[6a]C[6a]2)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[6a](C[5a]C[5,5a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5,5a]C[6a])(N[5a]C[5,5a]N)(C[6a]C[6a]2){1|Cl<1>,1|H<1>,6|C<3>}	127.2480	0.000	1	127.0907	0.070	3	127.0907	0.070	3	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5,5a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5,5a]C[6a])(N[5a]C[5,5a]N)(C[6a]C[6a]2)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[6a](C[5a]C[5,5a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5,5a]C[6a])(N[5a]C[5,5a]N)(C[6a]C[6a]2){2|H<1>,6|C<3>}	127.0120	0.321	2	127.0907	0.070	3	127.0907	0.070	3	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:N-3:	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5,5a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(NCH)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]N[5a]N)(C[6a]C[6a]2){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[5a]C[5,5a]C[5a])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[5a](C[5a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(NCH){1|C<4>,3|C<3>}	128.4900	0.000	1	128.4900	0.000	1	128.4900	0.000	1	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C-3:	C[5a](C[5a,5a]N[5a,5a,6]C[5a])(C[5a]C[5a,6]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a])(CHO)	C[5a](C[5a,5a]N[5a,5a,6]C[5a])(C[5a]C[5a,6]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a])(CHO){1|H<1>,5|C<3>}	125.4130	0.000	1	125.4130	0.000	1	125.4130	0.000	1	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a,5a]N[5a,5a,6]C[5a,6a])(C[5a]C[5a,6]C[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]B)(C[6a]C[6a]H)	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a])(C[5a]N[5a]S[5a])	C[5a](C[5a,5a]N[5a,5a,6]C[5a,6a])(C[5a]C[5a,6]C[5a])(C[6a]C[6a]2){1|B<3>,1|H<1>,1|N<2>,1|S<2>,6|C<3>}	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]B)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a])(C[5a]N[5a]S[5a]){1|H<1>,7|C<3>}	126.1240	0.000	1	126.1240	0.000	1	126.1240	0.000	1	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](C[5a,5a]N[5a,5a,6]C[5a,6a])(C[5a]C[5a,6]C[6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]B)(C[6a]C[6a]H)	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a])(C[6]C[6]N[6])	C[5a](C[5a,5a]N[5a,5a,6]C[5a,6a])(C[5a]C[5a,6]C[6])(C[6a]C[6a]2){1|B<4>,1|H<1>,1|N<3>,7|C<3>}	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]B)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a])(C[6]C[6]N[6]){1|B<4>,2|H<1>,7|C<3>}	126.1505	0.231	2	126.1505	0.053	2	126.1505	0.053	2	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,5a]N[5a,5a,6]C[5a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a])(C[6a]C[6a]2)	C[5a](C[5a,5a]N[5a,5a,6]C[5a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,7|C<3>}	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,7|C<3>}	124.3790	0.000	1	124.2555	0.031	2	124.2555	0.031	2	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,5a]N[5a,5a,6]C[5a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a])(C[6a]C[6a]2)	C[5a](C[5a,5a]N[5a,5a,6]C[5a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,7|C<3>}	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	124.1320	0.000	1	124.2555	0.031	2	124.2555	0.031	2	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,5a]C[6a])(N[5a]C[5a,5a]H)(COO)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2{1|N<3>,1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,5a]C[6a])(N[5a]C[5a,5a]H)(COO){1|S<2>,3|C<3>}	130.5233	1.765	3	130.5233	3.114	3	130.5233	3.114	3	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[5])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]B)(C[6a]C[6a]H)	C[5a](C[5a,5a]N[5a,5a,6]C[5a,6a])(C[5a]C[5a,6]C[6a])(C[5]N[5]S[5])	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[5])(C[6a]C[6a]2){1|B<4>,1|N<3>,1|S<2>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]B)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a,5a]N[5a,5a,6]C[5a,6a])(C[5a]C[5a,6]C[6a])(C[5]N[5]S[5]){1|B<4>,8|C<3>}	128.2600	0.000	1	128.2600	0.000	1	128.2600	0.000	1	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]B)(C[6a]C[6a]H)	C[5a](C[5a,5a]N[5a,5a,6]C[5a,6a])(C[5a]C[5a,6]C[6a])(C[5a]N[5a]S[5a])	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[5a])(C[6a]C[6a]2){1|B<3>,1|N<2>,1|S<2>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]B)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a,5a]N[5a,5a,6]C[5a,6a])(C[5a]C[5a,6]C[6a])(C[5a]N[5a]S[5a]){8|C<3>}	127.4290	0.000	1	127.4290	0.000	1	127.4290	0.000	1	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a,5a]N[5a,5a,6]C[5a,6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]N[6a])	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a])(C[6a]C[6a]2){1|N<2>,3|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a,5a]N[5a,5a,6]C[5a,6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,8|C<3>}	130.0680	0.000	1	130.0680	0.000	1	127.4523	6.718	3	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a,5a]N[5a,5a,6]C[5a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]2)	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,7|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a,5a]N[5a,5a,6]C[5a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,7|C<3>}	124.8850	0.000	1	126.1445	3.173	2	127.4523	6.718	3	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a,5a]N[5a,5a,6]C[5a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]2)	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a,5a]N[5a,5a,6]C[5a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,7|C<3>}	127.4040	0.000	1	126.1445	3.173	2	127.4523	6.718	3	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6]N[5a,6,6]C[6,6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6]N[5a,6,6]C[6,6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]2)	C[5a](C[5a,6]N[5a,6,6]C[6,6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6,6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	122.7540	0.808	2	122.7540	0.652	2	127.4749	9.102	8	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6]N[5a,6,6]N[6])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6]N[5a,6,6]N[6])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]2)	C[5a](C[5a,6]N[5a,6,6]N[6])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]2){1|B<4>,1|N<2>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|N<3>,1|O<2>,3|C<3>}	C[5a](C[5a,6]N[5a,6,6]N[6])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]2){1|B<4>,1|N<2>,2|H<1>,5|C<3>}	129.0485	0.852	6	129.0485	0.727	6	127.4749	9.102	8	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6]N[5a,6,6a]C[6,6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6,6a]C[6a,6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]2)	C[5a](C[5a,6]N[5a,6,6a]C[6,6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,9|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6,6a]C[6a,6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]2){1|H<1>,9|C<3>}	124.3210	0.000	1	124.3210	0.000	1	124.4360	1.346	6	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6]N[5a,6,6a]C[6,6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]N[5a,6,6a]C[6a,6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]2)	C[5a](C[5a,6]N[5a,6,6a]C[6,6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6,6a]C[6a,6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	124.4018	1.488	4	124.4018	2.215	4	124.4360	1.346	6	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6]N[5a,6,6a]C[6,6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]N[5a,6,6a]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]2)	C[5a](C[5a,6]N[5a,6,6a]C[6,6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6,6a]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]2){1|H<1>,2|F<1>,7|C<3>}	124.6880	0.000	1	124.6880	0.000	1	124.4360	1.346	6	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[5a])(COO)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[5a])(COO){1|C<4>,1|N<3>,4|C<3>}	125.9540	0.000	1	125.9540	0.000	1	127.3781	6.160	12	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(COO)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(COO){1|C<4>,5|C<3>}	126.2240	0.000	1	126.2240	0.000	1	127.3781	6.160	12	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a,6]N[5a,6]C[5,6])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C)(CCO)	C[5a](C[5a,6]N[5a,6]C[5,6])(C[5a]C[5a]C)(C[6a]C[6a]2){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C)(CCO){2|C<3>,2|C<4>}	129.8420	0.000	1	129.8420	0.000	1	127.3781	6.160	12	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]H)(COO)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]H)(COO){2|C<3>,2|C<4>}	124.1500	0.718	2	124.1500	0.516	2	127.3781	6.160	12	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C)(COO)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2){1|B<4>,1|C<2>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C)(COO){1|B<4>,3|C<3>}	126.3215	1.133	2	127.8830	4.581	6	127.3781	6.160	12	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C)(COO)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2){1|B<4>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C)(COO){1|B<4>,3|C<3>}	128.6637	2.184	4	127.8830	4.581	6	127.3781	6.160	12	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(CCH)	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]C)(C[6a]C[6a]2){1|B<4>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(CCH){1|B<4>,1|N<2>,4|C<3>}	130.9190	0.000	1	130.9190	0.000	1	127.3781	6.160	12	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6]-3:	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]C[6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6]C[5a,6]2)	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]C[6])(C[6a]C[6a]2){1|B<4>,2|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6]C[5a,6]2){1|B<4>,1|N<2>,2|N<3>,6|C<3>}	129.1270	0.000	1	129.1270	0.000	1	129.1270	0.000	1	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a]2)	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|Br<1>,1|B<4>,1|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|O<2>,3|C<3>}	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a]2){1|B<4>,1|N<2>,2|H<1>,6|C<3>}	131.5270	0.000	1	131.5270	0.000	1	131.5270	0.000	1	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a]C[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(NOO)	C[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a]C[5a]N)(C[6a]C[6a]2){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(NOO){1|C<4>,5|C<3>}	129.7000	0.000	1	129.7000	0.000	1	130.7860	0.770	4	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(NOO)	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]N)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|N<3>}	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(NOO){1|C<4>,1|N<3>,4|C<3>}	131.1480	0.607	3	131.1480	0.369	3	130.7860	0.770	4	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(COO)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(C[6a]C[6a]2){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(COO){1|C<4>,3|C<3>}	128.5130	0.000	1	128.5130	0.000	1	128.5130	0.000	1	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]2)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	124.6460	0.000	1	124.6460	0.000	1	124.6460	0.000	1	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]B[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](B[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]B[5a]C[6a])(C[6a]C[6a]2){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|B<3>,1|N<3>,2|H<1>,3|C<3>}	C[5a](B[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	124.1230	0.000	1	124.1230	0.000	1	124.1230	0.000	1	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]N[5a,6,6a]C[6a,6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a,6]N[5a,6,6a]C[6,6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]N[5a,6,6a]C[6a,6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]2){1|H<1>,9|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a,6]N[5a,6,6a]C[6,6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,9|C<3>}	123.9160	0.000	1	123.9160	0.000	1	123.5992	1.821	6	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]N[5a,6,6a]C[6a,6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6]N[5a,6,6a]C[6,6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]N[5a,6,6a]C[6a,6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a,6]N[5a,6,6a]C[6,6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	123.3930	1.691	4	123.3930	2.858	4	123.5992	1.821	6	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]N[5a,6,6a]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]F)2	C[5a](C[5a,6]N[5a,6,6a]C[6,6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]N[5a,6,6a]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]2){1|H<1>,2|F<1>,7|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]F)2{1|N<3>,2|F<1>,4|C<3>}	C[5a](C[5a,6]N[5a,6,6a]C[6,6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	124.1070	0.000	1	124.1070	0.000	1	123.5992	1.821	6	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C)(CC[6a]O)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|Cl<1>,1|C<2>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C)(CC[6a]O){4|C<3>}	131.1650	0.000	1	131.1650	0.000	1	129.5241	4.438	7	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C)(COO)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,2|C<4>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C)(COO){4|C<3>}	131.2110	0.000	1	131.2110	0.000	1	129.5241	4.438	7	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C)(CCO)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C)(CCO){4|C<3>}	129.1670	0.000	1	129.1670	0.000	1	129.5241	4.438	7	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C)(CC[6a]O)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<2>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C)(CC[6a]O){4|C<3>}	130.9780	0.000	1	130.9780	0.000	1	129.5241	4.438	7	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C[6a])(CC[6a]C)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C[6a])(CC[6a]C){6|C<3>}	125.3390	0.000	1	125.3390	0.000	1	129.5241	4.438	7	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]H)(CCO)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){4|C<3>,4|H<1>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]H)(CCO){4|C<3>}	130.2120	0.000	1	130.2120	0.000	1	129.5241	4.438	7	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]H)(COO)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){4|C<3>,4|H<1>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|O<2>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]H)(COO){4|C<3>}	128.5970	0.000	1	128.5970	0.000	1	129.5241	4.438	7	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	125.5760	0.000	1	125.5760	0.000	1	125.5760	0.000	1	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5a](C[5a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]N)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|Br<1>,1|H<1>,1|N<3>,7|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]N){1|O<2>,7|C<3>}	125.8560	0.000	1	125.8560	0.000	1	124.9620	1.598	2	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]N)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<3>,2|H<1>,7|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]N){1|O<2>,7|C<3>}	124.0680	0.000	1	124.0680	0.000	1	124.9620	1.598	2	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(CCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|H<1>,1|O<1>,2|N<3>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(CCH){1|N<3>,5|C<3>}	125.4670	0.000	1	125.4670	0.000	1	127.8170	2.382	23	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(CNN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(CNN){4|C<3>}	127.6400	0.000	1	127.6400	0.000	1	127.8170	2.382	23	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(CCC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(CCC){4|C<3>}	126.4800	0.000	1	126.4800	0.000	1	127.8170	2.382	23	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(CCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(CCH){4|C<3>}	127.5583	1.644	4	127.5583	2.703	4	127.8170	2.382	23	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(CC[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(CC[6a]O){4|C<3>}	125.4250	0.000	1	125.4250	0.000	1	127.8170	2.382	23	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(CCO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(CCO){1|N<2>,5|C<3>}	128.3340	0.000	1	128.3340	0.000	1	127.8170	2.382	23	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(CNO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){4|C<3>,4|H<1>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(CNO){4|C<3>}	128.2510	0.771	5	128.2510	0.594	5	127.8170	2.382	23	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(COO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(COO){4|C<3>}	124.5520	0.000	1	128.6527	4.285	6	127.8170	2.382	23	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(COO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(COO){1|N<3>,3|C<3>}	128.7330	0.000	1	128.6527	4.285	6	127.8170	2.382	23	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(COO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){4|C<3>,4|H<1>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(COO){4|C<3>}	129.6577	0.432	4	128.6527	4.285	6	127.8170	2.382	23	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(CCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|S<4>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(CCH){4|C<3>}	128.0280	0.994	2	128.0280	0.988	2	127.8170	2.382	23	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(CC[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|S<4>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(CC[6a]O){4|C<3>}	126.9860	0.000	1	126.9860	0.000	1	127.8170	2.382	23	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C[5]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[5]C[5]N[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(C[6a]C[6a]2){1|Cl<1>,1|N<2>,2|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[5]C[5]N[5]){1|O<1>,6|C<3>}	127.3680	0.000	1	127.3680	0.000	1	127.6230	0.058	3	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C[5]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[5]C[5]N[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(C[6a]C[6a]2){1|N<2>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[5]C[5]N[5]){1|O<1>,6|C<3>}	127.6530	0.000	1	127.6530	0.000	1	127.6230	0.058	3	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C[5]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[5]C[5]N[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(C[6a]C[6a]2){1|N<2>,3|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[5]C[5]N[5]){1|O<1>,6|C<3>}	127.8480	0.000	1	127.8480	0.000	1	127.6230	0.058	3	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,2|H<1>,7|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	123.6825	0.336	2	124.2013	0.864	3	126.7250	1.818	31	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	125.2390	0.000	1	124.2013	0.864	3	126.7250	1.818	31	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|F<1>,2|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	125.3740	0.000	1	126.9765	1.236	10	126.7250	1.818	31	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|N<2>,3|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	126.6615	0.104	2	126.9765	1.236	10	126.7250	1.818	31	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	127.3317	1.376	4	126.9765	1.236	10	126.7250	1.818	31	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	127.2470	0.985	3	126.9765	1.236	10	126.7250	1.818	31	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	126.0690	0.000	1	126.0690	0.000	1	126.7250	1.818	31	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	127.5520	0.000	1	126.9042	0.259	6	126.7250	1.818	31	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,7|C<3>}	126.7746	0.444	5	126.9042	0.259	6	126.7250	1.818	31	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<2>,3|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	125.6580	0.023	2	127.2014	2.217	9	126.7250	1.818	31	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	125.9440	0.580	2	127.2014	2.217	9	126.7250	1.818	31	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	128.3218	0.894	5	127.2014	2.217	9	126.7250	1.818	31	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N)(C[6a]C[6a]2){2|H<1>,6|C<3>}	126.5880	0.000	1	126.5880	0.000	1	126.7250	1.818	31	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|S<4>,3|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]2){2|H<1>,6|C<3>}	127.2120	0.000	1	127.2120	0.000	1	126.7250	1.818	31	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:N-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a,6a]O)(C[6a]O[6a]H)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(NHS)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a,6a]O)(C[6a]O[6a]H){2|N<3>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(NHS){4|C<3>}	127.8725	0.049	2	127.8725	0.002	2	127.3462	0.456	10	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:N-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(NHS)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|N<3>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(NHS){4|C<3>}	125.9790	0.000	1	125.9790	0.000	1	127.3462	0.456	10	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:N-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(NC[6a]S)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(NC[6a]S){4|C<3>}	126.7280	0.000	1	126.7280	0.000	1	127.3462	0.456	10	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:N-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(NHS)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(NHS){4|C<3>}	127.6080	0.000	1	127.6080	0.000	1	127.3462	0.456	10	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:N-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(NHS)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(NHS){1|N<2>,5|C<3>}	127.8280	0.000	1	127.8280	0.000	1	127.3462	0.456	10	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:N-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(NCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2){4|C<3>,4|H<1>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(NCH){4|C<3>}	127.0115	0.439	2	127.0115	0.193	2	127.3462	0.456	10	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:N-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(NCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2){1|S<4>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(NCH){4|C<3>}	127.7755	0.456	2	127.7755	0.208	2	127.3462	0.456	10	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5,5a]C[6a])(C[5a]N[5,5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](C[5a]C[5,5a]C[6a])(C[5a]N[5,5a]C)(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){2|C<4>,4|H<1>,5|C<3>}	126.6420	0.378	2	126.6420	0.143	2	126.6420	0.143	2	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a]C[5a]C[6a])(COO)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a]C[5a]C[6a])(COO){1|N<3>,2|C<4>,3|C<3>}	129.5560	0.000	1	129.5560	0.000	1	126.6795	4.010	4	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C[6a])(CCO)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C[6a])(CCO){1|C<4>,5|C<3>}	125.7630	0.000	1	125.7630	0.000	1	126.6795	4.010	4	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C[6a])(CC[6a]O)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C[6a])(CC[6a]O){1|C<4>,5|C<3>}	124.9940	0.000	1	124.9940	0.000	1	126.6795	4.010	4	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(CC[6a]O)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(CC[6a]O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	126.4050	0.000	1	126.4050	0.000	1	126.6795	4.010	4	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a]2){1|B<4>,1|N<2>,2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|Br<1>,1|B<4>,1|H<1>,6|C<3>}	128.0680	0.000	1	128.0680	0.000	1	128.0680	0.000	1	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])(COO)	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])(COO){1|C<4>,1|H<1>,4|C<3>}	127.5335	0.681	2	127.7200	0.336	3	128.6691	1.720	7	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])(COO)	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])(COO){1|H<1>,5|C<3>}	128.0930	0.000	1	127.7200	0.336	3	128.6691	1.720	7	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])(COO)	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])(COO){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	128.5450	1.451	2	129.3810	1.640	4	128.6691	1.720	7	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])(COO)	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])(COO){2|H<1>,4|C<3>}	130.2170	0.139	2	129.3810	1.640	4	128.6691	1.720	7	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	125.2010	0.000	1	125.2010	0.000	1	125.2010	0.000	1	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C-3:N[5a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(CC[5a]C[6a])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(CC[5a]C[6a])(N[5a]C[5a]H){4|C<3>}	123.5109	1.577	14	123.5109	2.486	14	123.5109	2.486	14	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5]-3:N[5a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[5])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5]N[5]S[5])(N[5a]C[5a]Cu)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[5])(C[6a]C[6a]2){1|Cu<4>,1|N<3>,1|S<2>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5]N[5]S[5])(N[5a]C[5a]Cu){1|H<1>,6|C<3>}	127.4330	0.000	1	126.9545	0.210	4	124.9757	6.721	12	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5]-3:N[5a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[5])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5]N[5]S[5])(N[5a]C[5a]Cu)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[5])(C[6a]C[6a]2){1|Cu<4>,1|N<3>,1|S<2>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5]N[5]S[5])(N[5a]C[5a]Cu){6|C<3>}	126.7950	0.403	3	126.9545	0.210	4	124.9757	6.721	12	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5]-3:N[5a]-3:	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5]C[5]N[5])(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(C[6a]C[6a]2){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5]C[5]N[5])(N[5a]C[5a]H){1|H<1>,6|C<3>}	123.1910	1.549	7	123.1910	2.398	7	124.9757	6.721	12	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5]-3:N[5a]-3:	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5]C[5]S[5])(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(C[6a]C[6a]2){1|S<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5]C[5]S[5])(N[5a]C[5a]H){1|C<4>,3|H<1>,4|C<3>}	129.5530	0.000	1	129.5530	0.000	1	124.9757	6.721	12	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]F)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(COO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,1|H<1>,2|C<3>,2|F<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]F)2{1|C<4>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(COO){1|C<4>,1|H<1>,2|C<3>}	127.7878	0.525	4	127.7878	0.275	4	128.2431	3.761	93	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]O)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]O){1|H<1>,5|C<3>}	124.6100	0.000	1	124.6100	0.000	1	128.2431	3.761	93	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(COO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(COO){2|C<4>,4|C<3>}	128.7930	0.000	1	128.7930	0.000	1	128.2431	3.761	93	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCO){1|C<4>,1|H<1>,2|C<3>}	128.1290	0.000	1	127.4963	0.981	9	128.2431	3.761	93	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCO){1|H<1>,3|C<3>}	127.4592	1.290	5	127.4963	0.981	9	128.2431	3.761	93	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCO){2|C<3>,2|C<4>}	127.6665	0.326	2	127.4963	0.981	9	128.2431	3.761	93	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCO){1|C<4>,1|H<1>,2|C<3>}	126.7090	0.000	1	127.4963	0.981	9	128.2431	3.761	93	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CC[6a]O)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CC[6a]O){1|C<4>,1|H<1>,2|C<3>}	125.8260	0.000	1	125.8260	0.000	1	128.2431	3.761	93	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(COO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(COO){1|H<1>,3|C<3>}	126.8173	1.624	3	126.8173	2.638	3	128.2431	3.761	93	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CC[6a]O)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){2|C<3>,4|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CC[6a]O){1|H<1>,3|C<3>}	126.5230	0.000	1	126.5230	0.000	1	128.2431	3.761	93	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(COO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(COO){1|N<3>,2|H<1>,3|C<3>}	131.5580	0.000	1	129.6423	2.780	3	128.2431	3.761	93	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(COO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(COO){1|N<3>,2|H<1>,3|C<3>}	128.6845	0.237	2	129.6423	2.780	3	128.2431	3.761	93	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]C)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]C){1|C<4>,1|H<1>,4|C<3>}	129.0380	0.000	1	129.0380	0.000	1	128.2431	3.761	93	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCH){2|C<3>,2|H<1>}	129.0270	0.000	1	129.0270	0.000	1	128.2431	3.761	93	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCO){1|H<1>,3|C<3>}	129.3527	0.760	3	129.6995	0.631	6	128.2431	3.761	93	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCO){1|C<4>,1|H<1>,2|C<3>}	130.3535	0.842	2	129.6995	0.631	6	128.2431	3.761	93	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCO){1|C<4>,1|H<1>,2|C<3>}	129.4320	0.000	1	129.6995	0.631	6	128.2431	3.761	93	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(COO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(COO){1|H<1>,3|C<3>}	131.7030	0.000	1	131.7030	0.000	1	128.2431	3.761	93	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(COO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2){2|C<3>,4|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(COO){2|C<3>,2|H<1>}	129.6480	0.000	1	129.6480	0.000	1	128.2431	3.761	93	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S)(CC[5a]O)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S)(CC[5a]O){1|H<1>,3|C<3>}	126.9220	0.000	1	126.9220	0.000	1	128.2431	3.761	93	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S)(CC[6a]O)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S)(CC[6a]O){1|H<1>,3|C<3>}	130.5340	0.000	1	130.5340	0.000	1	128.2431	3.761	93	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]Sn)(CC[6a]O)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2){1|Sn<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]Sn)(CC[6a]O){1|H<1>,3|C<3>}	127.2150	0.000	1	127.2150	0.000	1	128.2431	3.761	93	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CNO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(C[6a]C[6a]2){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CNO){1|H<1>,1|N<3>,4|C<3>}	125.1960	0.000	1	125.1960	0.000	1	128.2431	3.761	93	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(COO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(C[6a]C[6a]2){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(COO){1|H<1>,1|N<2>,4|C<3>}	130.1130	0.000	1	130.1130	0.000	1	128.2431	3.761	93	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(C[6a]C[6a]2){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCO){1|H<1>,1|N<3>,2|C<3>}	129.8680	0.000	1	129.8680	0.000	1	128.2431	3.761	93	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CNO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(C[6a]C[6a]2){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CNO){1|N<3>,3|C<3>}	128.1135	0.207	2	128.1135	0.043	2	128.2431	3.761	93	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCO){1|H<1>,1|O<2>,2|C<3>}	129.4296	1.103	12	129.4296	1.218	12	128.2431	3.761	93	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(CC[6a]O)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(C[6a]C[6a]2){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(CC[6a]O){5|C<3>}	126.4670	0.000	1	126.4670	0.000	1	128.2431	3.761	93	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(COO)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(C[6a]C[6a]2){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(COO){1|C<4>,4|C<3>}	127.6060	0.000	1	127.6060	0.000	1	128.2431	3.761	93	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)(CCO)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(C[6a]C[6a]2){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)(CCO){3|C<3>}	128.6060	0.000	1	128.6060	0.000	1	128.2431	3.761	93	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]O)(COO)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(C[6a]C[6a]2){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]O)(COO){3|C<3>}	128.6837	1.176	3	128.6837	1.383	3	128.2431	3.761	93	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]O[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(COO)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]N)(C[6a]C[6a]2){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(COO){1|N<3>,4|C<3>}	125.2780	0.000	1	125.2780	0.000	1	128.2431	3.761	93	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)(COO)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(C[6a]C[6a]2){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<2>,1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)(COO){1|C<2>,2|C<3>}	124.0860	0.000	1	124.0860	0.000	1	128.2431	3.761	93	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)(CC[6a]O)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(C[6a]C[6a]2){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|S<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)(CC[6a]O){3|C<3>}	124.7660	0.000	1	124.7660	0.000	1	128.2431	3.761	93	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)(COO)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|S<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)(COO){3|C<3>}	123.7100	0.000	1	123.7100	0.000	1	128.2431	3.761	93	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N[6])(CC[6a]O)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|S<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N[6])(CC[6a]O){1|H<1>,2|C<3>,2|C<4>}	125.7420	0.000	1	125.7420	0.000	1	128.2431	3.761	93	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(CCO)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(CCO){1|H<1>,1|N<3>,4|C<3>}	130.5640	0.000	1	130.5640	0.000	1	128.2431	3.761	93	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(COO)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(COO){1|H<1>,1|N<3>,4|C<3>}	127.0745	1.841	4	128.3967	4.893	9	128.2431	3.761	93	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(COO)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|S<2>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(COO){1|H<1>,1|N<3>,4|C<3>}	127.0890	0.000	1	128.3967	4.893	9	128.2431	3.761	93	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(COO)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|Zn<5>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(COO){1|Zn<5>,1|N<3>,4|C<3>}	130.0457	1.770	4	128.3967	4.893	9	128.2431	3.761	93	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(COO)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(COO){4|C<3>}	127.0200	0.000	1	127.0200	0.000	1	128.2431	3.761	93	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(COO)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(COO){1|H<1>,1|N<3>,4|C<3>}	125.3660	0.000	1	125.3660	0.000	1	128.2431	3.761	93	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(COO)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(COO){1|H<1>,5|C<3>}	126.5490	0.000	1	126.5490	0.000	1	128.2431	3.761	93	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CC[6a]O)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CC[6a]O){1|C<4>,3|C<3>}	128.8130	0.000	1	128.8130	0.000	1	128.2431	3.761	93	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CNO)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CNO){1|C<4>,3|C<3>}	126.9040	0.619	2	126.9040	0.384	2	128.2431	3.761	93	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CC[6a]O)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CC[6a]O){4|C<3>}	124.7650	0.000	1	124.7650	0.000	1	128.2431	3.761	93	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(CC[6a]O)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(CC[6a]O){5|C<3>}	130.6980	0.000	1	130.6980	0.000	1	128.2431	3.761	93	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(CNO)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(CNO){5|C<3>}	125.9760	0.000	1	125.9760	0.000	1	128.2431	3.761	93	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(COO)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(COO){5|C<3>}	127.4560	0.904	2	127.4560	0.817	2	128.2431	3.761	93	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]H)(COO)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]H)(COO){3|C<3>}	127.8030	0.000	1	127.8030	0.000	1	128.2431	3.761	93	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(COO)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(C[6a]C[6a]2){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(COO){1|H<1>,1|N<3>,4|C<3>}	130.2653	1.509	7	130.2653	2.278	7	128.2431	3.761	93	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]2)(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a]){1|N<3>,8|C<3>}	124.3751	0.781	7	124.3751	0.611	7	124.3751	0.611	7	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2){1|N<2>,1|S<2>,3|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2){1|N<2>,1|S<2>,3|H<1>,5|C<3>}	125.7107	1.130	4	125.7107	1.276	4	125.8644	5.709	190	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2){1|Cu<4>,1|N<3>,2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|Cu<4>,2|H<1>,5|C<3>}	126.8917	0.733	3	126.8917	0.537	3	125.8644	5.709	190	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]O[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]C)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]O[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]O[5a])(C[6a]C[6a]2){2|C<4>,7|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]C)2{1|O<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]O[5a])(C[6a]C[6a]2){2|C<4>,7|C<3>}	126.2100	0.000	1	126.2100	0.000	1	125.8644	5.709	190	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])(C[6a]C[6a]2){1|O<2>,3|H<1>,6|C<3>}	127.0753	1.778	3	127.0753	3.160	3	125.8644	5.709	190	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|S<4>,3|H<1>,6|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|S<4>,2|H<1>,5|C<3>}	124.9220	0.000	1	124.9220	0.000	1	125.8644	5.709	190	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	126.1230	0.232	4	126.1230	0.054	4	125.8644	5.709	190	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|S<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	122.8359	1.102	8	122.8359	1.215	8	125.8644	5.709	190	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]F)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,1|H<1>,2|F<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]F)2{1|C<4>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,1|H<1>,2|F<1>,4|C<3>}	126.3505	0.946	4	126.3505	0.894	4	125.8644	5.709	190	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|Cu<4>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2){1|Cu<4>,1|N<3>,2|H<1>,6|C<3>}	126.7923	2.770	3	126.7923	7.671	3	125.8644	5.709	190	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	125.7261	2.037	7	125.5432	6.411	91	125.8644	5.709	190	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|Co<4>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|Co<4>,2|H<1>,5|C<3>}	122.5990	0.183	3	125.5432	6.411	91	125.8644	5.709	190	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|Co<6>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|Co<6>,2|H<1>,5|C<3>}	126.7022	2.946	4	125.5432	6.411	91	125.8644	5.709	190	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|Cu<4>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|Cu<4>,2|H<1>,5|C<3>}	123.1821	1.413	9	125.5432	6.411	91	125.8644	5.709	190	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|Fe<4>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|Fe<4>,1|C<4>,2|H<1>,4|C<3>}	128.2092	0.823	4	125.5432	6.411	91	125.8644	5.709	190	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|Ni<4>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|Ni<4>,2|H<1>,5|C<3>}	129.1085	0.602	4	125.5432	6.411	91	125.8644	5.709	190	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|Ni<5>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|Ni<5>,2|H<1>,5|C<3>}	123.1360	0.191	2	125.5432	6.411	91	125.8644	5.709	190	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|Sn<6>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|Sn<6>,2|H<1>,5|C<3>}	122.4805	1.643	4	125.5432	6.411	91	125.8644	5.709	190	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|Zn<5>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|Zn<5>,2|H<1>,5|C<3>}	121.8120	0.778	8	125.5432	6.411	91	125.8644	5.709	190	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	127.2543	0.836	7	125.5432	6.411	91	125.8644	5.709	190	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	126.4195	1.765	39	125.5432	6.411	91	125.8644	5.709	190	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]Cl)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|Cl<1>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]Cl)(C[6a]C[6a]2){3|H<1>,5|C<3>}	122.8127	0.725	3	122.8127	0.526	3	125.8644	5.709	190	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	128.0700	0.000	1	128.0700	0.000	1	125.8644	5.709	190	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[5])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[5])(C[6a]C[6a]2){1|Cu<4>,1|N<3>,1|S<2>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[5])(C[6a]C[6a]2){1|Cu<4>,1|N<3>,1|S<2>,2|H<1>,5|C<3>}	126.8227	0.501	4	126.8227	0.251	4	125.8644	5.709	190	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])(C[6a]C[6a]2){1|O<2>,3|H<1>,6|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	125.8477	0.581	3	125.8477	0.337	3	125.8644	5.709	190	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])(C[6a]C[6a]2){1|Sn<3>,1|N<3>,2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])(C[6a]C[6a]2){1|Sn<3>,1|N<3>,2|H<1>,6|C<3>}	125.4779	1.689	14	125.7268	2.541	18	125.8644	5.709	190	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])(C[6a]C[6a]2){1|Sn<4>,1|N<3>,2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])(C[6a]C[6a]2){1|Sn<4>,1|N<3>,2|H<1>,6|C<3>}	126.5980	0.861	4	125.7268	2.541	18	125.8644	5.709	190	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])(C[6a]C[6a]2){1|O<2>,4|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	124.2820	0.988	3	124.2820	0.977	3	125.8644	5.709	190	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]Cl)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]Cl)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|Cl<1>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|Cl<1>,3|H<1>,4|C<3>}	126.7623	0.128	3	126.7623	0.016	3	125.8644	5.709	190	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|S<4>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|S<4>,3|H<1>,6|C<3>}	127.5350	0.000	1	127.5350	0.000	1	125.8644	5.709	190	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	129.4410	0.000	1	129.4410	0.000	1	125.8644	5.709	190	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])(C[6a]C[6a]2){1|O<2>,4|H<1>,5|C<3>}	129.3487	0.398	3	129.3487	0.159	3	125.8644	5.709	190	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	130.3020	0.083	2	129.6303	0.495	6	125.8644	5.709	190	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	129.2945	0.609	4	129.6303	0.495	6	125.8644	5.709	190	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2){1|Pt<4>,1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2){1|Pt<4>,1|N<2>,2|H<1>,4|C<3>}	129.6207	1.219	6	129.6207	1.486	6	125.8644	5.709	190	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	127.2320	0.000	1	126.6102	0.921	6	125.8644	5.709	190	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	126.6650	0.000	1	126.6102	0.921	6	125.8644	5.709	190	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	126.4410	1.169	4	126.6102	0.921	6	125.8644	5.709	190	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)(C[6a]C[6a]2){1|C<2>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<2>,1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)(C[6a]C[6a]2){1|C<2>,2|H<1>,4|C<3>}	125.3410	0.730	2	124.1017	1.257	8	125.8644	5.709	190	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|S<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	123.6887	0.914	6	124.1017	1.257	8	125.8644	5.709	190	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]H)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|S<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]H)(C[6a]C[6a]2){3|H<1>,4|C<3>}	125.2030	0.314	2	125.2030	0.099	2	125.8644	5.709	190	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)(NOO)	C[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)(NOO){1|C<4>,3|C<3>}	128.3130	0.000	1	128.3130	0.000	1	128.9966	2.974	8	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(NCH)	C[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{2|C<3>,2|N<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(NCH){1|C<4>,1|H<1>,4|C<3>}	131.0400	0.000	1	131.0400	0.000	1	128.9966	2.974	8	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)(NCH)	C[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{2|C<3>,2|N<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)(NCH){1|H<1>,3|C<3>}	130.1810	0.202	3	130.1810	0.041	3	128.9966	2.974	8	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(C[5a]O[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(NHS)	C[5a](C[5a]C[5a]N)(C[5a]O[5a]C)(C[6a]C[6a]2){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(NHS){1|C<4>,4|C<3>}	126.5040	0.000	1	126.5040	0.000	1	128.9966	2.974	8	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(NOO)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]2){4|C<3>,4|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(NOO){1|H<1>,3|C<3>}	127.7865	1.655	2	127.7865	2.740	2	128.9966	2.974	8	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N[5]-3:	C[5a](C[5a]C[5a]N[5])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(N[5]C[5]2)	C[5a](C[5a]C[5a]N[5])(C[5a]N[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{2|C<3>,2|N<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(N[5]C[5]2){1|N<2>,1|N<3>,4|C<3>,4|H<1>}	128.6360	0.000	1	129.1435	0.515	2	129.3153	0.346	3	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N[5]-3:	C[5a](C[5a]C[5a]N[5])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(N[5]C[5]2)	C[5a](C[5a]C[5a]N[5])(C[5a]N[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{2|C<3>,2|N<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(N[5]C[5]2){1|N<3>,4|H<1>,5|C<3>}	129.6510	0.000	1	129.1435	0.515	2	129.3153	0.346	3	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N[5]-3:	C[5a](C[5a]C[5a]N[5])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(N[5]C[5]N[5])	C[5a](C[5a]C[5a]N[5])(C[5a]N[5a]H)(C[6a]C[6a]2){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{2|C<3>,2|N<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(N[5]C[5]N[5]){1|Se<1>,1|N<3>,2|H<1>,5|C<3>}	129.6590	0.000	1	129.6590	0.000	1	129.3153	0.346	3	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(N[5a]C[5a]Cu)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2){1|Cu<4>,1|N<3>,2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(N[5a]C[5a]Cu){7|C<3>}	126.8233	0.612	3	126.8233	0.374	3	125.5868	4.177	18	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S[5a])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2){1|N<2>,1|S<2>,3|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S[5a])(N[5a]C[5a]H){6|C<3>}	127.1020	1.405	4	127.1020	1.975	4	125.5868	4.177	18	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,1|N<3>,8|C<3>}	126.0750	0.000	1	126.0750	0.000	1	125.5868	4.177	18	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(N[5a]C[5a]H){2|H<1>,6|C<3>}	124.8998	2.533	5	124.8998	6.416	5	125.5868	4.177	18	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(N[5a]C[5a]Zn)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|Zn<5>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(N[5a]C[5a]Zn){1|H<1>,6|C<3>}	123.8127	1.792	4	123.8127	3.213	4	125.5868	4.177	18	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]S[5a])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|S<2>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]S[5a])(N[5a]C[5a]H){1|H<1>,6|C<3>}	125.8600	0.000	1	125.8600	0.000	1	125.5868	4.177	18	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N[6]-3:	C[5a](C[5a]C[5a]N[6])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(N[6]C[6]2)	C[5a](C[5a]C[5a]N[6])(C[5a]N[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{2|C<3>,2|N<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(N[6]C[6]2){4|H<1>,6|C<3>}	130.4410	0.000	1	130.4410	0.000	1	130.4410	0.000	1	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6]-3:N[5a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[6]C[6]N[6])(N[5a]C[5a]Sn)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])(C[6a]C[6a]2){1|Sn<3>,1|N<3>,2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6]C[6]N[6])(N[5a]C[5a]Sn){1|H<1>,6|C<3>}	128.0841	1.760	14	127.8114	2.834	18	128.6089	3.688	41	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6]-3:N[5a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[6]C[6]N[6])(N[5a]C[5a]Sn)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])(C[6a]C[6a]2){1|Sn<4>,1|N<3>,2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6]C[6]N[6])(N[5a]C[5a]Sn){1|H<1>,6|C<3>}	126.8568	1.040	4	127.8114	2.834	18	128.6089	3.688	41	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6]-3:N[5a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[6]C[6]O[6])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])(C[6a]C[6a]2){1|O<2>,3|H<1>,6|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6]C[6]O[6])(N[5a]C[5a]H){1|B<4>,1|H<1>,5|C<3>}	127.3183	0.493	3	128.1797	1.457	6	128.6089	3.688	41	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6]-3:N[5a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[6]C[6]O[6])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])(C[6a]C[6a]2){1|O<2>,4|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6]C[6]O[6])(N[5a]C[5a]H){1|B<4>,2|H<1>,4|C<3>}	129.0410	1.084	3	128.1797	1.457	6	128.6089	3.688	41	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6]-3:N[5a]-3:	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[6]C[6]N[6])(N[5a]C[5a]Ir)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|Ir<6>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[6]C[6]N[6])(N[5a]C[5a]Ir){2|H<1>,5|C<3>}	130.5395	1.100	2	130.5395	1.209	2	128.6089	3.688	41	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6]-3:N[5a]-3:	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[6]C[6]N[6])(N[5a]C[5a]Ni)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|Ni<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[6]C[6]N[6])(N[5a]C[5a]Ni){2|H<1>,5|C<3>}	128.6840	1.615	3	128.6840	2.607	3	128.6089	3.688	41	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6]-3:N[5a]-3:	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[6]C[6]N[6])(N[5a]C[5a]Pt)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|Pt<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[6]C[6]N[6])(N[5a]C[5a]Pt){2|H<1>,5|C<3>}	129.4710	0.000	1	130.8862	6.050	5	128.6089	3.688	41	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6]-3:N[5a]-3:	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[6]C[6]N[6])(N[5a]C[5a]Pt)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|Pt<5>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[6]C[6]N[6])(N[5a]C[5a]Pt){2|H<1>,5|C<3>}	131.2400	2.689	4	130.8862	6.050	5	128.6089	3.688	41	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6]-3:N[5a]-3:	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[6]C[6]N[6])(N[5a]C[5a]Rh)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|Rh<6>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[6]C[6]N[6])(N[5a]C[5a]Rh){2|H<1>,5|C<3>}	131.5230	0.000	1	131.5230	0.000	1	128.6089	3.688	41	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6]-3:N[5a]-3:	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[6]C[6]O[6])(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[6]C[6]O[6])(N[5a]C[5a]H){1|B<4>,2|H<1>,4|C<3>}	128.9630	1.018	2	128.9630	1.037	2	128.6089	3.688	41	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6]-3:N[5a]-3:	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]I)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[6]C[6]O[6])(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]I)(C[6a]C[6a]2){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|I<1>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6]C[6]O[6])(N[5a]C[5a]H){1|B<4>,1|H<1>,1|I<1>,4|C<3>}	128.0675	1.227	4	128.0675	1.506	4	128.6089	3.688	41	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|N<2>,3|C<3>,4|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|Cl<1>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H){3|H<1>,4|C<3>}	129.9630	0.000	1	129.9630	0.000	1	129.9630	0.000	1	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,6|C<3>}	125.3277	1.517	3	125.3277	2.300	3	126.9285	3.185	18	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]S)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|S<4>,3|H<1>,6|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]S){3|H<1>,5|C<3>}	126.1900	0.000	1	126.1900	0.000	1	126.9285	3.185	18	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]C){2|H<1>,6|C<3>}	124.2710	0.000	1	125.0260	0.507	3	126.9285	3.185	18	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,2|H<1>,5|C<3>}	125.4035	0.400	2	125.0260	0.507	3	126.9285	3.185	18	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,6|C<3>}	127.3810	0.000	1	127.3810	0.000	1	126.9285	3.185	18	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H){3|H<1>,5|C<3>}	128.2530	0.000	1	128.2530	0.000	1	126.9285	3.185	18	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,2|H<1>,5|C<3>}	127.6090	0.000	1	128.3920	1.226	2	126.9285	3.185	18	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){4|C<3>,4|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H){4|C<3>,4|H<1>}	129.1750	0.000	1	128.3920	1.226	2	126.9285	3.185	18	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]H){1|C<4>,2|H<1>,4|C<3>}	129.6710	0.000	1	128.2760	2.834	3	126.9285	3.185	18	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]H){2|H<1>,5|C<3>}	127.5785	1.658	2	128.2760	2.834	3	126.9285	3.185	18	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]2){4|C<3>,4|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H){1|N<3>,3|H<1>,4|C<3>}	127.1990	1.679	2	127.1990	2.818	2	126.9285	3.185	18	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[6a]N[5a])	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){2|H<1>,2|N<2>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[6a]N[5a]){1|C<4>,1|H<1>,6|C<3>}	129.6350	0.000	1	129.6350	0.000	1	126.9285	3.185	18	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]H){2|H<1>,5|C<3>}	126.1830	0.000	1	126.1830	0.000	1	126.9285	3.185	18	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[6a]O)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[6a]O){1|C<4>,3|C<3>}	125.2400	0.000	1	125.2400	0.000	1	127.8710	4.634	114	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(COO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(COO){1|C<4>,1|H<1>,2|C<3>}	127.9230	0.000	1	127.9230	0.000	1	127.8710	4.634	114	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CCO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CCO){2|C<3>,2|C<4>}	128.3175	1.015	4	128.3175	1.030	4	127.8710	4.634	114	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[6a]O)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[6a]O){1|C<2>,3|C<3>}	128.4980	1.446	3	128.6713	1.515	4	127.8710	4.634	114	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[6a]O)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[6a]O){4|C<3>}	129.1910	0.000	1	128.6713	1.515	4	127.8710	4.634	114	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CNO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CNO){1|C<4>,3|C<3>}	125.4725	1.873	2	125.4725	3.509	2	127.8710	4.634	114	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CN[5a]O)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CN[5a]O){1|C<4>,3|C<3>}	126.8053	1.520	4	126.8053	2.310	4	127.8710	4.634	114	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(COO){1|C<4>,3|C<3>}	125.8190	0.393	2	126.2600	0.661	3	127.8710	4.634	114	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){2|C<3>,4|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(COO){1|H<1>,3|C<3>}	127.1420	0.000	1	126.2600	0.661	3	127.8710	4.634	114	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Co)(CC[5a]C[6a])	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|Co<4>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Co)(CC[5a]C[6a]){4|C<3>}	130.2203	0.404	3	130.2203	0.163	3	127.8710	4.634	114	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Co)(CNS)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|Co<6>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Co)(CNS){4|C<3>}	126.5867	2.652	4	126.5867	7.033	4	127.8710	4.634	114	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Cu)(CC[5a]C[6a])	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|Cu<4>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Cu)(CC[5a]C[6a]){4|C<3>}	129.2952	1.630	10	129.2952	2.657	10	127.8710	4.634	114	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Cu)(CC[5a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|Cu<4>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Cu)(CC[5a]H){4|C<3>}	123.8250	0.874	2	123.8250	0.764	2	127.8710	4.634	114	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CCO)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CCO){1|C<4>,3|C<3>}	125.7350	0.000	1	125.7350	0.000	1	127.8710	4.634	114	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[5a]C[6])	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[5a]C[6]){4|C<3>}	125.4515	0.271	2	125.4515	0.073	2	127.8710	4.634	114	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[6a]C[5])	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[6a]C[5]){1|C<4>,3|C<3>}	129.3735	1.777	2	126.3559	4.323	8	127.8710	4.634	114	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[6a]C[5])	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[6a]C[5]){4|C<3>}	125.3500	0.751	6	126.3559	4.323	8	127.8710	4.634	114	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CNO)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CNO){1|C<4>,3|C<3>}	125.7740	0.000	2	127.1263	2.020	19	127.8710	4.634	114	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CNO)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CNO){4|C<3>}	127.2854	1.420	17	127.1263	2.020	19	127.8710	4.634	114	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(COO){1|C<4>,3|C<3>}	127.3930	2.234	2	128.5403	1.851	7	127.8710	4.634	114	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|Cl<1>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(COO){1|Cl<1>,3|C<3>}	129.1400	0.782	3	128.5403	1.851	7	127.8710	4.634	114	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(COO){4|C<3>}	128.7880	1.028	2	128.5403	1.851	7	127.8710	4.634	114	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Ni)(CC[5a]C[6a])	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|Ni<5>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Ni)(CC[5a]C[6a]){4|C<3>}	129.6220	0.269	2	129.6220	0.072	2	127.8710	4.634	114	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Ni)(CC[5a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|Ni<4>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Ni)(CC[5a]H){4|C<3>}	124.7235	0.958	4	124.7235	0.917	4	127.8710	4.634	114	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Sn)(CC[5a]C[6a])	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|Sn<6>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Sn)(CC[5a]C[6a]){4|C<3>}	129.3572	2.298	4	129.3572	5.280	4	127.8710	4.634	114	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Zn)(CC[5a]C[6a])	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|Zn<5>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Zn)(CC[5a]C[6a]){4|C<3>}	130.8484	1.352	8	130.8484	1.829	8	127.8710	4.634	114	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S)(CCO)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<3>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S)(CCO){2|C<3>,2|H<1>}	126.3520	0.000	1	126.3520	0.000	1	127.8710	4.634	114	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]2)(CC[6a]O)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]2)(CC[6a]O){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	129.1350	0.000	1	129.1350	0.000	1	127.8710	4.634	114	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(CC[6a]C)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(CC[6a]C){1|H<1>,3|C<3>}	127.8160	0.000	1	127.8160	0.000	1	127.8710	4.634	114	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(COO)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(COO){1|H<1>,1|O<2>,2|C<3>}	130.2490	0.000	1	129.9985	0.126	2	127.8710	4.634	114	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(COO)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(COO){1|H<1>,3|C<3>}	129.7480	0.000	1	129.9985	0.126	2	127.8710	4.634	114	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(CC[6a]C)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(CC[6a]C){1|H<1>,5|C<3>}	127.0680	0.000	1	127.0680	0.000	1	127.8710	4.634	114	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(COO)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(COO){1|C<4>,1|H<1>,4|C<3>}	127.2580	0.000	1	128.8485	5.059	2	127.8710	4.634	114	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(COO)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(COO){1|H<1>,5|C<3>}	130.4390	0.000	1	128.8485	5.059	2	127.8710	4.634	114	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[5]H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[5]H){1|C<4>,1|H<1>,2|C<3>}	127.4230	0.000	1	126.8940	0.445	3	127.8710	4.634	114	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[5]H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[5]H){1|H<1>,3|C<3>}	126.6295	0.685	2	126.8940	0.445	3	127.8710	4.634	114	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[6a]O)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[6a]O){1|H<1>,3|C<3>}	130.1630	0.000	1	130.1630	0.000	1	127.8710	4.634	114	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(COO){1|H<1>,3|C<3>}	130.7320	0.000	1	130.2885	0.393	2	127.8710	4.634	114	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(COO){1|H<1>,3|C<3>}	129.8450	0.000	1	130.2885	0.393	2	127.8710	4.634	114	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Ni)(CC[5a]C[6a])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){1|Ni<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Ni)(CC[5a]C[6a]){1|H<1>,3|C<3>}	130.1890	0.000	1	130.1890	0.000	1	127.8710	4.634	114	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]S)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[6a]O)	C[5a](C[5a]C[5a]S)(C[5a]N[5a]C)(C[6a]C[6a]2){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[6a]O){1|S<2>,3|C<3>}	129.2040	1.799	2	129.2040	3.236	2	127.8710	4.634	114	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C[6])(CHO)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C[6])(CHO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	128.4070	0.000	1	128.4070	0.000	1	127.8710	4.634	114	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]P)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H)(CCH)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]P)(C[6a]C[6a]2){2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,1|P<4>,2|C<3>,2|O<2>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H)(CCH){1|P<4>,2|C<3>}	128.5380	0.000	1	128.5380	0.000	1	127.8710	4.634	114	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]N[5a]C)2(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C[6])(COO)	C[5a](C[5a]N[5a]C)2(C[6a]C[6a]2){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C[6])(COO){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	126.6190	0.000	1	126.6190	0.000	1	127.8710	4.634	114	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]N[5a]C)2(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H)(CHN)	C[5a](C[5a]N[5a]C)2(C[6a]C[6a]2){2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H)(CHN){3|C<3>}	124.9570	0.000	1	124.9570	0.000	1	127.8710	4.634	114	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C[6]-3:	C[5a](C[5a]N[5a]C[6])(C[5a]O[5a]O)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]O[5a]C)(C[6]C[6]2)	C[5a](C[5a]N[5a]C[6])(C[5a]O[5a]O)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]O[5a]C)(C[6]C[6]2){1|O<1>,2|H<1>,4|C<3>}	128.4270	0.000	1	128.4270	0.000	1	128.4270	0.000	1	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,1|N<2>,2|H<1>,6|C<3>}	123.6550	0.000	1	125.6305	7.805	2	126.4352	5.814	8	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	127.6060	0.000	1	125.6305	7.805	2	126.4352	5.814	8	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(C[6a]C[6a]2){1|C<2>,2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<2>,2|H<1>,6|C<3>}	129.8270	0.000	1	129.8270	0.000	1	126.4352	5.814	8	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	126.0788	2.206	5	126.0788	4.865	5	126.4352	5.814	8	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:N-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(NCH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(NCH){1|C<4>,3|C<3>}	124.8060	0.000	1	124.8060	0.000	1	126.0480	1.897	11	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:N-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(NCH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(C[6a]C[6a]2){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(NCH){1|H<1>,5|C<3>}	124.9215	0.366	2	124.9215	0.134	2	126.0480	1.897	11	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:N-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(NCS)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(C[6a]C[6a]2){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(NCS){4|C<3>}	128.4540	0.000	1	128.4540	0.000	1	126.0480	1.897	11	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:N-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(NC[6a]S)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(C[6a]C[6a]2){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(NC[6a]S){1|C<4>,3|C<3>}	123.8000	0.000	1	123.8000	0.000	1	126.0480	1.897	11	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:N-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(NHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(C[6a]C[6a]2){1|C<2>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<2>,2|C<3>,2|H<1>,2|N<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(NHH){2|C<2>,2|C<3>}	125.8490	0.000	1	125.8490	0.000	1	126.0480	1.897	11	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:N-3:	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(NHH)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(NHH){5|C<3>}	126.6990	0.662	4	126.6990	0.438	4	126.0480	1.897	11	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:N-3:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)(NHH)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(C[6a]C[6a]2){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|N<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)(NHH){1|C<4>,2|C<3>}	126.9800	0.000	1	126.9800	0.000	1	126.0480	1.897	11	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|H<1>,7|C<3>}	126.9060	0.000	1	126.9060	0.000	1	126.9060	0.000	1	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5,5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5,5a]C[6a])(C[5a]N[5,5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]C[6a])(CHO)	C[5a](C[5a]C[5,5a]C[6a])(C[5a]N[5,5a]C)(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]C[6a])(CHO){2|C<4>,2|H<1>,3|C<3>}	125.4455	0.101	2	125.4455	0.010	2	125.7677	0.316	3	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5,5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5,5a]H)(C[5a]N[5,5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](N[5,5a]C[5,5a]S[5])(C[5a]C[5a]C[6a])(CCH)	C[5a](C[5a]C[5,5a]H)(C[5a]N[5,5a]C)(C[6a]C[6a]2){1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](N[5,5a]C[5,5a]S[5])(C[5a]C[5a]C[6a])(CCH){1|H<1>,2|O<1>,4|C<3>}	126.4120	0.000	1	126.4120	0.000	1	125.7677	0.316	3	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(CC[6a]O)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(CC[6a]O){1|C<4>,2|H<1>,4|C<3>}	127.8610	0.000	1	127.3260	0.572	2	127.8058	1.302	5	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(CC[6a]O)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(CC[6a]O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	126.7910	0.000	1	127.3260	0.572	2	127.8058	1.302	5	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(COO)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(COO){1|C<4>,2|H<1>,4|C<3>}	126.5200	0.000	1	126.5200	0.000	1	127.8058	1.302	5	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(COO)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(COO){1|C<4>,3|C<3>,3|H<1>}	128.9285	0.022	2	128.9285	0.000	2	127.8058	1.302	5	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a]2){1|B<4>,1|N<2>,2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|N<2>,1|N<3>,2|F<1>,2|H<1>,5|C<3>}	125.6200	0.000	1	125.6200	0.000	1	125.6200	0.000	1	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCH)	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCH){1|C<4>,1|H<1>,4|C<3>}	125.8455	2.495	2	125.8455	6.227	2	125.6723	2.098	11	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[5a]H)	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[5a]H){1|C<4>,1|H<1>,4|C<3>}	124.4900	0.103	2	124.4900	0.011	2	125.6723	2.098	11	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]O)	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]O){1|C<2>,1|H<1>,4|C<3>}	128.0870	0.000	1	126.1395	7.586	2	125.6723	2.098	11	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]O)	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]O){1|H<1>,5|C<3>}	124.1920	0.000	1	126.1395	7.586	2	125.6723	2.098	11	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CNO)	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CNO){1|O<1>,5|C<3>}	125.8380	0.000	1	125.8380	0.000	1	125.6723	2.098	11	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCC)	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCC){2|H<1>,4|C<3>}	126.8000	0.253	2	126.8000	0.064	2	125.6723	2.098	11	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCH)	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCH){2|H<1>,4|C<3>}	125.4110	0.000	1	125.4110	0.000	1	125.6723	2.098	11	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CHN)	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CHN){2|H<1>,4|C<3>}	124.5960	0.000	1	124.5960	0.000	1	125.6723	2.098	11	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|N<2>,1|N<3>,2|H<1>,6|C<3>}	126.7840	0.000	1	126.7840	0.000	1	126.7840	0.000	1	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]C[5a])(C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{2|C<3>,2|N<3>,3|H<1>}	C[5a](N[5a]C[5a,6a]C[5a])(C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	127.4690	1.334	2	127.4690	1.778	2	127.4690	1.778	2	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[5a]C[5a]2)(C[6a]C[6a]H){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCO){1|H<1>,3|C<3>}	128.7860	0.215	2	128.7860	0.046	2	127.6090	4.179	3	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(CC[6a]O)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|Br<1>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]Br)(C[5a]C[5a]2)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(CC[6a]O){5|C<3>}	125.2550	0.000	1	125.2550	0.000	1	127.6090	4.179	3	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]H)	C[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2){1|N<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|N<3>,2|N<2>,5|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]H){2|H<1>,5|C<3>}	125.2720	0.000	1	125.2720	0.000	1	125.2720	0.000	1	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[6a]O)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[6a]O){1|C<2>,3|C<3>}	128.4910	0.000	1	128.4910	0.000	1	126.2138	15.277	4	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]O)(C[5a]C[5a]2)(C[6a]O[6a]H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[6a]O)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]O)(C[5a]C[5a]2)(C[6a]O[6a]H){1|C<2>,1|N<3>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[6a]O){1|C<2>,3|C<3>}	130.5480	0.000	1	130.5480	0.000	1	126.2138	15.277	4	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[6]O)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[5a]C[5a]2)(C[6a]C[6a]H){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[6]O){1|C<4>,3|C<3>}	122.9080	0.066	2	122.9080	0.004	2	126.2138	15.277	4	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:N-3:	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(NHH)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[5,6a]H)(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,2|H<1>,2|N<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(NHH){1|H<1>,4|C<3>}	129.7390	0.215	3	129.7390	0.046	3	129.7390	0.046	3	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(C[5a]C[5a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(COO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){2|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)2(C[5a]C[5a]2){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(COO){1|C<4>,1|H<1>,2|C<3>}	127.4963	0.884	3	127.4963	0.781	3	127.6317	0.594	4	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(COO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2){1|Cl<1>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(C[5a]C[5a]2){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(COO){1|H<1>,3|C<3>}	128.0380	0.000	1	128.0380	0.000	1	127.6317	0.594	4	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]C)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]C){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]C){1|C<4>,1|H<1>,4|C<3>}	129.9830	0.000	1	129.9830	0.000	1	131.4311	3.282	37	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(COO)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(COO){2|C<4>,4|C<3>}	129.8260	0.000	1	129.8260	0.000	1	131.4311	3.282	37	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]C){2|C<3>,4|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(COO){1|H<1>,3|C<3>}	128.4420	0.000	1	130.3085	6.968	2	131.4311	3.282	37	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]C){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(COO){4|C<3>}	132.1750	0.000	1	130.3085	6.968	2	131.4311	3.282	37	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]O)(COO)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]O)(COO){2|C<3>,2|C<4>}	131.2810	0.768	2	131.2810	0.590	2	131.4311	3.282	37	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]O)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]O){1|H<1>,5|C<3>}	130.3580	0.000	1	130.3580	0.000	1	131.4311	3.282	37	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CNO)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CNO){1|H<1>,1|N<3>,4|C<3>}	130.4890	0.000	1	130.4890	0.000	1	131.4311	3.282	37	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(COO)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(COO){1|H<1>,1|N<2>,4|C<3>}	132.3360	0.000	1	132.3465	0.000	2	131.4311	3.282	37	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(COO)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(COO){1|H<1>,5|C<3>}	132.3570	0.000	1	132.3465	0.000	2	131.4311	3.282	37	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCH)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCH){1|H<1>,3|C<3>}	129.3855	0.129	2	129.3855	0.017	2	131.4311	3.282	37	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCO)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCO){1|H<1>,3|C<3>}	133.2000	0.000	1	133.2000	0.000	1	131.4311	3.282	37	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CC[6a]O)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CC[6a]O){1|C<4>,1|H<1>,2|C<3>}	131.0270	0.000	1	130.5163	1.468	3	131.4311	3.282	37	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CC[6a]O)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CC[6a]O){1|H<1>,3|C<3>}	131.3890	0.000	1	130.5163	1.468	3	131.4311	3.282	37	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CC[6a]O)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CC[6a]O){1|H<1>,3|C<3>}	129.1330	0.000	1	130.5163	1.468	3	131.4311	3.282	37	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CHO)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CHO){1|H<1>,3|C<3>}	130.3840	0.803	2	130.3840	0.645	2	131.4311	3.282	37	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(COO)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(COO){1|H<1>,3|C<3>}	131.3417	0.765	4	131.9602	2.351	5	131.4311	3.282	37	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(COO)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(COO){2|C<3>,2|H<1>}	134.4340	0.000	1	131.9602	2.351	5	131.4311	3.282	37	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC[6a]O)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC[6a]O){1|H<1>,3|C<3>}	132.8130	1.383	2	132.8130	1.913	2	131.4311	3.282	37	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){2|C<3>,4|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(COO){2|C<3>,2|H<1>}	133.5393	0.514	3	133.6638	1.006	5	131.4311	3.282	37	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(COO){1|H<1>,3|C<3>}	133.8505	1.838	2	133.6638	1.006	5	131.4311	3.282	37	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(COS)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(COS){1|H<1>,3|C<3>}	133.7270	0.000	1	133.7270	0.000	1	131.4311	3.282	37	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]O)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]O){2|C<3>,4|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(COO){1|H<1>,1|O<2>,2|C<3>}	133.5550	0.000	1	133.5550	0.000	1	131.4311	3.282	37	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(COO)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C){2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(COO){1|C<4>,2|C<3>}	128.2140	0.000	1	128.2140	0.000	1	131.4311	3.282	37	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CC[6a]C)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CC[6a]C){4|C<3>}	128.8610	0.342	2	128.8610	0.117	2	131.4311	3.282	37	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CC[6a]N)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CC[6a]N){1|H<1>,3|C<3>}	131.5855	0.928	2	131.5855	0.862	2	131.4311	3.282	37	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]C[5a]H){1|S<2>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[6a]N[5a])(C[5a]C[5a]H){2|H<1>,5|C<3>}	131.3030	0.000	1	131.3030	0.000	1	131.3030	0.000	1	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6]-3:	C[5a](C[5a]C[5a]C[6])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6]C[6]N[6])	C[5a](C[5a]C[5a]C[6])(C[6a]C[6a]2)(N[5a]C[5a]H){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6]C[6]N[6]){1|Co<4>,1|N<3>,2|H<1>,6|C<3>}	132.9435	0.127	2	132.9435	0.016	2	132.9435	0.016	2	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	129.3950	0.013	2	128.9927	0.486	3	131.0669	3.477	16	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]C){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	128.1880	0.000	1	128.9927	0.486	3	131.0669	3.477	16	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	132.5050	0.000	1	132.5050	0.000	1	131.0669	3.477	16	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	130.4073	0.860	3	130.4073	0.740	3	131.0669	3.477	16	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	132.9730	0.000	1	132.9730	0.000	1	131.0669	3.477	16	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	132.0960	0.000	1	132.3685	0.149	2	131.0669	3.477	16	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H){4|C<3>,4|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){4|C<3>,4|H<1>}	132.6410	0.000	1	132.3685	0.149	2	131.0669	3.477	16	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]2){4|C<3>,4|H<1>}	131.5160	1.655	2	131.5160	2.738	2	131.0669	3.477	16	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]S)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]S){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|S<4>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|S<4>,3|H<1>,6|C<3>}	127.4600	0.000	1	127.4600	0.000	1	131.0669	3.477	16	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]N[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]C){1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]N[6a]2){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	131.6010	0.000	1	131.6010	0.000	1	131.0669	3.477	16	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]H){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){3|H<1>,4|C<3>}	133.3380	0.000	1	133.3380	0.000	1	131.0669	3.477	16	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]H){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2){1|N<2>,2|H<1>,6|C<3>}	133.2240	0.000	1	133.2240	0.000	1	131.0669	3.477	16	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(NCH)	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]C){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(NCH){1|C<4>,1|H<1>,4|C<3>}	125.7320	0.000	1	125.7320	0.000	1	131.8632	9.446	6	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(NOO)	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]C){1|C<3>,1|N<2>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(NOO){1|C<4>,2|C<3>}	133.0070	0.000	1	133.0070	0.000	1	131.8632	9.446	6	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(NOO)	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]C){2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(NOO){1|C<4>,2|C<3>}	133.5690	0.000	1	133.5690	0.000	1	131.8632	9.446	6	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])2(NOO)	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]C){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|N<3>}	C[5a](C[5a]C[6a]N[5a])2(NOO){1|C<4>,4|C<3>}	133.6370	0.000	1	133.6370	0.000	1	131.8632	9.446	6	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](C[5a]C[6a]N[5a])2(NOO)	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])2(NOO){1|H<1>,4|C<3>}	133.3720	0.000	1	133.3720	0.000	1	131.8632	9.446	6	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(NHS)	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(NHS){1|H<1>,2|C<3>}	131.8620	0.000	1	131.8620	0.000	1	131.8632	9.446	6	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N[5]-3:	C[5a](C[5a]C[5a]N[5])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(N[5]C[5]2)	C[5a](C[5a]C[5a]N[5])(C[6a]C[6a]2)(N[5a]C[5a]H){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(N[5]C[5]2){1|N<2>,1|N<3>,4|C<3>,4|H<1>}	132.5990	0.000	1	132.6090	0.000	2	132.4070	0.123	3	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N[5]-3:	C[5a](C[5a]C[5a]N[5])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(N[5]C[5]2)	C[5a](C[5a]C[5a]N[5])(C[6a]C[6a]2)(N[5a]C[5a]H){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(N[5]C[5]2){1|N<3>,4|H<1>,5|C<3>}	132.6190	0.000	1	132.6090	0.000	2	132.4070	0.123	3	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N[5]-3:	C[5a](C[5a]C[5a]N[5])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(N[5]C[5]N[5])	C[5a](C[5a]C[5a]N[5])(C[6a]C[6a]2)(N[5a]C[5a]H){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(N[5]C[5]N[5]){1|Se<1>,1|N<3>,2|H<1>,5|C<3>}	132.0030	0.000	1	132.0030	0.000	1	132.4070	0.123	3	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N[6]-3:	C[5a](C[5a]C[5a]N[6])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(N[6]C[6]2)	C[5a](C[5a]C[5a]N[6])(C[6a]C[6a]2)(N[5a]C[5a]H){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(N[6]C[6]2){4|H<1>,6|C<3>}	132.7360	0.000	1	132.7360	0.000	1	132.7360	0.000	1	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]N){1|O<2>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]O){1|N<3>,2|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|Br<1>,1|H<1>,1|N<3>,7|C<3>}	131.8270	0.000	1	131.0120	1.328	2	131.0120	1.328	2	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]N){1|O<2>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]O){1|N<3>,2|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<3>,2|H<1>,7|C<3>}	130.1970	0.000	1	131.0120	1.328	2	131.0120	1.328	2	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5,5a]C[6a])(N[5a]C[5,5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[5,5a]C[6a])(N[5a]C[5,5a]N)(C[6a]C[6a]2){1|Cl<1>,1|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	130.5260	0.000	1	130.5260	0.000	1	130.8757	1.370	3	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5,5a]C[6a])(N[5a]C[5,5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[5,5a]C[6a])(N[5a]C[5,5a]N)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	131.0505	1.599	2	131.0505	2.556	2	130.8757	1.370	3	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a,5a]C[5a])(N[5a]C[5a,5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]N[5a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a,5a]C[5a])(N[5a]C[5a,5a]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]N[5a])(C[5a]C[5a]2){1|H<1>,2|C<3>,2|C<4>,2|N<2>,3|N<3>}	131.2210	0.000	1	131.2210	0.000	1	131.2210	0.000	1	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6]C[5a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])	C[5a](C[5a]C[5a,6]C[5a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]2){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a]){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	130.8910	0.000	1	130.8910	0.000	1	130.8910	0.000	1	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	128.8910	0.000	1	128.8910	0.000	1	128.8910	0.000	1	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5])(C[5a]C[6a]N[5a])	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5])(C[5a]C[6a]N[5a]){1|H<1>,1|O<2>,2|C<4>,6|C<3>}	127.8790	0.000	1	127.8790	0.000	1	127.8790	0.000	1	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]F)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CHO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){1|C<4>,1|F<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]F){1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CHO){1|C<4>,1|H<1>,4|C<3>}	130.8830	0.000	1	130.8830	0.000	1	130.3229	5.539	40	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CHO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CHO){1|C<4>,1|H<1>,4|C<3>}	131.3610	0.000	1	131.3610	0.000	1	130.3229	5.539	40	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCC)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCC){1|H<1>,5|C<3>}	125.5655	0.409	2	125.5655	0.168	2	130.3229	5.539	40	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCC)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCC){1|C<4>,1|H<1>,4|C<3>}	129.2280	0.000	1	129.2280	0.000	1	130.3229	5.539	40	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCH){1|H<1>,5|C<3>}	124.5990	0.000	1	124.5990	0.000	1	130.3229	5.539	40	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[5]C)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[5]C){1|C<4>,1|H<1>,4|C<3>}	128.5630	0.293	2	128.5630	0.086	2	130.3229	5.539	40	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]C)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]C){1|C<4>,1|H<1>,4|C<3>}	129.4027	0.655	3	129.4027	0.429	3	130.3229	5.539	40	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(COO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(COO){1|C<4>,1|H<1>,4|C<3>}	131.2240	0.000	1	131.9600	0.454	3	130.3229	5.539	40	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(COO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(COO){1|H<1>,5|C<3>}	132.3280	0.310	2	131.9600	0.454	3	130.3229	5.539	40	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCO){2|H<1>,4|C<3>}	132.7950	0.000	1	132.7950	0.000	1	130.3229	5.539	40	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(CC[6a]O)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(CC[6a]O){1|H<1>,1|N<3>,4|C<3>}	131.9070	1.192	2	131.9070	1.421	2	130.3229	5.539	40	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(COO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(COO){1|H<1>,1|N<2>,4|C<3>}	132.8810	0.000	1	132.8810	0.000	1	130.3229	5.539	40	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCH){2|H<1>,4|C<3>}	130.0370	0.403	2	130.0370	0.162	2	130.3229	5.539	40	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCO){2|H<1>,4|C<3>}	131.7335	1.473	4	131.7335	2.170	4	130.3229	5.539	40	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]O)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]O){2|H<1>,4|C<3>}	132.7800	0.000	1	131.5224	0.644	5	130.3229	5.539	40	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]O)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]O){2|H<1>,4|C<3>}	131.2080	0.447	4	131.5224	0.644	5	130.3229	5.539	40	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CHO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CHO){2|H<1>,4|C<3>}	129.8630	0.000	1	129.8630	0.000	1	130.3229	5.539	40	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(COO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(COO){2|H<1>,4|C<3>}	134.2210	0.000	1	132.8623	1.836	3	130.3229	5.539	40	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(COO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(COO){1|C<4>,1|H<1>,4|C<3>}	132.8550	0.000	1	132.8623	1.836	3	130.3229	5.539	40	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(COO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(COO){2|H<1>,4|C<3>}	131.5110	0.000	1	132.8623	1.836	3	130.3229	5.539	40	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]O)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(COO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(COO){1|H<1>,1|O<2>,4|C<3>}	130.8360	0.000	1	130.8360	0.000	1	130.3229	5.539	40	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|S<4>,2|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCH){1|H<1>,1|S<4>,4|C<3>}	126.2450	0.000	1	126.2450	0.000	1	130.3229	5.539	40	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|S<4>,2|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCO){1|H<1>,1|S<4>,4|C<3>}	131.6225	0.179	2	131.6225	0.032	2	130.3229	5.539	40	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCC)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|S<4>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCC){1|S<4>,5|C<3>}	127.1660	0.000	1	127.1660	0.000	1	130.3229	5.539	40	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|S<4>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCH){1|H<1>,1|S<4>,4|C<3>}	127.2240	0.508	2	127.2240	0.258	2	130.3229	5.539	40	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]C[6a]N[5a])	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,1|N<3>,7|C<3>}	128.5110	0.566	2	128.5110	0.320	2	130.6566	1.984	11	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]C[6a]N[5a])	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]C[6a]N[5a]){1|S<2>,2|H<1>,7|C<3>}	131.4530	0.000	1	131.4530	0.000	1	130.6566	1.984	11	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[5a]C[5a]2){1|O<2>,2|H<1>,7|C<3>}	131.4374	0.505	7	131.4374	0.255	7	130.6566	1.984	11	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]S)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]S)(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|S<4>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,1|S<4>,7|C<3>}	128.6860	0.000	1	128.6860	0.000	1	130.6566	1.984	11	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6]-3:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6]C[6]2)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6]C[6]2){1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|O<1>}	131.6890	0.000	1	131.6890	0.000	1	131.6890	0.000	1	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,2|H<1>,7|C<3>}	128.5985	0.507	2	128.1510	0.729	3	129.7458	1.656	32	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	127.2560	0.000	1	128.1510	0.729	3	129.7458	1.656	32	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|N<2>,3|H<1>,5|C<3>}	128.8515	1.063	2	129.2511	0.871	10	129.7458	1.656	32	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|F<1>,2|H<1>,6|C<3>}	127.6560	0.000	1	129.2511	0.871	10	129.7458	1.656	32	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,3|H<1>,6|C<3>}	129.3992	0.167	4	129.2511	0.871	10	129.7458	1.656	32	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	129.8517	1.138	3	129.2511	0.871	10	129.7458	1.656	32	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	129.4380	0.000	1	129.4380	0.000	1	129.7458	1.656	32	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,7|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	129.7730	0.943	5	129.6815	0.761	6	129.7458	1.656	32	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Cl<1>,1|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	129.2240	0.000	1	129.6815	0.761	6	129.7458	1.656	32	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a])	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|H<1>,1|N<2>,1|O<2>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a]){1|N<2>,1|O<2>,2|H<1>,5|C<3>}	129.8100	0.000	1	129.8100	0.000	1	129.7458	1.656	32	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<2>,3|H<1>,6|C<3>}	131.3170	0.317	2	131.0659	0.742	9	129.7458	1.656	32	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|O<1>,1|O<2>,3|H<1>,5|C<3>}	131.4830	0.430	2	131.0659	0.742	9	129.7458	1.656	32	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){4|H<1>,6|C<3>}	130.7986	1.098	5	131.0659	0.742	9	129.7458	1.656	32	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	130.6070	0.000	1	130.6070	0.000	1	129.7458	1.656	32	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|S<4>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|S<4>,3|H<1>,6|C<3>}	127.3650	0.000	1	127.3650	0.000	1	129.7458	1.656	32	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NCC)	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NCC){2|H<1>,4|C<3>}	132.3640	0.000	1	132.3640	0.000	1	127.8177	16.149	3	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]S)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NCH)	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]S)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|S<4>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NCH){1|H<1>,1|S<4>,4|C<3>}	125.5445	1.138	2	125.5445	1.294	2	127.8177	16.149	3	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N[5]-3:	C[5a](C[5a]C[5a,6a]N[5])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(N[5]C[5]2)	C[5a](C[5a]C[5a,6a]N[5])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	129.2060	0.000	1	130.4840	3.267	2	130.4840	3.267	2	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N[5]-3:	C[5a](C[5a]C[5a,6a]N[5])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(N[5]C[5]2)	C[5a](C[5a]C[5a,6a]N[5])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	131.7620	0.000	1	130.4840	3.267	2	130.4840	3.267	2	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,1|N<2>,2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	126.9110	0.000	1	128.2090	3.370	2	129.2983	2.274	9	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	129.5070	0.000	1	128.2090	3.370	2	129.2983	2.274	9	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]N[6a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<2>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]N[6a]2){1|H<1>,1|N<3>,4|C<3>}	132.4940	0.000	1	132.4940	0.000	1	129.2983	2.274	9	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<2>,2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(C[6a]C[6a]2){1|C<2>,2|H<1>,6|C<3>}	129.5560	0.000	1	129.5560	0.000	1	129.2983	2.274	9	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2){2|H<1>,7|C<3>}	129.0434	0.679	5	129.0434	0.461	5	129.2983	2.274	9	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|B<3>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	127.1060	0.448	2	127.1060	0.201	2	127.1060	0.201	2	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){2|B<3>,2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|B<3>,2|H<1>,7|C<3>}	129.4785	0.077	2	129.0624	0.559	5	129.0624	0.559	5	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){2|B<4>,2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|B<4>,1|F<1>,1|N<3>,2|H<1>,6|C<3>}	128.2650	0.177	2	129.0624	0.559	5	129.0624	0.559	5	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){2|B<4>,2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|Cl<1>,1|B<4>,2|H<1>,7|C<3>}	129.8250	0.000	1	129.0624	0.559	5	129.0624	0.559	5	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)(C[5a]N[5a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(COO)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)(C[5a]N[5a]C){3|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,6|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(COO){1|H<1>,3|C<3>}	130.0840	0.000	1	130.0840	0.000	1	130.0840	0.000	1	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)(C[5a]N[5a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[5]H)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)(C[5a]N[5a]C){3|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,6|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[5]H){1|H<1>,3|C<3>}	123.1150	0.000	1	123.1150	0.000	1	126.0163	7.504	3	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)(C[5a]N[5a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]O)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(COO)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)(C[5a]N[5a]C){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]O){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(COO){1|C<4>,1|H<1>,2|C<3>}	127.4670	1.543	2	127.4670	2.381	2	126.0163	7.504	3	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C[6a])(C[5a]S[5a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C[6a])(C[5a]S[5a]H)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C[6a])(C[5a]S[5a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|H<1>,1|O<2>,1|S<2>,5|C<3>}	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C[6a])(C[5a]S[5a]H){1|N<2>,2|H<1>,4|C<3>}	126.5955	1.207	2	126.4965	1.577	6	126.4965	1.577	6	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C[6a])(C[5a]S[5a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C[6a])(C[5a]S[5a]H)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C[6a])(C[5a]S[5a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|S<2>,2|H<1>,5|C<3>}	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C[6a])(C[5a]S[5a]H){1|N<2>,2|H<1>,4|C<3>}	126.4470	1.460	4	126.4965	1.577	6	126.4965	1.577	6	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5a]-3:N[5a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|H<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	132.1350	0.000	1	132.1350	0.000	1	132.1350	0.000	1	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5a]-3:N[5a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a])(N[5a]B[5a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a])(N[5a]B[5a]C[6a])	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a])(N[5a]B[5a]C[6a]){1|H<1>,9|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|B<3>,1|N<3>,2|H<1>,5|C<3>}	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a])(N[5a]B[5a]C[6a]){1|H<1>,9|C<3>}	127.2565	0.625	4	127.2565	0.391	4	127.2565	0.391	4	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,5a]N[5a,5a]B[5a])(C[5a]B[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a,5a]C[5a])(C[6a]C[6a]H)2	C[5a](B[5a]N[5a,5a]C[6a])(C[5a]N[5a,5a]C[6a])(C[6a]C[6a]2)	C[5a](N[5a,5a]N[5a,5a]B[5a])(C[5a]B[5a]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[5a]N[5a,5a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|B<3>,2|C<3>,2|H<1>}	C[5a](B[5a]N[5a,5a]C[6a])(C[5a]N[5a,5a]C[6a])(C[6a]C[6a]2){1|B<3>,2|H<1>,7|C<3>}	129.4280	0.000	1	129.4280	0.000	1	129.4280	0.000	1	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](N[5a,6]C[5a,6,6a]B[6])(C[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6,6a]C[6a,6a])(C[5a]N[5a,6]C[6a])(CC[6a]O)	C[5a](N[5a,6]C[5a,6,6a]B[6])(C[5a]C[5a,6a]C)(C[6a]C[6a]2){1|N<3>,2|F<1>,2|H<1>,4|C<3>}	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2{1|B<4>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6,6a]C[6a,6a])(C[5a]N[5a,6]C[6a])(CC[6a]O){1|B<4>,5|C<3>}	127.4430	0.000	1	127.4430	0.000	1	127.4430	0.000	1	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(CCH)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(C[6a]C[6a]2){1|N<2>,1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2{1|B<4>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(CCH){1|B<4>,1|N<2>,4|C<3>}	127.4430	0.000	1	127.4430	0.000	1	127.9283	3.727	4	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(CC[6]C)	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a](C[5a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(CC[6]C){1|C<4>,3|C<3>}	126.1580	0.000	1	126.1580	0.000	1	127.9283	3.727	4	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(CHO)	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a](C[5a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(CHO){1|C<4>,3|C<3>}	127.4330	0.000	1	127.4330	0.000	1	127.9283	3.727	4	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(COO)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2{1|C<4>,2|O<2>,4|C<3>}	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(COO){1|C<4>,5|C<3>}	130.6790	0.000	1	130.6790	0.000	1	127.9283	3.727	4	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6])(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6]C[5a,6]2)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6])(C[6a]C[6a]2){1|N<2>,1|N<3>,2|F<1>,2|H<1>,5|C<3>}	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2{1|B<4>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6]C[5a,6]2){1|B<4>,1|N<2>,2|N<3>,6|C<3>}	125.7000	0.000	1	125.7000	0.000	1	125.7000	0.000	1	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a]2)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|N<2>,1|N<3>,2|F<1>,2|H<1>,5|C<3>}	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2{1|B<4>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a]2){1|B<4>,1|N<2>,2|H<1>,6|C<3>}	127.8000	0.000	1	127.8000	0.000	1	127.8000	0.000	1	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(NOO)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]N)(C[6a]C[6a]2){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(NOO){1|C<4>,5|C<3>}	132.6780	0.000	1	132.8508	0.111	4	132.8508	0.111	4	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(NOO)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]N)(C[6a]C[6a]2){1|N<3>,4|C<3>,4|H<1>}	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(NOO){1|C<4>,1|N<3>,4|C<3>}	132.9083	0.382	3	132.8508	0.111	4	132.8508	0.111	4	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](N[5a,6a]C[5a,6a,6a]C[6a,6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]N[5a,6a]C[6a])(COO)	C[5a](N[5a,6a]C[5a,6a,6a]C[6a,6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]N[5a,6a]C[6a])(COO){1|H<1>,5|C<3>}	128.1940	0.000	1	128.1940	0.000	1	128.1940	0.000	1	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CC[6a]O)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<2>,2|H<1>,5|C<3>}	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CC[6a]O){4|C<3>}	128.1560	0.000	1	128.1560	0.000	1	128.9978	4.150	6	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CHO)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CHO){4|C<3>}	126.8025	0.073	2	126.8025	0.005	2	128.9978	4.150	6	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CC[6a]O)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|Cl<1>,1|C<2>,2|H<1>,4|C<3>}	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CC[6a]O){4|C<3>}	131.3800	0.000	1	131.3800	0.000	1	128.9978	4.150	6	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C[6a])(CC[6a]C)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C[6a])(CC[6a]C){6|C<3>}	130.9980	0.000	1	130.9980	0.000	1	128.9978	4.150	6	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CC[6a]O)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<2>,3|H<1>,4|C<3>}	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CC[6a]O){4|C<3>}	129.8480	0.000	1	129.8480	0.000	1	128.9978	4.150	6	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|B<3>,2|H<1>,7|C<3>}	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2{1|B<3>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){2|B<3>,2|H<1>,6|C<3>}	125.9720	0.692	2	126.7180	1.589	5	126.7180	1.589	5	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|B<4>,1|F<1>,1|N<3>,2|H<1>,6|C<3>}	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){2|B<4>,2|H<1>,6|C<3>}	127.9575	0.848	2	126.7180	1.589	5	126.7180	1.589	5	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|Cl<1>,1|B<4>,2|H<1>,7|C<3>}	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){2|B<4>,2|H<1>,6|C<3>}	125.7310	0.000	1	126.7180	1.589	5	126.7180	1.589	5	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]N)	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|N<2>,1|N<3>,2|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]N){1|H<1>,1|N<2>,1|O<2>,5|C<3>}	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	129.2430	0.000	1	129.2430	0.000	1	129.2430	0.000	1	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C-3:	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(CC[6a]O)	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(CC[6a]O){1|O<1>,5|C<3>}	128.7750	0.031	2	128.7750	0.001	2	129.8183	3.266	3	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C-3:	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(COO)	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(COO){1|C<4>,2|H<1>,4|C<3>}	131.9050	0.000	1	131.9050	0.000	1	129.8183	3.266	3	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[5]-3:	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C[5])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(C[5]C[5]2)	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C[5])(C[6a]C[6a]2){1|C<4>,2|H<1>,7|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(C[5]C[5]2){1|H<1>,1|O<1>,2|C<4>,6|C<3>}	130.6890	0.000	1	130.6890	0.000	1	130.6890	0.000	1	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(COO)	C[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(COO){4|C<3>}	129.9010	0.000	1	129.9010	0.000	1	130.7540	3.302	30	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CHO)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CHO){4|C<3>}	127.7070	0.000	1	127.7070	0.000	1	130.7540	3.302	30	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CHO)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|I<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CHO){1|I<1>,3|C<3>}	130.3750	0.000	1	130.8435	0.439	2	130.7540	3.302	30	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CHO)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|F<1>,1|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CHO){1|H<1>,3|C<3>}	131.3120	0.000	1	130.8435	0.439	2	130.7540	3.302	30	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCO)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|S<2>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCO){1|S<2>,3|C<3>}	130.9210	0.000	1	130.9210	0.000	1	130.7540	3.302	30	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CC[6a]C)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CC[6a]C){1|H<1>,3|C<3>}	129.5330	0.000	1	129.5330	0.000	1	130.7540	3.302	30	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CC[6a]O)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CC[6a]O){1|H<1>,3|C<3>}	130.1445	0.088	2	130.1445	0.008	2	130.7540	3.302	30	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CHO)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|I<1>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CHO){1|I<1>,3|C<3>}	131.4510	0.000	1	130.2460	1.703	4	130.7540	3.302	30	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CHO)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<3>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CHO){4|C<3>}	130.5570	0.355	2	130.2460	1.703	4	130.7540	3.302	30	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CHO)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){4|C<3>,4|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CHO){1|H<1>,3|C<3>}	128.4190	0.000	1	130.2460	1.703	4	130.7540	3.302	30	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]I)(CHO)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|I<1>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]I)(CHO){1|H<1>,3|C<3>}	128.3635	0.071	2	128.3635	0.005	2	130.7540	3.302	30	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(COO)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(COO){3|C<3>}	134.0650	1.547	2	134.0650	2.394	2	130.7540	3.302	30	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CCH)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CCH){3|C<3>}	127.8450	0.000	1	127.8450	0.000	1	130.7540	3.302	30	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CC[6a]O)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CC[6a]O){3|C<3>}	130.9985	0.308	2	130.9985	0.095	2	130.7540	3.302	30	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CHN)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CHN){3|C<3>}	128.4170	0.000	1	128.4170	0.000	1	130.7540	3.302	30	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CHO)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CHO){3|C<3>}	132.6430	0.000	1	132.6430	0.000	1	130.7540	3.302	30	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(COO)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(COO){3|C<3>}	133.5950	0.000	1	131.0827	5.154	3	130.7540	3.302	30	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(COO)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(COO){3|C<3>}	129.8265	0.917	2	131.0827	5.154	3	130.7540	3.302	30	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CNO)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CNO){3|C<3>}	132.4915	0.698	2	132.4915	0.487	2	130.7540	3.302	30	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(COO)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(COO){3|C<3>}	132.3950	0.052	2	132.3950	0.003	2	130.7540	3.302	30	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])2(COO)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])2(COO){5|C<3>}	131.3130	0.000	1	131.3130	0.000	1	130.7540	3.302	30	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(COO)	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(COO){1|C<4>,2|C<3>}	131.5060	0.000	1	131.5060	0.000	1	130.7540	3.302	30	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]2){1|C<4>,2|H<1>,7|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	129.5200	0.000	1	129.5200	0.000	1	129.5200	0.000	1	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(NCH)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(NCH){1|C<4>,3|C<3>}	132.2870	0.000	1	132.2870	0.000	1	131.5090	3.463	6	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(NHS)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]2){1|C<2>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(NHS){1|C<2>,3|C<3>}	129.1980	0.000	1	129.1980	0.000	1	131.5090	3.463	6	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(NOO)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(NOO){4|C<3>}	131.4640	0.000	1	131.4640	0.000	1	131.5090	3.463	6	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(NOO)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(NOO){4|C<3>}	133.1070	0.000	1	133.1070	0.000	1	131.5090	3.463	6	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]I)(NOO)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]2){1|I<1>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]I)(NOO){4|C<3>}	133.5980	0.000	1	133.5980	0.000	1	131.5090	3.463	6	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]Si)(NHH)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]2){1|Si<4>,1|C<2>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]Si)(NHH){1|C<2>,3|C<3>}	129.4000	0.000	1	129.4000	0.000	1	131.5090	3.463	6	127.8260	7.552	1003	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]S)(C[6a]C[6a]2)	C[6a](C[5a]C[5,5a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5,5a]C[6a])(C[5a]N[5,5a]H)(SC[6a]OO)	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]S)(C[6a]C[6a]2){4|C<3>,5|H<1>}	C[6a](C[5a]C[5,5a]C[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5,5a]C[6a])(C[5a]N[5,5a]H)(SC[6a]OO){1|C<4>,3|C<3>}	131.3350	0.000	1	131.3350	0.000	1	131.3350	0.000	1	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(CCCH)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(CCCH){4|C<3>}	125.7990	0.000	1	125.7990	0.000	1	125.7990	0.000	1	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CCHH){4|C<3>}	122.4560	0.000	1	122.4560	0.000	1	122.4560	0.000	1	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(CCHH){4|C<3>}	123.3200	0.000	1	123.3200	0.000	1	127.0312	7.243	13	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(CHHO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(CHHO){4|C<3>}	125.1910	3.082	2	125.1910	9.496	2	127.0312	7.243	13	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|O<2>,1|S<4>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(CCHH){4|C<3>}	129.7510	0.000	1	129.7510	0.000	1	127.0312	7.243	13	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(CCCO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){4|C<3>,4|H<1>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(CCCO){4|C<3>}	131.4030	0.240	2	131.4030	0.058	2	127.0312	7.243	13	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(CC[6a]2H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){4|C<3>,4|H<1>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(CC[6a]2H){4|C<3>}	128.0710	0.000	1	128.0710	0.000	1	127.0312	7.243	13	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(CH3){4|C<3>}	125.2090	0.593	2	126.1808	1.382	4	127.0312	7.243	13	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){4|C<3>,4|H<1>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(CH3){4|C<3>}	127.0610	0.000	1	126.1808	1.382	4	127.0312	7.243	13	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){4|C<3>,4|H<1>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(CH3){4|C<3>}	127.2440	0.000	1	126.1808	1.382	4	127.0312	7.243	13	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(CC[6a]HO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|S<4>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(CC[6a]HO){4|C<3>}	127.0740	0.000	1	127.0740	0.000	1	127.0312	7.243	13	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(CFHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|S<4>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(CFHH){4|C<3>}	125.2790	0.000	1	125.2790	0.000	1	127.0312	7.243	13	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:P-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(PC[6]2O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,1|P<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(PC[6]2O){4|C<3>}	129.7110	0.000	1	129.7110	0.000	1	129.4415	0.145	2	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:P-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(PC[6a]2O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,1|P<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(PC[6a]2O){4|C<3>}	129.1720	0.000	1	129.1720	0.000	1	129.4415	0.145	2	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]N[5a,6]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](N[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]C[6a])(CH3)	C[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]N[5a,6]C)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]C[6a])(CH3){1|C<4>,2|H<1>,4|C<3>}	127.1765	0.213	2	127.1765	0.045	2	127.1765	0.045	2	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]N)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|N<3>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]N){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(CH3){4|C<3>}	125.6270	0.000	1	125.6270	0.000	1	125.6270	0.000	1	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6a]O[6a]O)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(CC[6a]2H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5a]N[5a]C){2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6a]O[6a]O){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(CC[6a]2H){4|C<3>}	128.3640	0.000	1	128.3640	0.000	1	128.3640	0.000	1	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(C[6a]C[6a]2){1|B<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3){1|B<4>,1|C<4>,4|C<3>}	127.1527	1.031	3	126.9338	0.771	9	126.8937	0.711	11	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(C[6a]C[6a]2){1|B<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3){1|B<4>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	127.4785	0.190	2	126.9338	0.771	9	126.8937	0.711	11	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(C[6a]C[6a]2){1|B<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3){1|B<4>,1|C<4>,1|H<1>,3|C<3>}	127.2720	0.000	1	126.9338	0.771	9	126.8937	0.711	11	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(C[6a]C[6a]2){1|B<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3){1|B<4>,1|C<4>,4|C<3>}	126.2390	0.924	3	126.9338	0.771	9	126.8937	0.711	11	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]N[6a]H)2	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(C[6a]C[6a]2){1|B<4>,1|C<3>,2|H<1>,2|N<2>}	C[6a](C[5a]C[5a]2)(C[6a]N[6a]H)2{1|N<3>,2|C<3>,2|C<4>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3){1|B<4>,1|C<4>,4|C<3>}	126.7135	0.928	2	126.7135	0.862	2	126.8937	0.711	11	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){1|H<1>,5|C<3>}	125.6088	1.641	4	125.6088	2.694	4	125.6088	2.694	4	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|H<1>,5|C<3>}	127.6970	0.000	1	127.6970	0.000	1	126.4327	2.415	38	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,3|C<3>}	123.9528	1.129	4	123.9528	1.274	4	126.4327	2.415	38	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	126.6230	0.000	1	126.6230	0.000	1	126.4327	2.415	38	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])(CH3){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	126.8580	0.454	2	126.8580	0.206	2	126.4327	2.415	38	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CCHH){1|C<4>,3|C<3>}	124.7950	0.000	1	124.7950	0.000	1	126.4327	2.415	38	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|C<4>,1|H<1>,4|C<3>}	127.4060	1.387	2	127.4060	1.925	2	126.4327	2.415	38	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]P)(CF3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]P)(CF3){1|C<4>,1|H<1>,2|C<3>}	131.4460	0.000	1	131.4460	0.000	1	126.4327	2.415	38	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CHHO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CHHO){1|C<4>,1|N<3>,2|C<3>}	127.5890	0.000	1	127.5890	0.000	1	126.4327	2.415	38	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]O[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]N)(C[6a]C[6a]2){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)(CH3){1|N<3>,2|C<3>}	127.2253	0.859	7	127.2253	0.738	7	126.4327	2.415	38	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]O[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)(CHHS)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]N)(C[6a]C[6a]2){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)(CHHS){1|N<3>,2|C<3>}	127.2070	0.000	1	127.2070	0.000	1	126.4327	2.415	38	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]O[5a]S)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C[3])(CClHH)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]S)(C[6a]C[6a]2){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C[3])(CClHH){1|H<1>,1|S<2>,2|C<3>,2|C<4>}	127.5730	0.000	1	127.5730	0.000	1	126.4327	2.415	38	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]H)(CHHO)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(C[6a]C[6a]2){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|S<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]H)(CHHO){1|H<1>,2|C<3>}	125.7192	0.504	10	125.7192	0.254	10	126.4327	2.415	38	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CH3){6|C<3>}	128.3540	0.000	1	128.3540	0.000	1	126.4327	2.415	38	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(CCHH)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(CCHH){5|C<3>}	127.8540	0.000	1	127.8540	0.000	1	126.4327	2.415	38	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(CH3)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(CH3){5|C<3>}	125.7993	0.342	4	125.7993	0.117	4	126.4327	2.415	38	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a]S)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a]S)(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,1|S<4>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(SC[6a]OO){2|C<3>,2|H<1>}	128.6810	0.000	1	128.6810	0.000	1	128.6855	0.000	2	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a]S)(C[5a]O[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(SC[6a]OO)	C[5a](C[5a]C[5a]S)(C[5a]O[5a]C)(C[6a]C[6a]2){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,1|S<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(SC[6a]OO){1|C<4>,4|C<3>}	128.6900	0.000	1	128.6900	0.000	1	128.6855	0.000	2	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]F)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[5a]HH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,1|H<1>,2|C<3>,2|F<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]F)2{1|C<4>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[5a]HH){1|C<4>,3|C<3>}	124.9398	0.445	4	124.9398	0.198	4	125.7847	1.544	39	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(CH3){4|C<3>}	124.3330	0.000	1	124.6347	0.097	3	125.7847	1.544	39	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(CH3){1|C<4>,3|C<3>}	124.7855	0.240	2	124.6347	0.097	3	125.7847	1.544	39	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CCCH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CCCH){1|C<4>,3|C<3>}	124.1940	0.000	1	126.8182	2.883	5	125.7847	1.544	39	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CCCH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<2>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CCCH){1|C<2>,1|N<3>,2|C<3>}	127.9623	0.180	3	126.8182	2.883	5	125.7847	1.544	39	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CCCH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CCCH){4|C<3>}	126.0100	0.000	1	126.8182	2.883	5	125.7847	1.544	39	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CH3){1|C<4>,3|C<3>}	126.1460	0.000	1	125.6102	0.176	4	125.7847	1.544	39	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CH3){1|C<4>,3|C<3>}	125.4317	0.269	3	125.6102	0.176	4	125.7847	1.544	39	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]F)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[5a]HH)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,1|H<1>,2|F<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]F)2{1|C<4>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[5a]HH){1|C<4>,3|C<3>}	126.0252	0.944	4	126.0252	0.891	4	125.7847	1.544	39	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(CH3)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(CH3){1|H<1>,5|C<3>}	123.8040	0.000	1	123.8040	0.000	1	125.7847	1.544	39	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Fe)(CHHP)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|Fe<4>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Fe)(CHHP){1|C<4>,3|C<3>}	125.3895	0.912	4	125.3895	0.831	4	125.7847	1.544	39	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CH3){4|C<3>}	125.8350	0.729	5	125.8350	0.532	5	125.7847	1.544	39	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S)(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S)(CH3){1|C<4>,1|H<1>,2|C<3>}	127.9930	0.000	1	127.9930	0.000	1	125.7847	1.544	39	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(CCHH)	C[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(CCHH){2|N<3>,4|C<3>}	125.1680	0.000	1	125.1680	0.000	1	125.7847	1.544	39	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]C[5a]Se)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S)(CC[6a]HH)	C[5a](C[5a]C[5a]Se)(C[5a]N[5a]C)(C[6a]C[6a]2){1|S<4>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|Se<2>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S)(CC[6a]HH){1|Se<2>,1|H<1>,2|C<3>}	127.1520	0.000	1	127.1520	0.000	1	125.7847	1.544	39	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(CH3)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(CH3){5|C<3>}	123.3640	0.000	1	123.3640	0.000	1	125.7847	1.544	39	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]N[5a]C)2(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H)(CH3)	C[5a](C[5a]N[5a]C)2(C[6a]C[6a]2){2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H)(CH3){1|C<4>,2|C<3>}	127.0738	0.528	4	127.0738	0.279	4	125.7847	1.544	39	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]N[5a]C)2(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]Pd)(CH3)	C[5a](C[5a]N[5a]C)2(C[6a]C[6a]2){1|Pd<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<4>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]Pd)(CH3){1|C<4>,2|C<3>}	124.7970	0.000	1	124.7970	0.000	1	125.7847	1.544	39	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:P-4:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]P)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H)(PO3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]P)(C[6a]C[6a]2){2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,1|P<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H)(PO3){3|C<3>}	127.8890	2.974	2	127.8890	8.845	2	128.5257	5.639	3	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:P-4:	C[5a](C[5a]N[5a]C[5])(C[5a]N[5a]P)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H)(PO3)	C[5a](C[5a]N[5a]C[5])(C[5a]N[5a]P)(C[6a]C[6a]2){1|O<2>,3|C<3>,4|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,1|P<4>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H)(PO3){1|C<4>,2|C<3>}	129.7990	0.000	1	129.7990	0.000	1	128.5257	5.639	3	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5,5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5,5a]H)(C[5a]N[5,5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](N[5,5a]C[5,5a]S[5])(C[5a]C[5a]C[6a])(CCHH)	C[5a](C[5a]C[5,5a]H)(C[5a]N[5,5a]C)(C[6a]C[6a]2){1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5a](N[5,5a]C[5,5a]S[5])(C[5a]C[5a]C[6a])(CCHH){1|H<1>,2|O<1>,4|C<3>}	125.1420	0.000	1	125.1420	0.000	1	125.1420	0.000	1	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6a])(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(C[6a]C[6a]2){1|B<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6a])(CH3){1|C<4>,1|N<3>,2|F<1>,3|C<3>}	125.3223	0.822	3	125.7310	0.639	9	125.4095	1.006	12	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6a])(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(C[6a]C[6a]2){1|B<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6a])(CH3){1|C<4>,1|N<3>,2|F<1>,3|C<3>}	125.9353	0.775	6	125.7310	0.639	9	125.4095	1.006	12	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3){1|C<4>,2|H<1>,4|C<3>}	123.3740	0.000	1	123.3740	0.000	1	125.4095	1.006	12	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]N[6a]H)2	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6a])(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(C[6a]C[6a]2){1|B<4>,1|C<3>,2|H<1>,2|N<2>}	C[6a](C[5a]C[5a]2)(C[6a]N[6a]H)2{1|N<3>,2|C<3>,2|C<4>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6a])(CH3){1|C<4>,1|N<3>,2|F<1>,3|C<3>}	124.9805	0.716	2	124.9805	0.513	2	125.4095	1.006	12	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]N[6]H)	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]N[6]H){1|H<1>,5|C<3>}	123.9970	0.000	1	123.9970	0.000	1	124.2470	0.125	2	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CHHN)	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CHHN){1|H<1>,5|C<3>}	124.4970	0.000	1	124.4970	0.000	1	124.2470	0.125	2	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]N[5a]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(CH3)	C[5a](C[5a]N[5a]C)2(C[6a]C[6a]2){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<4>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(CH3){1|C<4>,4|C<3>}	128.7880	0.000	1	128.7880	0.000	1	128.7880	0.000	1	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(C[5a]C[5a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[5a]HH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){2|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)2(C[5a]C[5a]2){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[5a]HH){1|C<4>,3|C<3>}	125.4563	1.208	3	125.4563	1.460	3	125.4563	1.460	3	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]C){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|C<4>,1|H<1>,4|C<3>}	129.1615	0.791	2	129.1615	0.626	2	131.3150	1.571	36	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH){1|H<1>,3|C<3>}	130.0185	0.562	2	130.0185	0.316	2	131.3150	1.571	36	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|H<1>,5|C<3>}	131.1180	0.000	1	131.1180	0.000	1	131.3150	1.571	36	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH){1|H<1>,3|C<3>}	131.5999	0.764	11	131.5999	0.584	11	131.3150	1.571	36	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CC[6a]HS)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CC[6a]HS){1|C<4>,1|H<1>,2|C<3>}	133.0520	0.000	1	133.0520	0.000	1	131.3150	1.571	36	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3){1|H<1>,3|C<3>}	131.5965	1.294	4	130.6027	2.466	7	131.3150	1.571	36	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3){1|H<1>,3|C<3>}	129.2777	0.530	3	130.6027	2.466	7	131.3150	1.571	36	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]N)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]N){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCHH){1|Cl<1>,1|N<3>,2|C<3>}	133.2230	0.000	1	133.2230	0.000	1	131.3150	1.571	36	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	132.7660	0.000	1	132.7660	0.000	1	131.3150	1.571	36	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CC[5a]HH)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]H){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CC[5a]HH){2|C<3>,2|H<1>}	132.6110	0.000	1	132.5530	0.007	2	131.3150	1.571	36	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CC[5a]HH)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CC[5a]HH){1|H<1>,2|C<3>}	132.4950	0.000	1	132.5530	0.007	2	131.3150	1.571	36	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CH3)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]H){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CH3){2|C<3>,2|H<1>}	130.7845	0.265	2	131.0788	0.214	4	131.3150	1.571	36	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CH3)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CH3){1|H<1>,2|C<3>}	131.3730	0.475	2	131.0788	0.214	4	131.3150	1.571	36	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])2(CC[6a]HH)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])2(CC[6a]HH){1|H<1>,4|C<3>}	131.8985	1.255	2	131.8985	1.575	2	131.3150	1.571	36	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]O)(CH3)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]C){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]O)(CH3){1|C<4>,2|C<3>}	131.3190	0.000	1	131.3190	0.000	1	131.3150	1.571	36	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]O)(CC[6a]2H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]O)(CC[6a]2H){1|H<1>,2|C<3>}	132.4650	0.000	1	132.4650	0.000	1	131.3150	1.571	36	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[3]-4:	C[5a](C[5a]C[5a]C[3])(C[6a]C[6a]2)(N[5a]N[5a]S)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])2(C[3]C[3]2H)	C[5a](C[5a]C[5a]C[3])(C[6a]C[6a]2)(N[5a]N[5a]S){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|S<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])2(C[3]C[3]2H){1|S<4>,2|H<1>,6|C<3>}	129.9110	0.000	1	129.9110	0.000	1	129.9110	0.000	1	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6]-4:	C[5a](C[5a]C[5a]C[6])(C[6a]C[6a]2)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6]C[6]2H)	C[5a](C[5a]C[5a]C[6])(C[6a]C[6a]2)(N[5a]N[5a]H){4|C<3>,4|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6]C[6]2H){1|H<1>,6|C<3>}	133.4399	0.655	7	133.4399	0.429	7	133.4399	0.429	7	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]C[5a]C){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(SC[6a]OO){2|C<3>,2|C<4>}	132.0480	0.000	1	132.0480	0.000	1	132.6650	1.241	3	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]C[5a]H){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|S<4>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(SC[6a]OO){1|H<1>,3|C<3>}	133.9510	0.000	1	133.9510	0.000	1	132.6650	1.241	3	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])2(SC[6a]OO)	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]C){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|S<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])2(SC[6a]OO){1|C<4>,4|C<3>}	131.9960	0.000	1	131.9960	0.000	1	132.6650	1.241	3	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,5|C<3>}	127.0920	1.199	2	127.0920	1.438	2	128.7764	4.755	56	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCCH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCCH){1|C<4>,1|H<1>,4|C<3>}	129.2040	0.000	1	129.2040	0.000	1	128.7764	4.755	56	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCFF)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCFF){1|C<4>,1|H<1>,4|C<3>}	130.8220	0.000	1	130.8220	0.000	1	128.7764	4.755	56	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]2O)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]2O){1|H<1>,5|C<3>}	132.4150	0.000	1	132.4150	0.000	1	128.7764	4.755	56	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]CH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]CH){1|C<4>,1|H<1>,4|C<3>}	127.8360	0.000	1	127.8360	0.000	1	128.7764	4.755	56	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|C<4>,1|H<1>,4|C<3>}	128.3855	1.506	14	128.3855	2.267	14	128.7764	4.755	56	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CHHO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CHHO){1|C<4>,1|H<1>,4|C<3>}	128.2170	0.000	1	128.2170	0.000	1	128.7764	4.755	56	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|C<4>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){2|H<1>,4|C<3>}	128.9260	0.000	1	128.9260	0.000	1	128.7764	4.755	56	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){2|H<1>,4|C<3>}	126.0206	0.881	5	126.4375	0.683	13	128.7764	4.755	56	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){2|H<1>,4|C<3>}	126.6980	0.725	8	126.4375	0.683	13	128.7764	4.755	56	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){2|H<1>,4|C<3>}	131.8774	0.415	5	131.8774	0.172	5	128.7764	4.755	56	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]CH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]CH){2|H<1>,4|C<3>}	129.5294	1.855	5	129.5294	3.443	5	128.7764	4.755	56	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]C[6]H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]C[6]H){2|H<1>,4|C<3>}	133.0630	0.000	1	133.0630	0.000	1	128.7764	4.755	56	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){1|N<2>,2|H<1>,3|C<3>}	130.3010	0.218	2	130.3010	0.047	2	128.7764	4.755	56	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	130.9880	0.880	2	130.9688	0.449	4	128.7764	4.755	56	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){2|H<1>,4|C<3>}	130.9495	0.756	2	130.9688	0.449	4	128.7764	4.755	56	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHO){1|H<1>,1|S<4>,4|C<3>}	130.5095	0.380	2	130.5095	0.144	2	128.7764	4.755	56	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,1|S<4>,4|C<3>}	126.5985	0.139	2	126.5985	0.019	2	128.7764	4.755	56	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[5,6a]2C)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){1|C<2>,2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[5,6a]2C){1|C<4>,1|H<1>,8|C<3>}	131.6660	0.000	1	131.6660	0.000	1	130.5960	0.966	3	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[5]2H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[5]2H){5|H<1>,6|C<3>}	130.3890	0.000	1	130.0610	0.215	2	130.5960	0.966	3	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[5]2H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[5]2H){1|C<4>,1|N<2>,1|N<3>,3|H<1>,6|C<3>}	129.7330	0.000	1	130.0610	0.215	2	130.5960	0.966	3	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C[3])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6]C[6]2H)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,3|C<4>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C[3])(C[6a]C[6a]H){3|C<3>,3|H<1>,4|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6]C[6]2H){3|C<4>,4|C<3>,5|H<1>}	130.5310	0.000	1	130.5310	0.000	1	131.5065	1.143	4	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6]C[6]2H)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,3|C<4>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C[6])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6]C[6]2H){1|C<4>,2|O<2>,4|H<1>,5|C<3>}	132.4180	0.000	1	132.4180	0.000	1	131.5065	1.143	4	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6]C[6]2H)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6]C[6]2H){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	130.6320	0.000	1	131.5385	1.643	2	131.5065	1.143	4	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6]C[6]2H)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6]C[6]2H){1|C<4>,4|H<1>,6|C<3>}	132.4450	0.000	1	131.5385	1.643	2	131.5065	1.143	4	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a,6a]P)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(PC[6a]2S)	C[5a](C[5a]C[5a,6a]P)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|P<4>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(PC[6a]2S){1|H<1>,5|C<3>}	130.9180	0.000	1	130.9180	0.000	1	131.5760	0.866	2	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a,6a]P)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(PO3)	C[5a](C[5a]C[5a,6a]P)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|P<4>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(PO3){2|H<1>,4|C<3>}	132.2340	0.000	1	132.2340	0.000	1	131.5760	0.866	2	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC[6a]OO)	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|S<4>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC[6a]OO){2|H<1>,4|C<3>}	133.5520	0.000	1	133.5520	0.000	1	133.5520	0.000	1	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[5a]S[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]C[5a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a])(CH3)	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[5a]S[5a]C){1|N<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]C[5a])(C[5a]C[5a]2){2|C<4>,2|N<2>,2|S<2>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a])(CH3){1|C<4>,4|C<3>}	122.6260	0.593	2	122.6260	0.351	2	122.6260	0.351	2	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)(C[5a]N[5a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]O)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CH3)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)(C[5a]N[5a]C){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]O){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CH3){1|H<1>,3|C<3>}	124.5800	1.645	2	124.5800	2.705	2	124.6695	4.930	4	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)(C[5a]O[5a]H)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[5a]C[5a]2)(C[6a]C[6a]O)	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]H)(CH3)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)(C[5a]O[5a]H){1|H<1>,2|C<3>,2|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[5a]C[5a]2)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]H)(CH3){1|H<1>,2|C<3>}	127.2140	0.000	1	127.2140	0.000	1	124.6695	4.930	4	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)(C[5a]S[5a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]C)	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)(CH3)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)(C[5a]S[5a]C){2|C<4>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]C){1|C<4>,1|S<2>,2|H<1>,5|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)(CH3){3|C<3>}	122.3040	0.000	1	122.3040	0.000	1	124.6695	4.930	4	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a,6]C)(C[5a]N[5a,6]C)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a,6a]H)(C[5a]C[5a]2)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a,6]C)(C[5a]N[5a,6]C){1|B<4>,1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a,6a]H)(C[5a]C[5a]2){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3){1|B<4>,2|C<4>,3|C<3>}	126.3250	0.000	1	126.3250	0.000	1	126.3250	0.000	1	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a,6a]-3:C[6a]-3:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a,6]C)(C[5a]N[5a,6]C)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a,6a]H)(C[5a]C[5a]2)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6a])(CH3)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a,6]C)(C[5a]N[5a,6]C){1|B<4>,1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a,6a]H)(C[5a]C[5a]2){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6a])(CH3){1|C<4>,1|N<3>,2|F<1>,3|C<3>}	126.1780	0.000	1	126.1780	0.000	1	126.1780	0.000	1	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCCH)	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCCH){1|H<1>,5|C<3>}	126.4830	0.000	1	126.4830	0.000	1	126.8300	0.427	8	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,5|C<3>}	126.8570	0.000	1	126.8570	0.000	1	126.8300	0.427	8	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|H<1>,5|C<3>}	127.0722	0.897	4	126.9480	0.681	5	126.8300	0.427	8	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|S<2>,2|C<4>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|C<4>,1|H<1>,4|C<3>}	126.4510	0.000	1	126.9480	0.681	5	126.8300	0.427	8	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|S<2>,1|S<4>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|H<1>,1|S<4>,4|C<3>}	126.5600	0.000	1	126.5600	0.000	1	126.8300	0.427	8	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	N[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:S-4:	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]S)(C[6a]C[6a]2)	C[6a](C[5a]N[5,5a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(SC[6a]OO)	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]S)(C[6a]C[6a]2){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[5a]N[5,5a]C[5a])(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(SC[6a]OO){2|C<3>,2|C<4>}	133.5880	0.000	1	133.9530	0.266	2	133.9530	0.266	2	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	N[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:S-4:	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]S)(C[6a]C[6a]2)	C[6a](C[5a]N[5,5a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(SC[6a]OO)	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]S)(C[6a]C[6a]2){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5a]N[5,5a]C[5a])(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(SC[6a]OO){2|C<3>,2|C<4>}	134.3180	0.000	1	133.9530	0.266	2	133.9530	0.266	2	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]N[5a,6]C[6a])(CH3)	C[5a](N[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]C)(C[6a]C[6a]2){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]N[5a,6]C[6a])(CH3){1|C<4>,1|H<1>,4|C<3>}	129.2400	0.000	1	129.2400	0.000	1	129.2400	0.000	1	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CCCH)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CCCH){4|C<3>}	127.1920	0.000	1	127.1920	0.000	1	129.0756	1.694	5	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CC[6a]HH)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<2>,3|H<1>,4|C<3>}	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CC[6a]HH){4|C<3>}	129.4470	1.404	2	129.6483	1.108	3	129.0756	1.694	5	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CC[6a]HH)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CC[6a]HH){4|C<3>}	130.0510	0.000	1	129.6483	1.108	3	129.0756	1.694	5	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CH3)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<2>,3|H<1>,4|C<3>}	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CH3){4|C<3>}	129.2410	0.000	1	129.2410	0.000	1	129.0756	1.694	5	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|N<3>,1|O<1>,4|C<3>}	130.4170	0.000	1	130.4170	0.000	1	129.1445	3.239	2	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[5a]C[6a]H)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[5a]C[6a]H){1|N<2>,5|C<3>}	127.8720	0.000	1	127.8720	0.000	1	129.1445	3.239	2	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3)	C[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3){4|C<3>}	128.4220	0.000	1	128.4220	0.000	1	127.7611	10.746	18	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CH3){6|C<3>}	127.9750	0.000	1	127.9750	0.000	1	127.7611	10.746	18	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCCH)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCCH){1|C<4>,3|C<3>}	131.6530	0.000	1	131.0295	0.778	2	127.7611	10.746	18	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCCH)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCCH){4|C<3>}	130.4060	0.000	1	131.0295	0.778	2	127.7611	10.746	18	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)(CF3)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)(CF3){4|C<3>}	132.5560	0.000	1	132.5560	0.000	1	127.7611	10.746	18	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]N[5])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3)	C[5a](N[5a]C[5a]N[5])(C[5a]C[5a]C)(C[6a]C[6a]2){4|C<3>,4|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3){1|H<1>,1|N<3>,2|C<3>}	130.8660	0.000	1	130.8660	0.000	1	127.7611	10.746	18	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]Pt)(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH)	C[5a](N[5a]C[5a]Pt)(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Pt<4>,1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH){1|Pt<4>,3|C<3>}	128.9365	0.697	2	128.9365	0.485	2	127.7611	10.746	18	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]Rh)(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH)	C[5a](N[5a]C[5a]Rh)(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Rh<4>,1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH){1|Rh<4>,3|C<3>}	123.8603	0.630	6	123.8603	0.397	6	127.7611	10.746	18	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]S)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CCHH)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|H<1>,1|S<2>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]S){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CCHH){3|C<3>}	125.3940	0.000	1	125.3940	0.000	1	127.7611	10.746	18	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CH3){3|C<3>}	130.4643	1.298	3	130.4643	1.686	3	127.7611	10.746	18	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:S-4:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]S)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]S)(C[6a]C[6a]2){4|C<3>,4|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|S<4>,2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(SC[6a]OO){1|H<1>,3|C<3>}	130.6420	0.000	1	130.6420	0.000	1	132.0760	1.700	3	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:S-4:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(SC[6a]OO)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|S<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(SC[6a]OO){3|C<3>}	133.1900	0.000	1	133.1900	0.000	1	132.0760	1.700	3	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:S-4:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])2(SC[6a]OO)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|S<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])2(SC[6a]OO){5|C<3>}	132.3960	0.000	1	132.3960	0.000	1	132.0760	1.700	3	128.0414	8.180	298	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5]-4:N[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]O)	C[5a](C[5a]C[5a,6a]C[6a])(C[5]C[6a]C[5]N[5])(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(C[6a]C[6a]2){1|N<3>,1|O<2>,2|H<1>,7|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(C[5]C[6a]C[5]N[5])(N[5a]C[5a,6a]H){1|H<1>,1|O<1>,8|C<3>}	125.9560	0.000	1	125.9560	0.000	1	125.9560	0.000	1	128.5972	10.047	10	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:4:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C-4:C[5a]-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(CC[6a]N[5a]H)(C[5a]N[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2){2|C<3>,4|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(CC[6a]N[5a]H)(C[5a]N[5a]H){2|C<3>,2|H<1>}	127.8120	0.000	1	127.8120	0.000	1	127.8120	0.000	1	128.5972	10.047	10	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:4:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C-4:N[5a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(CC[6a]C[5]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(CC[6a]C[5]H)(N[5a]C[5a]H){4|C<3>}	125.4050	1.400	2	125.4050	1.960	2	125.4050	1.960	2	128.5972	10.047	10	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:4:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[3]-4:C[5a]-3:	C[5a](C[5a]C[5a]C[3])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]C)2	C[5a](C[5a]C[5a]C[6a])(C[3]C[6a]C[3]2)(C[5a]N[5a]H)	C[5a](C[5a]C[5a]C[3])(C[5a]N[5a]H)(C[6a]C[6a]2){1|H<1>,1|S<4>,3|C<3>,4|C<4>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[3]C[6a]C[3]2)(C[5a]N[5a]H){1|S<4>,4|H<1>,5|C<3>}	126.4470	0.000	1	126.4470	0.000	1	126.4470	0.000	1	128.5972	10.047	10	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:4:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5]-4:C[5a]-3:	C[5a](C[5a]C[5a,6]C[5])(N[5a]C[5a,6]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6]C[5a,6]C[6])(C[5]C[5,6a]C[5]H)(C[5a]C[6a]N[5a])	C[5a](C[5a]C[5a,6]C[5])(N[5a]C[5a,6]N)(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5]C[5,6a]C[5]H)(C[5a]C[6a]N[5a]){2|C<4>,2|N<3>,2|O<1>,4|C<3>}	132.8580	0.000	1	132.8580	0.000	1	132.8580	0.000	1	128.5972	10.047	10	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:4:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[6a]C[5]N[5])(C[5a]C[6a]N[5a])	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[6a]C[5]N[5])(C[5a]C[6a]N[5a]){1|H<1>,1|O<1>,2|C<4>,8|C<3>}	132.2540	0.000	1	132.2540	0.000	1	131.8953	0.132	3	128.5972	10.047	10	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:4:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[6a]C[5]N[5])(C[5a]C[6a]N[5a])	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[6a]C[5]N[5])(C[5a]C[6a]N[5a]){1|O<1>,3|H<1>,8|C<3>}	131.7160	0.266	2	131.7160	0.071	2	131.8953	0.132	3	128.5972	10.047	10	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:4:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5]-4:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[5])(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5a]C[5a,6a]C)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[5])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5a]C[5a,6a]C){1|N<3>,1|O<1>,6|C<3>}	126.4030	0.000	1	126.4030	0.000	1	126.4030	0.000	1	128.5972	10.047	10	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	4:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]C[5])(C[5a]N[5a]P)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2	C[5a](C[5]C[5,6a]O[5]H)(C[5a]C[5a]C[6a])(N[5a]N[5a])	C[5a](C[5a]N[5a]C[5])(C[5a]N[5a]P)(C[6a]C[6a]2){1|O<2>,3|C<3>,4|H<1>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,1|P<4>}	C[5a](C[5]C[5,6a]O[5]H)(C[5a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,1|P<4>,5|C<3>}	125.9200	0.000	1	125.9200	0.000	1	125.9200	0.000	1	125.9200	0.000	1	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	4:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5]C[5,6a]C[5]H)(C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]C){4|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[5a](C[5]C[5,6a]C[5]H)(C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	130.4060	0.000	1	130.4060	0.000	1	130.4060	0.000	1	128.8660	1.807	3	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	0:SP2_SP2_SP2	C[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	4:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C[5])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5]C[5,6a]C[5]H)(C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C[5])(C[6a]C[6a]2){4|H<1>,7|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5]C[5,6a]C[5]H)(C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	128.0960	0.239	2	128.0960	0.057	2	128.0960	0.057	2	128.8660	1.807	3	129.1135	10.451	6578	131.7308	11.331	23899
727	643	727	6:SP2_SP2_SP2	C[5,5,6a]	C[6a,6a]	C[5,5,6a]	3:3:4:	3:3:3:	3:3:4:	C[5,5,6a]-3:C[6a,6a]-3:C[4,5,5]-4:	C[5,5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,5,6a]-3:C[5,5,6a]-3:C[4,5,5]-4:	C[5,5,6a](C[5,5,6a]C[5,5,6a]C[4,5,5])(C[6a,6a]C[6a,6a]C[6a])(C[4,5,5]C[4,5]2H)	C[6a,6a](C[5,5,6a]C[5,5,6a]C[4,5,5])(C[6a,6a]C[5,5,6a]C[6a])(C[6a]C[6a]H)	C[5,5,6a](C[5,5,6a]C[5,5,6a]C[4,5,5])(C[5,5,6a]C[4,5,5]C[6a,6a])(C[4,5,5]C[4,5]2H)	C[5,5,6a](C[5,5,6a]C[5,5,6a]C[4,5,5])(C[6a,6a]C[6a,6a]C[6a])(C[4,5,5]C[4,5]2H){1|C<4>,3|C<3>,6|H<1>}	C[6a,6a](C[5,5,6a]C[5,5,6a]C[4,5,5])(C[6a,6a]C[5,5,6a]C[6a])(C[6a]C[6a]H){2|C<3>,3|H<1>,4|C<4>}	C[5,5,6a](C[5,5,6a]C[5,5,6a]C[4,5,5])(C[5,5,6a]C[4,5,5]C[6a,6a])(C[4,5,5]C[4,5]2H){2|C<3>,3|C<4>,6|H<1>}	123.0883	0.186	4	123.0883	0.035	4	123.0883	0.035	4	123.0883	0.035	4	123.0883	0.035	4	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6,6a]	C[5,5,6a]	4:3:3:	3:3:4:	4:3:3:	C[5,5,6]-4:C[5,5,6a]-3:C[6,6,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,5,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,5,6a]C[5,6a,6a]C[5,5,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,5,6a]C[5,5,6])(C[5,6,6]C[5,6,6a]2Cl)	C[5,5,6a](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[6,6,6a]C[5,5,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,5,6a]C[5,6a,6a]C[5,5,6])(C[6,6,6a]C[5,6,6a]C[5,6,6]){3|Cl<1>,1|C<4>,7|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,5,6a]C[5,5,6])(C[5,6,6]C[5,6,6a]2Cl){2|Cl<1>,2|C<4>,7|C<3>}	C[5,5,6a](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[6,6,6a]C[5,5,6])(C[5,6a,6a]C[5,6a,6a]2){2|Cl<1>,1|C<4>,6|C<3>}	120.1470	0.000	1	120.1470	0.000	1	120.1470	0.000	1	120.1470	0.000	1	120.1470	0.000	1	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3x6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[3x6])(C[5,6,6a]C[5,6,6a]2)	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[3x6]C[5,6,6]2)	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[3x6])(C[5,6,6a]C[5,6,6a]2){3|C<4>,6|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[3x6]C[5,6,6]2){4|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6]){3|C<4>,7|C<3>}	121.0790	0.000	1	121.0790	0.000	1	121.0790	0.000	1	121.0790	0.000	1	121.4579	0.857	23	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3x6]-3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[3x6])(C[5,6,6a]C[5,6,6a]2)	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[3x6]C[5,6,6]2)	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[3x6])(C[5,6,6a]C[5,6,6a]2){3|C<4>,6|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[3x6]C[5,6,6]2){4|C<4>,7|C<3>}	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|C<4>,7|C<3>}	122.9990	0.000	1	122.9990	0.000	1	122.9990	0.000	1	122.9990	0.000	1	121.4579	0.857	23	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6,6a]	C[5,6,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6a,6a]-3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,5,6]Cl)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]C[5,5,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,1|C<4>,7|C<3>}	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,5,6]Cl){1|Cl<1>,1|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]C[5,5,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,3|C<4>,5|C<3>}	120.1170	0.000	1	120.1170	0.000	1	120.1170	0.000	1	120.1170	0.000	1	121.4579	0.857	23	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6,6a]	C[5,6,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:	C[6,6,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)	C[5,6,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6]){4|C<4>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2){3|C<4>,7|C<3>}	C[5,6,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6]){3|C<4>,6|C<3>}	123.1920	0.000	1	123.1920	0.000	1	123.1920	0.000	1	123.1920	0.000	1	121.4579	0.857	23	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6,6a]	C[5,6,6a]	3:3:3:	3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:	C[6,6,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[6,6,6a]-3:	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6]){4|C<4>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2){3|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6]){3|C<4>,6|C<3>}	122.4100	0.000	1	122.4100	0.000	1	122.4100	0.000	1	122.4100	0.000	1	121.4579	0.857	23	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6,6a]	C[5,6,6a]	3:3:4:	3:3:4:	3:3:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]C[3x6]C)	C[6,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C)	C[5,6,6a](C[5,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]C[3x6]C){4|C<4>,5|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C){3|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){5|C<3>,5|C<4>}	121.2290	0.000	1	121.2290	0.000	1	121.2290	0.000	1	121.2290	0.000	1	121.4579	0.857	23	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6,6a]	C[5,6,6a]	3:3:4:	4:3:3:	3:3:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6a]-3:C[6,6,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]C[3x6]C)	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])	C[5,6,6a](C[5,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]C[3x6]C){4|C<4>,5|C<3>}	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6]){4|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){5|C<3>,5|C<4>}	121.3580	0.000	1	121.3580	0.000	1	121.3580	0.000	1	121.3580	0.000	1	121.4579	0.857	23	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6,6a]	C[5,6,6a]	3:3:4:	4:3:3:	3:3:4:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6a]-3:C[6,6a,6a]-3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl)	C[6,6,6a](C[5,6,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6a,6a]C[5,6,6a]C[3x6a])	C[5,6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl)	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl){4|Cl<1>,3|C<4>,5|C<3>}	C[6,6,6a](C[5,6,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6a,6a]C[5,6,6a]C[3x6a]){3|Cl<1>,4|C<3>,5|C<4>}	C[5,6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl){3|Cl<1>,3|C<4>,5|C<3>}	122.0640	0.000	1	122.0640	0.000	1	122.0640	0.000	1	122.0640	0.000	1	121.4579	0.857	23	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6,6a]	C[5,6,6a]	3:4:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3x6]-3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[3x6])	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[3x6]C[5,6,6]2)	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[3x6]){2|C<4>,6|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[3x6]C[5,6,6]2){4|C<4>,8|C<3>}	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2){2|C<4>,7|C<3>}	121.7770	0.000	1	121.7770	0.000	1	121.7770	0.000	1	121.7770	0.000	1	121.4579	0.857	23	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6,6a]	C[5,6,6a]	3:4:3:	3:3:4:	3:3:3:	C[5,6,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[6,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){2|C<4>,9|C<3>}	C[5,6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2){3|C<4>,6|C<3>}	121.1590	0.000	1	121.1590	0.000	1	121.1590	0.000	1	121.1590	0.000	1	121.4579	0.857	23	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6,6a]	C[5,6,6a]	3:4:3:	3:3:4:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6,6,6a]-3:	C[6,6,6a]-3:C[5,6,6a]-3:C[3x6]-4:	C[6,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,5,6]C[5,5,6]C[5,6,6]Cl)(C[6,6,6a]C[6,6,6a]C[3x6])	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,5,6])(C[3x6]C[6,6,6a]C[3x6]Cl)	C[5,6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6a]C[6,6,6a]C[5,5,6])	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,5,6]C[5,5,6]C[5,6,6]Cl)(C[6,6,6a]C[6,6,6a]C[3x6]){3|Cl<1>,4|C<3>,4|C<4>}	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,5,6])(C[3x6]C[6,6,6a]C[3x6]Cl){2|Cl<1>,3|C<4>,6|C<3>}	C[5,6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6a]C[6,6,6a]C[5,5,6]){3|Cl<1>,3|C<4>,5|C<3>}	122.4770	0.000	1	122.4770	0.000	1	122.4770	0.000	1	122.1995	0.154	2	121.4579	0.857	23	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6,6a]	C[5,6,6a]	3:4:3:	3:3:4:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6,6,6a]-3:	C[6,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[6,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,5,6]C[5,5,6]C[5,6,6]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,5,6])(C[5,6,6]C[5,6,6]2Cl)	C[5,6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6a]C[6,6,6a]C[5,5,6])	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,5,6]C[5,5,6]C[5,6,6]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6]){4|Cl<1>,4|C<3>,4|C<4>}	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,5,6])(C[5,6,6]C[5,6,6]2Cl){4|Cl<1>,4|C<3>,5|C<4>}	C[5,6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6a]C[6,6,6a]C[5,5,6]){3|Cl<1>,3|C<4>,5|C<3>}	121.9220	0.000	1	121.9220	0.000	1	121.9220	0.000	1	122.1995	0.154	2	121.4579	0.857	23	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6,6a]	C[5,6,6a]	3:4:3:	3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[6,6,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[6,6a,6a]-3:	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[6,6a,6a]C[6,6a,6a]2)	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[6,6,6a]C[5,6,6]){3|C<4>,7|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6]){4|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[6,6a,6a]C[6,6a,6a]2){2|C<4>,7|C<3>}	120.8280	0.000	1	120.8280	0.000	1	120.8280	0.000	1	120.8280	0.000	1	121.4579	0.857	23	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6,6a]	C[5,6,6a]	4:3:3:	3:3:3:	3:4:3:	C[5,6,6]-4:C[5,6,6a]-3:C[6,6,6a]-3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[3x6]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6a,6a]C[3x6])	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[3x6]C[6,6,6a]C[5,6,6])	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6a,6a]C[3x6]){2|C<4>,7|C<3>}	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[3x6]C[6,6,6a]C[5,6,6]){3|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6a]C[6,6,6a]C[5,6,6]){2|C<4>,8|C<3>}	123.2450	0.000	1	123.2450	0.000	1	123.2450	0.000	1	123.2450	0.000	1	121.4579	0.857	23	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6,6a]	C[5,6,6a]	4:3:3:	3:3:4:	3:3:3:	C[5,6,6]-4:C[5,6,6a]-3:C[6,6,6a]-3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[6,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6a](C[5,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6]){4|C<4>,5|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){3|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){5|C<3>,5|C<4>}	121.3380	0.000	1	121.3380	0.000	1	121.3380	0.000	1	120.7147	0.184	4	121.4579	0.857	23	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6,6a]	C[5,6,6a]	4:3:3:	3:3:4:	3:3:3:	C[5,6,6]-4:C[5,6,6a]-3:C[6,6,6a]-3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[6,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6]){3|C<4>,6|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){3|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6]){4|C<4>,6|C<3>}	120.4280	0.000	1	120.4280	0.000	1	120.4280	0.000	1	120.7147	0.184	4	121.4579	0.857	23	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6,6a]	C[5,6,6a]	4:3:3:	3:3:4:	3:3:3:	C[5,6,6]-4:C[6,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)	C[6,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2){2|C<4>,7|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){3|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2){4|C<4>,5|C<3>}	120.5465	0.155	2	120.5465	0.024	2	120.5465	0.024	2	120.7147	0.184	4	121.4579	0.857	23	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6,6a]	C[5,6,6a]	4:3:3:	3:3:4:	4:3:3:	C[5,6,6]-4:C[5,6,6a]-3:C[6,6,6a]-3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6a]-3:C[6,6,6a]-3:	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[6,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6]){4|C<4>,6|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){4|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6]){4|C<4>,6|C<3>}	121.1590	0.000	1	121.1590	0.000	1	121.1590	0.000	1	121.1590	0.000	1	121.4579	0.857	23	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6,6a]	C[5,6,6a]	4:3:3:	4:3:3:	3:3:3:	C[5,6,6]-4:C[6,6,6a]-3:C[5,6,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[6,6,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2){2|C<4>,7|C<3>}	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6]){3|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2){4|C<4>,5|C<3>}	120.1920	0.000	1	120.1920	0.000	1	120.1920	0.000	1	120.1920	0.000	1	121.4579	0.857	23	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6,6a]	C[5,6,6a]	4:3:3:	4:3:3:	4:3:3:	C[5,6,6]-4:C[5,6,6a]-3:C[6,6,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[6,6,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[6,6,6a]-3:	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6]){4|C<4>,6|C<3>}	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6]){5|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6]){4|C<4>,6|C<3>}	120.6390	0.000	1	120.6390	0.000	1	120.6390	0.000	1	121.1550	0.220	3	121.4579	0.857	23	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6,6a]	C[5,6,6a]	4:3:3:	4:3:3:	4:3:3:	C[5,6,6]-4:C[5,6,6a]-3:C[6,6,6a]-3:	C[5,6,6]-4:C[6,6,6a]-3:C[5,6,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[6,6a,6a]-3:	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[6,6a,6a]C[6,6a,6a]2)	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6]){2|Cl<1>,1|C<4>,7|C<3>}	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6]){2|Cl<1>,2|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[6,6a,6a]C[6,6a,6a]2){1|Cl<1>,1|C<4>,7|C<3>}	121.4130	0.202	2	121.4130	0.041	2	121.4130	0.041	2	121.1550	0.220	3	121.4579	0.857	23	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-3:	C[5a,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3x6a]-3:	C[5,6,6a](C[6,6,6a]C[5a,6,6a]C[6,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[5,6,6]C[5,6,6]2)	C[6,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]2)	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[5,6,6a](C[6,6,6a]C[5a,6,6a]C[6,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[5,6,6]C[5,6,6]2){2|C<4>,7|C<3>}	C[6,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]2){2|C<4>,7|C<3>}	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[3x6a]C[5a,6a,6a]C[3x6a]){3|C<4>,5|C<3>}	121.2210	0.000	1	121.2210	0.000	1	121.2210	0.000	1	121.2210	0.000	1	120.8377	0.663	62	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6,6a]	C[5,6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6a,6a]-3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,5,6]Cl)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,1|C<4>,7|C<3>}	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,5,6]Cl){1|Cl<1>,1|C<4>,8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,7|C<3>}	121.8290	0.000	1	121.8290	0.000	1	121.8290	0.000	1	121.8290	0.000	1	120.8377	0.663	62	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6,6a]	C[5,6a,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6a,6a]-3:	C[5,6,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl)	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,5,6]C[5,6,6])	C[5,6a,6a](C[5,6,6a]C[6,6,6a]C[5,6,6])2(C[6,6a,6a]C[6,6,6a]2)	C[5,6,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl){2|Cl<1>,2|C<4>,6|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,5,6]C[5,6,6]){3|Cl<1>,2|C<3>,7|C<4>}	C[5,6a,6a](C[5,6,6a]C[6,6,6a]C[5,6,6])2(C[6,6a,6a]C[6,6,6a]2){2|Cl<1>,4|C<3>,4|C<4>}	120.7790	0.000	1	120.7790	0.000	1	120.7790	0.000	1	121.0245	0.121	2	120.8377	0.663	62	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6,6a]	C[5,6a,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[6,6,6a]-3:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[3x6a]-3:	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[6,6,6a](C[6,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])2	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|C<4>,7|C<3>}	C[6,6,6a](C[6,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])2{2|C<4>,9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[3x6a]C[5,6a,6a]C[3x6a]){1|C<4>,8|C<3>}	121.2700	0.000	1	121.2700	0.000	1	121.2700	0.000	1	121.0245	0.121	2	120.8377	0.663	62	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6,6a]	C[5,6a,6a]	3:3:4:	3:4:3:	3:3:3:	C[6,6,6a]-3:C[5,6a,6a]-3:C[5,6]-4:	C[6,6a,6a]-3:C[3x6]-4:C[5,6,6a]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a](C[6,6,6a]C[6,6a,6a]C[3x6])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6]C[5,6a]O[6]H)	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[3x6]C[6,6,6a]C[6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,6,6a]C[6,6,6a]C[5,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[6,6,6a]C[6,6a,6a]C[3x6])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6]C[5,6a]O[6]H){1|C<4>,7|C<3>}	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[3x6]C[6,6,6a]C[6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6]){10|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,6,6a]C[6,6,6a]C[5,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	121.4540	0.000	1	121.4540	0.000	1	121.4540	0.000	1	121.4540	0.000	1	120.8377	0.663	62	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6,6a]	C[5,6a,6a]	3:4:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3x6]-3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6,6a]-3:	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[3x6])	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[3x6]C[5,6,6]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6a,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[3x6]){1|C<4>,7|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[3x6]C[5,6,6]2){4|C<4>,7|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6a,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6]){3|C<4>,6|C<3>}	121.0470	0.000	1	121.0470	0.000	1	121.3785	0.220	2	121.4542	0.906	9	120.8377	0.663	62	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6,6a]	C[5,6a,6a]	3:4:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3x6]-3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6,6a]-3:	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[3x6])	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[3x6]C[5,6,6]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6a,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[3x6]){2|C<4>,6|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[3x6]C[5,6,6]2){4|C<4>,8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6a,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	121.7100	0.000	1	121.7100	0.000	1	121.3785	0.220	2	121.4542	0.906	9	120.8377	0.663	62	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6,6a]	C[5,6a,6a]	3:4:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6,6a]-3:C[6,6,6a]-3:C[3x6]-3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6,6a]-3:	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[6,6,6a]C[3x6])	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[3x6]C[6,6,6a]C[5,6,6])	C[5,6a,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[6,6,6a]C[3x6]){1|C<4>,7|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[3x6]C[6,6,6a]C[5,6,6]){4|C<4>,7|C<3>}	C[5,6a,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	120.1390	0.000	1	120.1390	0.000	1	120.1390	0.000	1	121.4542	0.906	9	120.8377	0.663	62	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6,6a]	C[5,6a,6a]	3:4:3:	3:3:3:	3:3:3:	C[6,6,6a]-3:C[5,5,6]-4:C[5,6a,6a]-3:	C[6,6,6a]-3:C[5,6,6a]-3:C[6,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3x6a]-3:	C[5,6,6a](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6a,6a]C[5,6,6a]C[3x6a])	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,5,6])(C[6,6a,6a]C[5,6,6a]C[3x6a])	C[5,6a,6a](C[5,6,6a]C[6,6,6a]C[5,5,6])2(C[3x6a]C[5,6a,6a]C[3x6a])	C[5,6,6a](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6a,6a]C[5,6,6a]C[3x6a]){1|Cl<1>,8|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,5,6])(C[6,6a,6a]C[5,6,6a]C[3x6a]){1|Cl<1>,2|C<4>,7|C<3>}	C[5,6a,6a](C[5,6,6a]C[6,6,6a]C[5,5,6])2(C[3x6a]C[5,6a,6a]C[3x6a]){2|Cl<1>,1|C<4>,7|C<3>}	120.4840	0.160	2	120.4840	0.026	2	120.4840	0.026	2	121.4542	0.906	9	120.8377	0.663	62	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6,6a]	C[5,6a,6a]	3:4:3:	3:3:3:	3:3:3:	C[6,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5,6,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,6,6a](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6a,6a]C[5,6a,6a]2)	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6a](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6]){2|C<4>,8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6a]C[6,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	122.3060	0.400	4	122.3060	0.160	4	122.3060	0.160	4	121.4542	0.906	9	120.8377	0.663	62	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6,6a]	C[5,6a,6a]	3:4:3:	3:3:4:	3:3:3:	C[5,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6a,6a]-3:	C[5,6,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[6,6,6a]C[3x6])	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[3x6]C[6,6,6a]C[3x6]Cl)	C[5,6a,6a](C[5,6,6a]C[6,6,6a]C[5,6,6])2(C[6,6a,6a]C[6,6,6a]2)	C[5,6,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[6,6,6a]C[3x6]){2|Cl<1>,1|C<4>,7|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[3x6]C[6,6,6a]C[3x6]Cl){1|Cl<1>,3|C<4>,6|C<3>}	C[5,6a,6a](C[5,6,6a]C[6,6,6a]C[5,6,6])2(C[6,6a,6a]C[6,6,6a]2){2|Cl<1>,4|C<3>,4|C<4>}	118.9800	0.000	1	118.9800	0.000	1	118.9800	0.000	1	120.5198	0.678	15	120.8377	0.663	62	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6,6a]	C[5,6a,6a]	3:4:3:	3:3:4:	3:3:3:	C[5,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[6,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){3|C<4>,8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[6,6,6a]C[5,6,6]){4|C<4>,5|C<3>}	120.1540	0.129	2	120.1540	0.017	2	120.1540	0.017	2	120.5198	0.678	15	120.8377	0.663	62	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6,6a]	C[5,6a,6a]	3:4:3:	3:3:4:	3:3:3:	C[5,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[6,6a,6a]-3:	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[6,6a,6a]C[6,6,6a]2)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){3|C<4>,8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[6,6a,6a]C[6,6,6a]2){3|C<4>,6|C<3>}	120.5255	0.434	4	120.5255	0.189	4	120.5255	0.189	4	120.5198	0.678	15	120.8377	0.663	62	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6,6a]	C[5,6a,6a]	3:4:3:	3:3:4:	3:3:3:	C[5,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6,6a]-3:	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){3|C<4>,8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6]){3|C<4>,6|C<3>}	120.8530	0.000	1	120.8530	0.000	1	121.1475	0.173	2	120.5198	0.678	15	120.8377	0.663	62	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6,6a]	C[5,6a,6a]	3:4:3:	3:3:4:	3:3:3:	C[5,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6,6a]-3:	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2Cl)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6]){1|Cl<1>,1|C<4>,7|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2Cl){2|Cl<1>,1|C<4>,8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6]){1|Cl<1>,2|C<4>,6|C<3>}	121.4420	0.000	1	121.4420	0.000	1	121.1475	0.173	2	120.5198	0.678	15	120.8377	0.663	62	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6,6a]	C[5,6a,6a]	3:4:3:	3:3:4:	3:3:3:	C[5,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5a,6a,6a]-3:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|Cl<1>,2|C<4>,8|C<3>}	C[5,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	120.6360	0.000	1	120.6360	0.000	1	120.6360	0.000	1	120.5198	0.678	15	120.8377	0.663	62	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6,6a]	C[5,6a,6a]	3:4:3:	3:3:4:	3:3:3:	C[5,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2Cl)	C[5,6a,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6]){2|Cl<1>,1|C<4>,7|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2Cl){2|Cl<1>,2|C<4>,7|C<3>}	C[5,6a,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[6,6,6a]C[5,6,6]){2|Cl<1>,3|C<4>,5|C<3>}	119.7510	0.089	2	119.7510	0.008	2	119.7510	0.008	2	120.5198	0.678	15	120.8377	0.663	62	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6,6a]	C[5,6a,6a]	3:4:3:	3:3:4:	3:3:3:	C[5,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5a,6a,6a]-3:	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6a,6a]C[5,6,6])	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6a,6a]C[5,6,6]){1|C<4>,8|C<3>}	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[5a,6a,6a]C[5a,6a,6a]2){2|C<4>,7|C<3>}	121.9195	0.204	2	121.9195	0.042	2	121.9195	0.042	2	120.5198	0.678	15	120.8377	0.663	62	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6,6a]	C[5,6a,6a]	3:4:3:	3:3:4:	3:3:3:	C[6,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,6,6a](C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[3x6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6a](C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[3x6]C)(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,7|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C){3|C<4>,8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6a]C[6,6,6a]C[5,6,6]){3|C<4>,6|C<3>}	120.1350	0.000	1	120.1350	0.000	1	120.1350	0.000	1	120.5198	0.678	15	120.8377	0.663	62	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6,6a]	C[5,6a,6a]	3:4:3:	4:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[6,6,6a]-3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6a,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6]){1|Cl<1>,2|C<4>,6|C<3>}	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6]){3|Cl<1>,1|C<4>,8|C<3>}	C[5,6a,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a]){1|Cl<1>,2|C<4>,6|C<3>}	120.2615	0.305	2	120.2615	0.093	2	120.2615	0.093	2	120.2615	0.093	2	120.8377	0.663	62	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6,6a]	C[5,6a,6a]	4:3:3:	3:3:3:	3:3:3:	C[5,6,6]-4:C[5,6a,6a]-3:C[6,6,6a]-3:	C[6,6,6a]-3:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[3x6a]-3:	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5a,6,6]C)(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])	C[6,6,6a](C[6,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])2	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5a,6,6]C)(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a]){1|C<4>,7|C<3>}	C[6,6,6a](C[6,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])2{2|C<4>,9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[3x6a]C[5,6a,6a]C[3x6a]){1|C<4>,8|C<3>}	121.0810	0.000	1	121.0810	0.000	1	121.0810	0.000	1	121.0810	0.000	1	120.8377	0.663	62	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6,6a]	C[5,6a,6a]	4:3:3:	3:3:4:	3:3:3:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[6,6,6a]-3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[6,6]-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5a,6a,6a]-3:	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6a])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6])	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,5,6,6]C[5,6a,6a])(C[6,6]C[5,6]C[6,6]H)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,5,6,6]C[6,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6a])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6]){10|C<3>,1|C<4>,1|H<1>}	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,5,6,6]C[5,6a,6a])(C[6,6]C[5,6]C[6,6]H){10|C<3>,1|C<4>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,5,6,6]C[6,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2){2|C<4>,7|C<3>}	122.7120	0.000	1	122.7120	0.000	1	122.7120	0.000	1	120.7502	0.548	27	120.8377	0.663	62	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6,6a]	C[5,6a,6a]	4:3:3:	3:3:4:	3:3:3:	C[5,5,6]-4:C[5,6a,6a]-3:C[6,6,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[3x6a]-3:	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,5,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2Cl)	C[5,6a,6a](C[5,6,6a]C[6,6,6a]C[5,5,6])2(C[3x6a]C[5,6a,6a]C[3x6a])	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[6,6,6a]C[5,6,6a]C[5,6,6]){2|Cl<1>,1|C<4>,7|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,5,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2Cl){2|Cl<1>,1|C<4>,8|C<3>}	C[5,6a,6a](C[5,6,6a]C[6,6,6a]C[5,5,6])2(C[3x6a]C[5,6a,6a]C[3x6a]){2|Cl<1>,1|C<4>,7|C<3>}	121.8055	0.442	2	121.8055	0.195	2	121.5040	0.370	3	120.7502	0.548	27	120.8377	0.663	62	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6,6a]	C[5,6a,6a]	4:3:3:	3:3:4:	3:3:3:	C[5,5,6]-4:C[5,6a,6a]-3:C[6,6,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[3x6a]-3:	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,5,6])2(C[5,6,6]C[5,6,6a]2Cl)	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[5,6,6a]C[6,6,6a]C[5,5,6])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[6,6,6a]C[5,6,6a]C[5,6,6]){2|Cl<1>,1|C<4>,7|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,5,6])2(C[5,6,6]C[5,6,6a]2Cl){2|Cl<1>,2|C<4>,7|C<3>}	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[5,6,6a]C[6,6,6a]C[5,5,6])(C[3x6a]C[5,6a,6a]C[3x6a]){2|Cl<1>,2|C<4>,6|C<3>}	120.9010	0.000	1	120.9010	0.000	1	121.5040	0.370	3	120.7502	0.548	27	120.8377	0.663	62	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6,6a]	C[5,6a,6a]	4:3:3:	3:3:4:	3:3:3:	C[5,6,6]-4:C[5,6a,6a]-3:C[6,6,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[3x6a]-3:	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,5,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2Cl)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[6,6,6a]C[5,6,6a]C[5,6,6]){1|Cl<1>,1|C<4>,7|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,5,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2Cl){2|Cl<1>,1|C<4>,8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[3x6a]C[5,6a,6a]C[3x6a]){1|Cl<1>,1|C<4>,7|C<3>}	121.4375	0.295	2	121.4375	0.087	2	121.4375	0.087	2	120.7502	0.548	27	120.8377	0.663	62	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6,6a]	C[5,6a,6a]	4:3:3:	3:3:4:	3:3:3:	C[5,6,6]-4:C[5,6a,6a]-3:C[6,6,6a]-3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[3x6a]-3:	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6a,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[3x6a]C[6,6a,6a]C[3x6a])	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[6,6,6a]C[6,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C){3|C<4>,8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[3x6a]C[6,6a,6a]C[3x6a]){2|C<4>,7|C<3>}	120.4620	0.000	1	120.4620	0.000	1	120.5895	0.033	2	120.7502	0.548	27	120.8377	0.663	62	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6,6a]	C[5,6a,6a]	4:3:3:	3:3:4:	3:3:3:	C[5,6,6]-4:C[5,6a,6a]-3:C[6,6,6a]-3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[3x6a]-3:	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2Cl)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[3x6a]C[6,6a,6a]C[3x6a])	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[6,6,6a]C[6,6,6a]C[5,6,6]){1|Cl<1>,1|C<4>,7|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2Cl){2|Cl<1>,1|C<4>,8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[3x6a]C[6,6a,6a]C[3x6a]){1|Cl<1>,1|C<4>,7|C<3>}	120.7170	0.000	1	120.7170	0.000	1	120.5895	0.033	2	120.7502	0.548	27	120.8377	0.663	62	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6,6a]	C[5,6a,6a]	4:3:3:	3:3:4:	3:3:3:	C[5,6,6]-4:C[6,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,5,6a]C[5,5,6])(C[5,6,6]C[5,6,6a]2Cl)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,5,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,1|C<4>,7|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,5,6a]C[5,5,6])(C[5,6,6]C[5,6,6a]2Cl){2|Cl<1>,2|C<4>,7|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,5,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6]){1|Cl<1>,2|C<4>,6|C<3>}	120.4900	0.000	1	120.4900	0.000	1	120.4900	0.000	1	120.7502	0.548	27	120.8377	0.663	62	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6,6a]	C[5,6a,6a]	4:3:3:	3:3:4:	3:3:3:	C[5,6,6]-4:C[6,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]2)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,7|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){3|C<4>,8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]2){3|C<4>,6|C<3>}	119.7000	0.378	2	119.7000	0.143	2	119.7000	0.143	2	120.7502	0.548	27	120.8377	0.663	62	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6,6a]	C[5,6a,6a]	4:3:3:	3:3:4:	3:3:3:	C[5,6,6]-4:C[6,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,7|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){3|C<4>,8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6a]C[6,6,6a]C[5,6,6]){3|C<4>,6|C<3>}	120.4501	0.141	8	120.4501	0.020	8	120.3838	0.178	12	120.7502	0.548	27	120.8377	0.663	62	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6,6a]	C[5,6a,6a]	4:3:3:	3:3:4:	3:3:3:	C[5,6,6]-4:C[6,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2Cl)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,1|C<4>,7|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2Cl){2|Cl<1>,1|C<4>,8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6]){1|Cl<1>,2|C<4>,6|C<3>}	120.2512	0.756	4	120.2512	0.571	4	120.3838	0.178	12	120.7502	0.548	27	120.8377	0.663	62	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6,6a]	C[5,6a,6a]	4:3:3:	3:3:4:	3:3:3:	C[5,6,6]-4:C[6,6,6a]-3:C[5,6a,6a]-3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,7|C<3>}	121.2830	0.000	1	121.2830	0.000	1	121.2935	0.000	2	120.7502	0.548	27	120.8377	0.663	62	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6,6a]	C[5,6a,6a]	4:3:3:	3:3:4:	3:3:3:	C[5,6,6]-4:C[6,6,6a]-3:C[5,6a,6a]-3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,7|C<3>}	121.3040	0.000	1	121.3040	0.000	1	121.2935	0.000	2	120.7502	0.548	27	120.8377	0.663	62	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6,6a]	C[5,6a,6a]	4:3:3:	3:3:4:	3:3:3:	C[5,6,6]-4:C[6,6,6a]-3:C[5,6a,6a]-3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6a]C[6,6,6a]C[5,6,6]){3|C<4>,6|C<3>}	120.6510	0.000	1	120.6510	0.000	1	120.9470	0.175	2	120.7502	0.548	27	120.8377	0.663	62	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6,6a]	C[5,6a,6a]	4:3:3:	3:3:4:	3:3:3:	C[5,6,6]-4:C[6,6,6a]-3:C[5,6a,6a]-3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C){2|C<4>,8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6a]C[6,6,6a]C[5,6,6]){3|C<4>,6|C<3>}	121.2430	0.000	1	121.2430	0.000	1	120.9470	0.175	2	120.7502	0.548	27	120.8377	0.663	62	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6,6a]	C[5,6a,6a]	4:3:3:	3:4:3:	3:3:3:	C[5,6,6]-4:C[6,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[5,6,6])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,7|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[5,6,6]){3|C<4>,8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6a]C[6,6,6a]C[5,6,6]){3|C<4>,6|C<3>}	119.9030	0.000	1	119.9030	0.000	1	119.9030	0.000	1	120.8807	0.887	3	120.8377	0.663	62	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6,6a]	C[5,6a,6a]	4:3:3:	3:4:3:	3:3:3:	C[5,6,6]-4:C[6,6,6a]-3:C[5,6a,6a]-3:	C[6,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,1|C<4>,7|C<3>}	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|Cl<1>,1|C<4>,8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,1|C<4>,7|C<3>}	121.7820	0.000	1	121.3695	0.340	2	121.3695	0.340	2	120.8807	0.887	3	120.8377	0.663	62	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6,6a]	C[5,6a,6a]	4:3:3:	3:4:3:	3:3:3:	C[5,6,6]-4:C[6,6,6a]-3:C[5,6a,6a]-3:	C[6,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,1|C<4>,7|C<3>}	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6]){2|Cl<1>,1|C<4>,8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,1|C<4>,7|C<3>}	120.9570	0.000	1	121.3695	0.340	2	121.3695	0.340	2	120.8807	0.887	3	120.8377	0.663	62	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a,6a]	C[5,5,6a]	3:3:4:	3:3:3:	3:3:4:	C[6,6a,6a]-3:C[5,5,6a]-3:C[5,6,6]-4:	C[6,6a,6a]-3:C[5,6,6a]-3:C[3x6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6]-4:	C[5,6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[5,5,6a]C[5,6,6a]C[5,5,6])(C[5,6,6]C[5,6,6]2Cl)	C[6,6a,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,5,6a]C[5,6,6])(C[3x6a]C[6,6a,6a]C[3x6a])	C[5,5,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])2(C[5,5,6]C[5,6,6]2Cl)	C[5,6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[5,5,6a]C[5,6,6a]C[5,5,6])(C[5,6,6]C[5,6,6]2Cl){3|Cl<1>,3|C<4>,5|C<3>}	C[6,6a,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,5,6a]C[5,6,6])(C[3x6a]C[6,6a,6a]C[3x6a]){1|Cl<1>,3|C<4>,6|C<3>}	C[5,5,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])2(C[5,5,6]C[5,6,6]2Cl){4|Cl<1>,2|C<4>,5|C<3>}	118.2590	0.000	1	118.2590	0.000	1	118.2590	0.000	1	118.2590	0.000	1	118.2590	0.000	1	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:C[6,6a,6a]-3:C[5,6,6a]-3:	C[6,6,6a]-3:C[3x6a]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6a,6a]C[6,6,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]2)	C[6,6a,6a](C[6,6,6a]C[6,6,6a]C[5,6,6])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]2)	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])2	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6a,6a]C[6,6,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]2){2|C<4>,7|C<3>}	C[6,6a,6a](C[6,6,6a]C[6,6,6a]C[5,6,6])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]2){3|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])2{4|C<4>,6|C<3>}	120.8480	0.000	1	120.8480	0.000	1	120.8480	0.000	1	121.0019	1.863	9	121.3924	1.136	35	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[6,6a,6a]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:	C[5,6,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])	C[6,6a,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6a,6a]C[5,6,6a]2)(C[5,6,6a]C[5,6,6a]2)	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6]){3|C<4>,6|C<3>}	C[6,6a,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6a,6a]C[5,6,6a]2)(C[5,6,6a]C[5,6,6a]2){3|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6]){4|C<4>,6|C<3>}	118.5680	0.000	1	118.5680	0.000	1	118.5680	0.000	1	121.0019	1.863	9	121.3924	1.136	35	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6a,6a]-3:C[6,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)	C[6,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2){2|C<4>,7|C<3>}	C[6,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2){4|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6]){3|C<4>,7|C<3>}	121.0570	0.000	1	121.0570	0.000	1	121.0570	0.000	1	121.0019	1.863	9	121.3924	1.136	35	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6,6a]-3:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)	C[6,6a,6a](C[6,6a,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])	C[5,6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2){3|C<4>,6|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2){4|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6]){3|C<4>,7|C<3>}	120.7560	0.000	1	120.7560	0.000	1	120.6685	0.015	2	121.0019	1.863	9	121.3924	1.136	35	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6,6a]-3:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)	C[6,6a,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])2	C[5,6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2){2|C<4>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2){4|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])2{4|C<4>,6|C<3>}	120.5810	0.000	1	120.5810	0.000	1	120.6685	0.015	2	121.0019	1.863	9	121.3924	1.136	35	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])	C[6,6a,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a]){1|C<4>,7|C<3>}	C[6,6a,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	120.7350	0.000	1	120.7350	0.000	1	120.7350	0.000	1	121.0019	1.863	9	121.3924	1.136	35	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])	C[6,6a,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a]){1|C<4>,7|C<3>}	C[6,6a,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|C<4>,8|C<3>}	120.4270	0.000	1	120.4270	0.000	1	120.4270	0.000	1	121.0019	1.863	9	121.3924	1.136	35	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6a]-3:	C[5,6,6a]-3:C[6,6,6a]-3:C[6a,6a]-3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[6,6a]-3:	C[5,6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[5,6,6a]C[5,6a,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])	C[6,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6a])(C[6,6,6a]C[6,6a]B[6,6])(C[6a,6a]C[6a]2)	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6a])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6,6a]B[6,6]C[6a])	C[5,6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[5,6,6a]C[5,6a,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a]){1|B<4>,1|H<1>,6|C<3>}	C[6,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6a])(C[6,6,6a]C[6,6a]B[6,6])(C[6a,6a]C[6a]2){1|N<3>,2|H<1>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6a])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6,6a]B[6,6]C[6a]){1|H<1>,1|N<3>,7|C<3>}	123.0225	0.381	2	123.0225	0.145	2	123.0225	0.145	2	121.0019	1.863	9	121.3924	1.136	35	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6,6a]-3:C[6,6a,6a]-3:C[5,6,6a]-3:	C[6,6,6a]-3:C[3x6a]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[6,6a,6a]-3:	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6a,6a]C[6,6,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]2)	C[6,6a,6a](C[6,6,6a]C[6,6,6a]C[5,6,6])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]2)	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6a,6a]C[6,6a,6a]C[3x6a])	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6a,6a]C[6,6,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]2){2|C<4>,7|C<3>}	C[6,6a,6a](C[6,6,6a]C[6,6,6a]C[5,6,6])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]2){3|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6a,6a]C[6,6a,6a]C[3x6a]){8|C<3>}	121.3020	0.000	1	121.3020	0.000	1	121.3020	0.000	1	121.8204	0.598	5	121.3924	1.136	35	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:4:3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[6,6a,6a]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])	C[6,6a,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6a,6a]C[5,6,6a]2)(C[5,6,6a]C[5,6,6a]2)	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])	C[5,6,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6]){3|C<4>,6|C<3>}	C[6,6a,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6a,6a]C[5,6,6a]2)(C[5,6,6a]C[5,6,6a]2){3|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6,6a]C[5,6,6]){1|C<4>,8|C<3>}	123.1910	0.000	1	123.1910	0.000	1	123.1910	0.000	1	121.8204	0.598	5	121.3924	1.136	35	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:4:3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6a,6a]-3:C[6,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)	C[6,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[3x6])	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2){2|C<4>,7|C<3>}	C[6,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2){4|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[3x6]){2|C<4>,6|C<3>}	121.4940	0.000	1	121.4940	0.000	1	121.4940	0.000	1	121.8204	0.598	5	121.3924	1.136	35	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:4:3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6,6a]-3:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)	C[6,6a,6a](C[6,6a,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2){3|C<4>,6|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2){4|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	121.5310	0.000	1	121.5310	0.000	1	121.5310	0.000	1	121.8204	0.598	5	121.3924	1.136	35	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:4:3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6,6a]-3:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[6,6a,6a]-3:	C[5,6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)	C[6,6a,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6a,6a]C[6,6a,6a]2)	C[5,6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2){2|C<4>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2){4|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6a,6a]C[6,6a,6a]2){8|C<3>}	121.5840	0.000	1	121.5840	0.000	1	121.5840	0.000	1	121.8204	0.598	5	121.3924	1.136	35	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a,6a]	C[5,6,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[6,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[3x6])(C[5,6,6a]C[5,6,6a]2)	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|C<4>,7|C<3>}	C[6,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6]){4|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[3x6])(C[5,6,6a]C[5,6,6a]2){3|C<4>,6|C<3>}	120.4250	0.000	1	120.4250	0.000	1	120.4250	0.000	1	120.4250	0.000	1	121.3924	1.136	35	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a,6a]	C[5,6,6a]	3:3:4:	3:3:3:	3:3:4:	C[5,6,6a]-3:C[6,6a,6a]-3:C[5,6,6]-4:	C[6,6a,6a]-3:C[5,6,6a]-3:C[6,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6a,6a]C[6,6a,6a]2)(C[5,6,6]C[5,6,6]2Cl)	C[6,6a,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6a,6a]C[5,6,6a]C[3x6a])	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl)	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6a,6a]C[6,6a,6a]2)(C[5,6,6]C[5,6,6]2Cl){3|Cl<1>,2|C<4>,6|C<3>}	C[6,6a,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6a,6a]C[5,6,6a]C[3x6a]){1|Cl<1>,4|C<4>,5|C<3>}	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl){3|Cl<1>,4|C<3>,4|C<4>}	119.9990	0.000	1	120.1520	0.047	2	120.1520	0.047	2	120.3070	0.095	3	121.3924	1.136	35	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a,6a]	C[5,6,6a]	3:3:4:	3:3:3:	3:3:4:	C[5,6,6a]-3:C[6,6a,6a]-3:C[5,6,6]-4:	C[6,6a,6a]-3:C[5,6,6a]-3:C[6,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6a,6a]C[6,6a,6a]2)(C[5,6,6]C[5,6,6]2Cl)	C[6,6a,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6a,6a]C[5,6,6a]C[3x6a])	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl)	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6a,6a]C[6,6a,6a]2)(C[5,6,6]C[5,6,6]2Cl){3|Cl<1>,3|C<4>,5|C<3>}	C[6,6a,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6a,6a]C[5,6,6a]C[3x6a]){1|Cl<1>,4|C<4>,5|C<3>}	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl){4|Cl<1>,4|C<3>,4|C<4>}	120.3050	0.000	1	120.1520	0.047	2	120.1520	0.047	2	120.3070	0.095	3	121.3924	1.136	35	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a,6a]	C[5,6,6a]	3:3:4:	3:3:3:	3:3:4:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[6,6a,6a]-3:C[5,6,6a]-3:C[3x6a]-3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl)	C[6,6a,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[3x6a]C[6,6a,6a]C[3x6a])	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl)	C[5,6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl){3|Cl<1>,3|C<4>,5|C<3>}	C[6,6a,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[3x6a]C[6,6a,6a]C[3x6a]){1|Cl<1>,3|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl){4|Cl<1>,3|C<4>,5|C<3>}	120.6170	0.000	1	120.6170	0.000	1	120.6170	0.000	1	120.3070	0.095	3	121.3924	1.136	35	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a,6a]	C[5,6,6a]	3:3:4:	3:3:3:	3:4:3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,5,6]-4:	C[5,6,6a]-3:C[6,6a,6a]-3:C[5,6a,6a]-3:	C[6,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,5,6]C[5,5,6]C[5,6,6]Cl)	C[6,6a,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6,6a,6a]C[6,6,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[6,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[6,6a,6a]C[5,5,6])	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,5,6]C[5,5,6]C[5,6,6]Cl){3|Cl<1>,8|C<3>}	C[6,6a,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6,6a,6a]C[6,6,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,3|C<4>,6|C<3>}	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[6,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[6,6a,6a]C[5,5,6]){2|Cl<1>,1|C<4>,7|C<3>}	122.0680	0.000	1	122.0680	0.000	1	122.0680	0.000	1	121.0057	0.971	3	121.3924	1.136	35	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a,6a]	C[5,6,6a]	3:3:4:	3:3:3:	3:4:3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,5,6]-4:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[6,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,5,6]C[5,5,6]2Cl)	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,5,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[6,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[6,6a,6a]C[5,5,6])	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,5,6]C[5,5,6]2Cl){2|Cl<1>,1|C<4>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,5,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,2|C<4>,7|C<3>}	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[6,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[6,6a,6a]C[5,5,6]){1|Cl<1>,1|C<4>,7|C<3>}	120.8280	0.000	1	120.4745	0.250	2	120.4745	0.250	2	121.0057	0.971	3	121.3924	1.136	35	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a,6a]	C[5,6,6a]	3:3:4:	3:3:3:	3:4:3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,5,6]-4:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[6,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,5,6]C[5,5,6]2Cl)	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,5,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[6,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[6,6a,6a]C[5,5,6])	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,5,6]C[5,5,6]2Cl){3|Cl<1>,8|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,5,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,3|C<4>,6|C<3>}	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[6,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[6,6a,6a]C[5,5,6]){2|Cl<1>,1|C<4>,7|C<3>}	120.1210	0.000	1	120.4745	0.250	2	120.4745	0.250	2	121.0057	0.971	3	121.3924	1.136	35	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a,6a]	C[5,6,6a]	3:4:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:C[5,6,6]-4:C[6,6a,6a]-3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[3x6a]-3:	C[5,6,6a]-3:C[6,6a,6a]-3:C[5,6,6a]-3:	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6a,6a]C[6,6a,6a]C[3x6a])	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[3x6a]C[6,6a,6a]C[3x6a])	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6a,6a]C[6,6,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]2)	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6a,6a]C[6,6a,6a]C[3x6a]){8|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[3x6a]C[6,6a,6a]C[3x6a]){1|C<4>,9|C<3>}	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6a,6a]C[6,6,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]2){2|C<4>,7|C<3>}	122.2940	0.000	1	122.2940	0.000	1	122.2940	0.000	1	122.1655	0.033	2	121.3924	1.136	35	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a,6a]	C[5,6,6a]	3:4:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:C[5,6,6]-4:C[6,6a,6a]-3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[6,6a,6a]-3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6a,6a]C[6,6a,6a]2)	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6a,6a]C[6,6a,6a]2)	C[5,6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6a,6a]C[6,6a,6a]2){8|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6a,6a]C[6,6a,6a]2){1|C<4>,9|C<3>}	C[5,6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2){2|C<4>,7|C<3>}	122.0370	0.000	1	122.0370	0.000	1	122.0370	0.000	1	122.1655	0.033	2	121.3924	1.136	35	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a,6a]	C[5,6,6a]	3:4:3:	3:3:3:	3:3:4:	C[6,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,5,6]-4:	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[6,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[6,6a,6a]C[5,5,6])	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,5,6]C[5,5,6]2Cl)	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[6,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[6,6a,6a]C[5,5,6]){1|Cl<1>,1|C<4>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,1|C<4>,8|C<3>}	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,5,6]C[5,5,6]2Cl){2|Cl<1>,1|C<4>,7|C<3>}	122.4210	0.000	1	122.4210	0.000	1	122.5773	1.135	3	122.5773	1.135	3	121.3924	1.136	35	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a,6a]	C[5,6,6a]	3:4:3:	3:3:3:	3:3:4:	C[6,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,5,6]-4:	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[6,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[6,6a,6a]C[5,5,6])	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,5,6]C[5,5,6]2Cl)	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[6,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[6,6a,6a]C[5,5,6]){2|Cl<1>,1|C<4>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,2|C<4>,7|C<3>}	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,5,6]C[5,5,6]2Cl){3|Cl<1>,8|C<3>}	123.7120	0.000	1	123.7120	0.000	1	122.5773	1.135	3	122.5773	1.135	3	121.3924	1.136	35	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a,6a]	C[5,6,6a]	3:4:3:	3:3:3:	3:3:4:	C[6,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,5,6]-4:	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[6,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[6,6a,6a]C[5,5,6])	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,5,6]C[5,5,6]C[5,6,6]Cl)	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[6,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[6,6a,6a]C[5,5,6]){2|Cl<1>,1|C<4>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,2|C<4>,7|C<3>}	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,5,6]C[5,5,6]C[5,6,6]Cl){3|Cl<1>,8|C<3>}	121.5990	0.000	1	121.5990	0.000	1	122.5773	1.135	3	122.5773	1.135	3	121.3924	1.136	35	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a,6a]	C[5,6,6a]	3:4:3:	3:3:3:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3x6a]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[6,6a,6a]-3:	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,5,6]C[5,5,6]C[5,6,6]Cl)(C[6,6a,6a]C[5,6,6a]C[3x6a])	C[6,6a,6a](C[5,6,6a]C[5,5,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,5,6])(C[3x6a]C[6,6a,6a]C[3x6a])	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,5,6])(C[5,6,6]C[5,5,6]C[5,6,6]Cl)(C[6,6a,6a]C[6,6,6a]C[3x6a])	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,5,6]C[5,5,6]C[5,6,6]Cl)(C[6,6a,6a]C[5,6,6a]C[3x6a]){3|Cl<1>,2|C<4>,6|C<3>}	C[6,6a,6a](C[5,6,6a]C[5,5,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,5,6])(C[3x6a]C[6,6a,6a]C[3x6a]){2|Cl<1>,4|C<3>,5|C<4>}	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,5,6])(C[5,6,6]C[5,5,6]C[5,6,6]Cl)(C[6,6a,6a]C[6,6,6a]C[3x6a]){3|Cl<1>,2|C<4>,6|C<3>}	120.9940	0.000	1	120.9940	0.000	1	120.9940	0.000	1	121.2022	0.210	4	121.3924	1.136	35	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a,6a]	C[5,6,6a]	3:4:3:	3:3:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6]-4:C[6,6a,6a]-3:	C[5,6,6a]-3:C[6,6,6a]-3:C[3x6a]-3:	C[5,6,6a]-3:C[5,5,6]-4:C[6,6a,6a]-3:	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,5,6])(C[5,6,6]C[5,5,6]C[5,6,6]Cl)(C[6,6a,6a]C[6,6,6a]C[3x6a])	C[6,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[3x6a]C[6,6a,6a]C[3x6a])	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,5,6]C[5,5,6]C[5,6,6]Cl)(C[6,6a,6a]C[5,6,6a]C[3x6a])	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,5,6])(C[5,6,6]C[5,5,6]C[5,6,6]Cl)(C[6,6a,6a]C[6,6,6a]C[3x6a]){3|Cl<1>,2|C<4>,6|C<3>}	C[6,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[3x6a]C[6,6a,6a]C[3x6a]){2|Cl<1>,4|C<3>,5|C<4>}	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,5,6]C[5,5,6]C[5,6,6]Cl)(C[6,6a,6a]C[5,6,6a]C[3x6a]){3|Cl<1>,2|C<4>,6|C<3>}	121.8870	0.000	1	121.8870	0.000	1	121.8870	0.000	1	121.2022	0.210	4	121.3924	1.136	35	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a,6a]	C[5,6,6a]	3:4:3:	3:3:3:	3:4:3:	C[6,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:	C[5,6,6a]-3:C[5,5,6]-4:C[6,6,6a]-3:	C[5,6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6a]C[6,6,6a]C[5,5,6])	C[6,6a,6a](C[6,6a,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,5,6]C[5,5,6]C[5,6,6]Cl)(C[6,6,6a]C[6,6,6a]C[3x6])	C[5,6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6a]C[6,6,6a]C[5,5,6]){3|Cl<1>,3|C<4>,5|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6]){2|Cl<1>,2|C<3>,7|C<4>}	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,5,6]C[5,5,6]C[5,6,6]Cl)(C[6,6,6a]C[6,6,6a]C[3x6]){3|Cl<1>,4|C<3>,4|C<4>}	120.9140	0.000	1	120.9140	0.000	1	120.9640	0.005	2	121.2022	0.210	4	121.3924	1.136	35	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a,6a]	C[5,6,6a]	3:4:3:	3:3:3:	3:4:3:	C[6,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:	C[5,6,6a]-3:C[5,5,6]-4:C[6,6,6a]-3:	C[5,6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6a]C[6,6,6a]C[5,5,6])	C[6,6a,6a](C[6,6a,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,5,6]C[5,5,6]C[5,6,6]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6a]C[6,6,6a]C[5,5,6]){3|Cl<1>,3|C<4>,5|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6]){2|Cl<1>,3|C<3>,6|C<4>}	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,5,6]C[5,5,6]C[5,6,6]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6]){4|Cl<1>,4|C<3>,4|C<4>}	121.0140	0.000	1	121.0140	0.000	1	120.9640	0.005	2	121.2022	0.210	4	121.3924	1.136	35	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a,6a]	C[5,6,6a]	4:3:3:	3:3:3:	3:4:3:	C[5,6,6]-4:C[5,6,6a]-3:C[6,6a,6a]-3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[6,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[6,6a,6a]C[6,6a,6a]2)	C[6,6a,6a](C[6,6a,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6a,6a]C[6,6a,6a]2)	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[6,6a,6a]C[6,6a,6a]2){2|C<4>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6a,6a]C[6,6a,6a]2){3|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[6,6,6a]C[5,6,6]){3|C<4>,7|C<3>}	122.7380	0.000	1	122.7380	0.000	1	122.7380	0.000	1	122.7380	0.000	1	121.3924	1.136	35	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a,6a]	C[5,6,6a]	4:3:3:	3:3:3:	4:3:3:	C[5,6,6]-4:C[5,6,6a]-3:C[6,6a,6a]-3:	C[6,6a,6a]-3:C[6,6a,6a]-3:C[5,6,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[6,6,6a]-3:	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[6,6a,6a]C[6,6a,6a]2)	C[6,6a,6a](C[6,6a,6a]C[5,6,6a]C[6,6,6a])(C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[6,6a,6a]C[6,6a,6a]2){1|Cl<1>,1|C<4>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6,6a]C[6,6,6a])(C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]C[5,6,6]){1|Cl<1>,3|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6]){2|Cl<1>,1|C<4>,7|C<3>}	121.2745	0.262	2	121.2745	0.069	2	121.2745	0.069	2	121.6602	0.470	4	121.3924	1.136	35	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a,6a]	C[5,6,6a]	4:3:3:	3:3:3:	4:3:3:	C[5,6,6]-4:C[6,6a,6a]-3:C[5,6,6a]-3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[3x6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[6,6a,6a]C[5,6,6])	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]C[5,6,6]){1|Cl<1>,1|C<4>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[3x6a]C[5,6a,6a]C[3x6a]){1|Cl<1>,1|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[6,6a,6a]C[5,6,6]){2|Cl<1>,8|C<3>}	122.0460	0.864	2	122.0460	0.747	2	122.0460	0.747	2	121.6602	0.470	4	121.3924	1.136	35	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[3x6a]-3:	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])	C[6,6a,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a]){1|C<4>,7|C<3>}	C[6,6a,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	121.6820	0.133	2	121.6820	0.018	2	121.6820	0.018	2	121.8507	0.094	3	121.3952	0.523	12	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:C[5,6a,6a]-3:C[5,6,6]-3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5a,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3x6a]-3:	C[5,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[5,6,6]C[5,6,6]2)	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5,6a,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[5,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[5,6,6]C[5,6,6]2){2|C<4>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5a,6a,6a]C[5a,6a,6a]2){1|C<4>,8|C<3>}	C[5,6a,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[3x6a]C[5a,6a,6a]C[3x6a]){2|C<4>,6|C<3>}	122.1880	0.000	1	122.1880	0.000	1	122.1880	0.000	1	121.8507	0.094	3	121.3952	0.523	12	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a,6a]	C[5,6a,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6,6]-4:	C[6,6a,6a]-3:C[5,6,6a]-3:C[3x6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6a,6a]-3:	C[5,6,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[5,6,6]C[6,6,6a]C[5,6,6]C)	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[3x6a]C[6,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6a,6a]C[6,6a,6a]2)	C[5,6,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[5,6,6]C[6,6,6a]C[5,6,6]C){8|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[3x6a]C[6,6a,6a]C[3x6a]){1|C<4>,9|C<3>}	C[5,6a,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6a,6a]C[6,6a,6a]2){2|C<4>,7|C<3>}	121.5120	0.000	1	121.5120	0.000	1	121.5120	0.000	1	121.3603	0.450	3	121.3952	0.523	12	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a,6a]	C[5,6a,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6,6]-4:	C[6,6a,6a]-3:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6,6a]-3:	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6])	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C){8|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6]){2|C<4>,8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6]){2|C<4>,7|C<3>}	121.9420	0.000	1	121.9420	0.000	1	121.9420	0.000	1	121.3603	0.450	3	121.3952	0.523	12	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a,6a]	C[5,6a,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a,6a]-3:C[5,6a,6a]-3:C[5,6,6]-4:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[3x6a]-3:	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){8|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[3x6a]C[5,6a,6a]C[3x6a]){1|C<4>,8|C<3>}	120.6270	0.000	1	120.6270	0.000	1	120.6270	0.000	1	121.3603	0.450	3	121.3952	0.523	12	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a,6a]	C[5,6a,6a]	3:4:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,5,6]-4:C[6,6a,6a]-3:	C[5,6,6a]-3:C[6,6,6a]-3:C[3x6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5a,6a,6a]-3:	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[6,6a,6a]C[6,6,6a]C[3x6a])	C[6,6a,6a](C[5,6,6a]C[5,6a,6a]C[5,5,6])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6,6a]C[6,6a,6a]C[5,5,6])(C[5,6,6a]C[5,6,6a]C[5,5,6])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[6,6a,6a]C[6,6,6a]C[3x6a]){1|Cl<1>,8|C<3>}	C[6,6a,6a](C[5,6,6a]C[5,6a,6a]C[5,5,6])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){1|Cl<1>,2|C<4>,7|C<3>}	C[5,6a,6a](C[5,6,6a]C[6,6a,6a]C[5,5,6])(C[5,6,6a]C[5,6,6a]C[5,5,6])(C[5a,6a,6a]C[5a,6a,6a]2){2|Cl<1>,1|C<4>,7|C<3>}	121.9620	0.382	2	121.9620	0.146	2	121.9620	0.146	2	121.1850	0.754	6	121.3952	0.523	12	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a,6a]	C[5,6a,6a]	3:4:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6a]-3:C[6,6a,6a]-3:C[5,6,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,6,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6a,6a]C[5,6a,6a]2)	C[6,6a,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6a,6a]C[5,6,6a]2)(C[5,6,6a]C[5,6,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6])	C[5,6,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	C[6,6a,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6a,6a]C[5,6,6a]2)(C[5,6,6a]C[5,6,6a]2){3|C<4>,7|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6]){2|C<4>,7|C<3>}	121.3230	0.000	1	121.3230	0.000	1	121.3230	0.000	1	121.1850	0.754	6	121.3952	0.523	12	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a,6a]	C[5,6a,6a]	3:4:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[3x6a]-3:	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]O)(C[5,6a,6a]C[5,6a,6a]C[3x6a])	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]O)(C[5,6a,6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|O<2>,9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[3x6a]C[5,6a,6a]C[3x6a]){1|O<2>,8|C<3>}	121.5900	0.000	1	121.5900	0.000	1	121.5900	0.000	1	121.1850	0.754	6	121.3952	0.523	12	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a,6a]	C[5,6a,6a]	3:4:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[3x6a]-3:	C[5,6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6a,6a]C[5,6a,6a]C[3x6a])	C[6,6a,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6a,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[3x6a]C[6,6a,6a]C[3x6a])	C[5,6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6a,6a]C[5,6a,6a]C[3x6a]){1|C<4>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6]){2|Cl<1>,2|C<4>,7|C<3>}	C[5,6a,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[3x6a]C[6,6a,6a]C[3x6a]){1|Cl<1>,8|C<3>}	120.1365	0.189	2	120.1365	0.036	2	120.1365	0.036	2	121.1850	0.754	6	121.3952	0.523	12	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6a]-3:	C[5,6,6a]-3:C[6,6,6a]-3:C[6a,6a]-3:	C[5,6,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[5,6,6a]C[5,6a,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])	C[6,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6a])(C[6,6,6a]C[6,6a]B[6,6])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[5,6,6a]C[5,6a,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a]){1|B<4>,1|H<1>,6|C<3>}	C[6,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6a])(C[6,6,6a]C[6,6a]B[6,6])(C[6a,6a]C[6a]2){1|N<3>,2|H<1>,7|C<3>}	C[5,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	125.4830	0.494	2	125.4830	0.244	2	125.4830	0.244	2	125.4830	0.244	2	125.4830	0.244	2	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6a,6a]-3:C[6]-2:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6a]C[6a,6a]C[6])	C[6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6a,6a]C[5a,6a,6a]C[6,6a])(C[6]C[5,6])	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6a]C[6a,6a]C[6]){7|C<3>}	C[6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6a,6a]C[5a,6a,6a]C[6,6a])(C[6]C[5,6]){1|C<2>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<2>,7|C<3>}	117.5550	0.125	3	117.5550	0.016	3	117.5550	0.016	3	117.5318	0.013	4	120.6488	5.622	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6a,6a]-3:C[6]-2:	C[5a,6,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[6,6a]C[6a,6a]C[6])	C[6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6a,6a]C[5a,6a,6a]C[6,6a])(C[6]C[5a,6])	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6])(C[5,6,6a]C[5,6a,6a]C[6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[6,6a]C[6a,6a]C[6]){7|C<3>}	C[6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6a,6a]C[5a,6a,6a]C[6,6a])(C[6]C[5a,6]){1|C<2>,7|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6])(C[5,6,6a]C[5,6a,6a]C[6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<2>,7|C<3>}	117.4620	0.000	1	117.4620	0.000	1	117.4620	0.000	1	117.5318	0.013	4	120.6488	5.622	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]In[5]C[6])	C[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]In[5]C[6])	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]In[5]C[6]){1|O<3>,3|H<1>,3|O<2>,4|C<3>}	C[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|In<6>,1|N<3>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]In[5]C[6]){1|O<3>,3|H<1>,3|O<2>,4|C<3>}	119.2562	1.744	4	119.2562	3.040	4	120.1020	1.680	10	120.0340	1.048	34	120.6488	5.622	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6])	C[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6])	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6]){2|N<2>,2|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Si<6>,1|N<3>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6]){2|N<2>,2|N<3>,3|H<1>,4|C<3>}	120.7465	0.146	2	120.6658	0.247	6	120.1020	1.680	10	120.0340	1.048	34	120.6488	5.622	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6])	C[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6])	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6]){3|H<1>,4|C<3>,4|N<2>}	C[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Si<6>,1|N<3>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6]){3|H<1>,4|C<3>,4|N<2>}	120.5920	1.090	2	120.6658	0.247	6	120.1020	1.680	10	120.0340	1.048	34	120.6488	5.622	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6])	C[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6])	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6]){4|Cl<1>,3|H<1>,4|C<3>}	C[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Si<6>,1|N<3>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6]){4|Cl<1>,3|H<1>,4|C<3>}	120.6590	0.033	2	120.6658	0.247	6	120.1020	1.680	10	120.0340	1.048	34	120.6488	5.622	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:N[5,6]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6,6a]-3:N[5,6]-3:C[6,6a]-3:	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6]Ga[5,5]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6]Ga[5,5]C[6])(C[6,6a]C[6a]C[6])	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6]Ga[5,5]C[6])(C[6,6a]C[6a]C[6]){1|N<3>,2|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ga<5>,1|N<3>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6]Ga[5,5]C[6])(C[6,6a]C[6a]C[6]){1|N<3>,2|O<2>,3|H<1>,4|C<3>}	120.1545	0.029	2	120.1065	0.021	4	120.1824	0.293	12	120.0340	1.048	34	120.6488	5.622	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:N[5,6]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6,6a]-3:N[5,6]-3:C[6,6a]-3:	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6]Ga[5,5]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6]Ga[5,5]C[6])(C[6,6a]C[6a]C[6])	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6]Ga[5,5]C[6])(C[6,6a]C[6a]C[6]){2|Cl<1>,2|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ga<6>,1|N<3>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6]Ga[5,5]C[6])(C[6,6a]C[6a]C[6]){2|Cl<1>,2|N<3>,3|H<1>,4|C<3>}	120.0585	0.227	2	120.1065	0.021	4	120.1824	0.293	12	120.0340	1.048	34	120.6488	5.622	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:N[5,6]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6,6a]-3:N[5,6]-3:C[6,6a]-3:	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6]Ga[5,6]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6]Ga[5,6]C[6])(C[6,6a]C[6a]C[6])	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6]Ga[5,6]C[6])(C[6,6a]C[6a]C[6]){1|O<3>,3|H<1>,3|O<2>,4|C<3>}	C[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ga<6>,1|N<3>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6]Ga[5,6]C[6])(C[6,6a]C[6a]C[6]){1|O<3>,3|H<1>,3|O<2>,4|C<3>}	120.1485	0.882	4	120.1485	0.779	4	120.1824	0.293	12	120.0340	1.048	34	120.6488	5.622	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:N[5,6]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6,6a]-3:N[5,6]-3:C[6,6a]-3:	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6]In[5,5]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6]In[5,5]C[6])(C[6,6a]C[6a]C[6])	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6]In[5,5]C[6])(C[6,6a]C[6a]C[6]){2|I<1>,2|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|In<6>,1|N<3>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6]In[5,5]C[6])(C[6,6a]C[6a]C[6]){2|I<1>,2|N<3>,3|H<1>,4|C<3>}	119.9180	0.429	2	119.9180	0.184	2	120.1824	0.293	12	120.0340	1.048	34	120.6488	5.622	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:N[5,6]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6,6a]-3:N[5,6]-3:C[6,6a]-3:	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6]In[5,6]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6]In[5,6]C[6])(C[6,6a]C[6a]C[6])	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6]In[5,6]C[6])(C[6,6a]C[6a]C[6]){1|Cl<1>,2|Se<2>,3|H<1>,4|C<3>}	C[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|In<5>,1|N<3>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6]In[5,6]C[6])(C[6,6a]C[6a]C[6]){1|Cl<1>,2|Se<2>,3|H<1>,4|C<3>}	120.6665	0.091	2	120.6665	0.008	2	120.1824	0.293	12	120.0340	1.048	34	120.6488	5.622	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6a,6a]-3:C[6]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6a]C[6a,6a]C[6])	C[6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6a,6a]C[5a,6a,6a]C[6,6a])(C[6]C[5,6]O)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6])	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6a]C[6a,6a]C[6]){1|C<4>,1|O<1>,6|C<3>}	C[6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6a,6a]C[5a,6a,6a]C[6,6a])(C[6]C[5,6]O){1|C<4>,8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6]){1|C<4>,8|C<3>}	121.0380	0.000	1	121.0380	0.000	1	121.0380	0.000	1	120.0340	1.048	34	120.6488	5.622	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:3:	N[5,6]-3:C[5,6,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	N[5,6]-3:C[5,6,6a]-3:C[6,6a]-3:	C[5,6,6a](N[5,6]In[3x4,5,3x6]C[6])(C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6,6a](N[5,6]In[3x4,5,3x6]C[6])(C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])	C[5,6,6a](N[5,6]In[3x4,5,3x6]C[6])(C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6]){1|Cl<1>,3|H<1>,3|S<3>,4|C<3>}	C[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|In<6>,1|N<3>,2|C<3>,2|H<1>}	C[5,6,6a](N[5,6]In[3x4,5,3x6]C[6])(C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6]){1|Cl<1>,3|H<1>,3|S<3>,4|C<3>}	119.7190	1.176	11	119.7190	1.382	11	119.7190	1.382	11	120.0340	1.048	34	120.6488	5.622	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[5,6,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6])	C[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6])	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6]){1|Ir<6>,1|C<3>,4|C<4>,4|H<1>}	C[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6]){1|Ir<6>,1|C<3>,4|C<4>,4|H<1>}	123.2650	1.037	2	123.3727	0.374	4	123.3727	0.374	4	123.3727	0.374	4	120.6488	5.622	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[5,6,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6])	C[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6])	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6]){1|Ir<6>,2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6]){1|Ir<6>,2|C<3>,3|C<4>,4|H<1>}	123.4805	0.042	2	123.3727	0.374	4	123.3727	0.374	4	123.3727	0.374	4	120.6488	5.622	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:B[6,6]-4:C[6a]-3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6a]-3:	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6a])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6,6a]B[6,6]C[6a])	C[6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(B[6,6]C[6,6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	C[5,6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[5,6,6a]C[5,6a,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6a])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6,6a]B[6,6]C[6a]){1|H<1>,1|N<3>,7|C<3>}	C[6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(B[6,6]C[6,6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|H<1>,9|C<3>}	C[5,6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[5,6,6a]C[5,6a,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a]){1|B<4>,1|H<1>,6|C<3>}	128.2555	0.008	2	128.2555	0.000	2	128.2555	0.000	2	126.2365	5.518	4	120.6488	5.622	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6,6a]-3:C[6,6a]-3:C[5,6a]-3:	C[5,6,6a]-3:C[6,6]-4:C[6a]-3:	C[5,6,6a]-3:C[6,6a]-3:C[5,6a]-3:	C[5,6,6a](C[5,6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6,6]C[6a])(C[5,6a]C[6a]C[5])	C[6,6a](C[5,6,6a]C[5,6,6a]C[5,6a])(C[6,6]C[6,6]C[6]Ru)(C[6a]C[6a]H)	C[5,6,6a](C[5,6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6,6]C[6a])(C[5,6a]C[6a]C[5])	C[5,6,6a](C[5,6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6,6]C[6a])(C[5,6a]C[6a]C[5]){1|Ru<11>,2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[5,6,6a]C[5,6,6a]C[5,6a])(C[6,6]C[6,6]C[6]Ru)(C[6a]C[6a]H){1|H<1>,3|C<3>,4|C<4>}	C[5,6,6a](C[5,6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6,6]C[6a])(C[5,6a]C[6a]C[5]){1|Ru<11>,2|C<4>,3|C<3>,4|H<1>}	124.2175	0.500	2	124.2175	0.250	2	124.2175	0.250	2	126.2365	5.518	4	120.6488	5.622	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6,6a]	3:4:3:	3:3:3:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6,6a]-3:	C[5,6,6a]-3:C[6,6a]-3:C[6]-3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a,6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[5,5,6]C[5,5]C)(C[6,6a]C[6,6a]C[6])	C[6,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6,6a]C[6a,6a]N[6])(C[6]C[6]H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6,6a])(C[5,5,6]C[5,5,6]C[5,5]C)(C[6a,6a]C[6a,6a]C[6a])	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[5,5,6]C[5,5]C)(C[6,6a]C[6,6a]C[6]){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6,6a]C[6a,6a]N[6])(C[6]C[6]H){1|H<1>,1|N<2>,3|C<3>,4|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6,6a])(C[5,5,6]C[5,5,6]C[5,5]C)(C[6a,6a]C[6a,6a]C[6a]){1|N<2>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	120.7730	0.000	1	120.7730	0.000	1	120.7730	0.000	1	120.7730	0.000	1	120.6488	5.622	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6a,6a]-3:C[6]-2:	C[5,6,6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6a]C[6a,6a]C[6])	C[6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6a,6a]C[5a,6a,6a]C[6,6a])(C[6]C[5,6])	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6a]C[6a,6a]C[6]){7|C<3>}	C[6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6a,6a]C[5a,6a,6a]C[6,6a])(C[6]C[5,6]){1|C<2>,7|C<3>}	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2){1|C<2>,7|C<3>}	120.7910	0.843	2	120.7910	0.710	2	120.7203	0.370	3	119.8572	3.226	4	121.3731	4.068	29	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6a,6a]-3:C[6]-2:	C[5,6,6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[6,6a]C[6a,6a]C[6])	C[6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6a,6a]C[5a,6a,6a]C[6,6a])(C[6]C[5a,6])	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[6,6a]C[6a,6a]C[6]){7|C<3>}	C[6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6a,6a]C[5a,6a,6a]C[6,6a])(C[6]C[5a,6]){1|C<2>,7|C<3>}	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2){1|C<2>,7|C<3>}	120.5790	0.000	1	120.5790	0.000	1	120.7203	0.370	3	119.8572	3.226	4	121.3731	4.068	29	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6a,6a]-3:C[6]-2:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5a,6a,6a]-3:	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6a]C[6a,6a]C[6])	C[6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6a,6a]C[5a,6a,6a]C[6,6a])(C[6]C[5,6])	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6,6a]C[6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6a]C[6a,6a]C[6]){7|C<3>}	C[6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6a,6a]C[5a,6a,6a]C[6,6a])(C[6]C[5,6]){1|C<2>,7|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6,6a]C[6,6a])(C[5a,6a,6a]C[5a,6a,6a]2){1|C<2>,7|C<3>}	117.2680	0.000	1	117.2680	0.000	1	117.2680	0.000	1	119.8572	3.226	4	121.3731	4.068	29	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6a,6a]-3:C[6]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5a,6a,6a]-3:	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6a]C[6a,6a]C[6])	C[6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6a,6a]C[5a,6a,6a]C[6,6a])(C[6]C[5,6]O)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6,6a]C[6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6a]C[6a,6a]C[6]){1|C<4>,1|O<1>,6|C<3>}	C[6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6a,6a]C[5a,6a,6a]C[6,6a])(C[6]C[5,6]O){1|C<4>,8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6,6a]C[6,6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	122.2270	0.000	1	122.2270	0.000	1	122.2270	0.000	1	120.3021	0.756	16	121.3731	4.068	29	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6,6a]-3:N[5,6a]-3:C[6a,6a]-3:	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]Ga[5]C[6])	C[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]C[6a]Ga[5])(C[6a,6a]C[6a]2)	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]Ga[5]C[6]){1|O<3>,3|F<1>,3|H<1>,4|C<3>}	C[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ga<6>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]C[6a]Ga[5])(C[6a,6a]C[6a]2){1|O<3>,3|F<1>,3|H<1>,4|C<3>}	119.9390	0.000	1	119.7145	0.101	2	120.2044	0.381	8	120.3021	0.756	16	121.3731	4.068	29	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6,6a]-3:N[5,6a]-3:C[6a,6a]-3:	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]Ga[5]C[6])	C[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]C[6a]Ga[5])(C[6a,6a]C[6a]2)	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]Ga[5]C[6]){2|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ga<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]C[6a]Ga[5])(C[6a,6a]C[6a]2){2|O<2>,3|H<1>,4|C<3>}	119.4900	0.000	1	119.7145	0.101	2	120.2044	0.381	8	120.3021	0.756	16	121.3731	4.068	29	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6,6a]-3:N[5,6a]-3:C[6a,6a]-3:	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]Ge[5]C[6])	C[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]C[6a]Ge[5])(C[6a,6a]C[6a]2)	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]Ge[5]C[6]){3|H<1>,4|C<3>}	C[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ge<2>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]C[6a]Ge[5])(C[6a,6a]C[6a]2){3|H<1>,4|C<3>}	120.2220	0.000	1	120.2220	0.000	1	120.2044	0.381	8	120.3021	0.756	16	121.3731	4.068	29	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6,6a]-3:N[5,6a]-3:C[6a,6a]-3:	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]In[5]C[6])	C[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]C[6a]In[5])(C[6a,6a]C[6a]2)	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]In[5]C[6]){1|Cl<1>,3|H<1>,3|O<2>,4|C<3>}	C[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|In<6>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]C[6a]In[5])(C[6a,6a]C[6a]2){1|Cl<1>,3|H<1>,3|O<2>,4|C<3>}	119.2570	0.000	1	119.2570	0.000	1	120.2044	0.381	8	120.3021	0.756	16	121.3731	4.068	29	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6,6a]-3:N[5,6a]-3:C[6a,6a]-3:	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6])	C[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]C[6a]Si[5])(C[6a,6a]C[6a]2)	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6]){1|C<2>,3|F<1>,3|H<1>,4|C<3>}	C[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Si<6>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]C[6a]Si[5])(C[6a,6a]C[6a]2){1|C<2>,3|F<1>,3|H<1>,4|C<3>}	120.5985	0.398	2	120.6817	0.092	4	120.2044	0.381	8	120.3021	0.756	16	121.3731	4.068	29	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6,6a]-3:N[5,6a]-3:C[6a,6a]-3:	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6])	C[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]C[6a]Si[5])(C[6a,6a]C[6a]2)	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6]){2|N<2>,2|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Si<6>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]C[6a]Si[5])(C[6a,6a]C[6a]2){2|N<2>,2|N<3>,3|H<1>,4|C<3>}	120.9760	0.000	1	120.6817	0.092	4	120.2044	0.381	8	120.3021	0.756	16	121.3731	4.068	29	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6,6a]-3:N[5,6a]-3:C[6a,6a]-3:	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6])	C[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]C[6a]Si[5])(C[6a,6a]C[6a]2)	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6]){4|Cl<1>,3|H<1>,4|C<3>}	C[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Si<6>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]C[6a]Si[5])(C[6a,6a]C[6a]2){4|Cl<1>,3|H<1>,4|C<3>}	120.5540	0.000	1	120.6817	0.092	4	120.2044	0.381	8	120.3021	0.756	16	121.3731	4.068	29	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:N[5,6]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6,6a]-3:N[5,6a]-3:C[6a,6a]-3:	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(N[5,6]Ga[5,5]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]Ga[5,5]C[6a])(C[6a,6a]C[6a]2)	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(N[5,6]Ga[5,5]C[6])(C[6,6a]C[6a]C[6]){2|Cl<1>,2|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ga<6>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]Ga[5,5]C[6a])(C[6a,6a]C[6a]2){2|Cl<1>,2|N<3>,3|H<1>,4|C<3>}	119.7680	0.000	1	119.7680	0.000	1	119.9710	0.333	5	120.3021	0.756	16	121.3731	4.068	29	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:N[5,6]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6,6a]-3:N[5,6a]-3:C[6a,6a]-3:	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(N[5,6]In[4,5,6]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]In[4,5,6]C[6a])(C[6a,6a]C[6a]2)	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(N[5,6]In[4,5,6]C[6])(C[6,6a]C[6a]C[6]){1|Cl<1>,1|Se<3>,2|Se<2>,3|H<1>,4|C<3>}	C[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|In<6>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]In[4,5,6]C[6a])(C[6a,6a]C[6a]2){1|Cl<1>,1|Se<3>,2|Se<2>,3|H<1>,4|C<3>}	120.0870	0.000	1	120.0870	0.000	1	119.9710	0.333	5	120.3021	0.756	16	121.3731	4.068	29	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:N[5,6]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6,6a]-3:N[5,6a]-3:C[6a,6a]-3:	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(N[5,6]In[5,5]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]In[5,5]C[6a])(C[6a,6a]C[6a]2)	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(N[5,6]In[5,5]C[6])(C[6,6a]C[6a]C[6]){2|I<1>,2|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|In<6>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]In[5,5]C[6a])(C[6a,6a]C[6a]2){2|I<1>,2|N<3>,3|H<1>,4|C<3>}	119.0810	0.000	1	119.0810	0.000	1	119.9710	0.333	5	120.3021	0.756	16	121.3731	4.068	29	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:N[5,6]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6,6a]-3:N[5,6a]-3:C[6a,6a]-3:	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(N[5,6]Si[3x5]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]Si[3x5]C[6a])(C[6a,6a]C[6a]2)	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(N[5,6]Si[3x5]C[6])(C[6,6a]C[6a]C[6]){2|N<3>,2|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Si<6>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]Si[3x5]C[6a])(C[6a,6a]C[6a]2){2|N<3>,2|O<2>,3|H<1>,4|C<3>}	120.4595	0.094	2	120.4595	0.009	2	119.9710	0.333	5	120.3021	0.756	16	121.3731	4.068	29	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:N[5,6]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	N[5,6a]-3:C[5,6,6a]-3:C[6a,6a]-3:	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(N[5,6]In[3x4,5,3x6]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6a,6a](N[5,6a]In[3x4,5,3x6]C[6a])(C[5,6,6a]C[6,6a]N[5,6])(C[6a,6a]C[6a]2)	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(N[5,6]In[3x4,5,3x6]C[6])(C[6,6a]C[6a]C[6]){1|Cl<1>,3|H<1>,3|S<3>,4|C<3>}	C[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|In<6>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a,6a](N[5,6a]In[3x4,5,3x6]C[6a])(C[5,6,6a]C[6,6a]N[5,6])(C[6a,6a]C[6a]2){1|Cl<1>,3|H<1>,3|S<3>,4|C<3>}	120.5585	1.696	2	120.5585	2.878	2	120.5585	2.878	2	120.3021	0.756	16	121.3731	4.068	29	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:B[6,6]-4:C[6a]-3:	C[5,6,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6a])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6,6a]B[6,6]C[6a])	C[6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(B[6,6]C[6,6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6a,6a]C[6a]2)	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6a])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6,6a]B[6,6]C[6a]){1|H<1>,1|N<3>,7|C<3>}	C[6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(B[6,6]C[6,6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|H<1>,9|C<3>}	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6a,6a]C[6a]2){1|B<4>,3|H<1>,4|C<3>}	125.2245	0.071	2	125.2245	0.005	2	125.2245	0.005	2	125.2245	0.005	2	121.3731	4.068	29	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a,6a]	3:4:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6,6]-4:C[6,6a]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6a,6a]-3:	C[5,6,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(C[5,6,6]C[5,6,6]C[6,6]Ru)(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6a,6a](C[5,6,6a]C[5,6,6]C[6,6a])2(C[6a,6a]C[6a]2)	C[5,6,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(C[5,6,6]C[5,6,6]C[6,6]Ru)(C[6,6a]C[6a]C[6]){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<12>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a,6a](C[5,6,6a]C[5,6,6]C[6,6a])2(C[6a,6a]C[6a]2){1|Ru<12>,2|C<4>,2|H<1>,4|C<3>}	123.4860	0.565	4	123.4860	0.320	4	123.4860	0.320	4	123.5867	0.230	7	121.3731	4.068	29	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a,6a]	3:4:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6,6]-4:C[6,6a]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[6a,6a]-3:	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6,6]C[5,6,6a]C[6,6]C)(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6a,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(C[5,6,6a]C[5,6,6]C[6,6a])(C[6a,6a]C[6a]2)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6,6]C[5,6,6a]C[6,6]C)(C[6,6a]C[6a]C[6]){2|H<1>,6|C<3>}	C[6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(C[5,6,6a]C[5,6,6]C[6,6a])(C[6a,6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	123.4915	0.110	2	123.4915	0.012	2	123.4915	0.012	2	123.5867	0.230	7	121.3731	4.068	29	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a,6a]	3:4:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6]-4:C[6,6a]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5]C[6]Mo)(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,6a,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6a,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5,6,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5]C[6]Mo)(C[6,6a]C[6a]C[6]){4|C<3>,4|H<1>}	C[6,6a](C[5,6,6a]C[5,6a,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Mo<10>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|Mo<10>,1|C<4>,3|C<3>,4|H<1>}	124.1800	0.000	1	124.1800	0.000	1	124.1800	0.000	1	123.5867	0.230	7	121.3731	4.068	29	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	3:3:3:	3:2:3:	3:3:3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5,6,6a]-3:N[6a]-2:C[6]-3:	C[5,6,6a]-3:C[6a,6a]-3:C[5]-3:	C[5,6,6a](C[5,6a]C[6a,6a]C[5])(C[6,6a]N[6a]C[6])(C[5,6]C[6]N[5])	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[6a]C[6a,6a])(C[6]C[6]O)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[5]N[5]O)	C[5,6,6a](C[5,6a]C[6a,6a]C[5])(C[6,6a]N[6a]C[6])(C[5,6]C[6]N[5]){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[6a]C[6a,6a])(C[6]C[6]O){1|N<3>,2|C<4>,4|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[5]N[5]O){1|H<1>,1|N<2>,5|C<3>}	122.8817	0.222	3	122.8817	0.049	3	122.8817	0.049	3	122.8817	0.049	3	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	3:3:3:	3:2:4:	3:3:3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5,6,6a]-3:N[6a]-2:C[6]-4:	C[5,6,6a]-3:C[6a,6a]-3:C[5]-3:	C[5,6,6a](C[5,6a]C[6a,6a]C[5])(C[6,6a]N[6a]C[6])(C[5,6]C[6]N[5])	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[6a]C[6a,6a])(C[6]C[6]HH)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[5]N[5]O)	C[5,6,6a](C[5,6a]C[6a,6a]C[5])(C[6,6a]N[6a]C[6])(C[5,6]C[6]N[5]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|N<3>,2|C<4>,4|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	123.4085	0.194	6	123.4085	0.037	6	123.4085	0.037	6	123.4085	0.037	6	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:4:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-2:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6])	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]P)(C[6]C[6])	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]){1|P<3>,2|C<3>,6|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]P)(C[6]C[6]){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<2>,2|C<3>,3|H<1>}	124.1900	0.000	1	124.1900	0.000	1	124.1900	0.000	1	124.1900	0.000	1	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	3:3:3:	3:3:3:	3:2:3:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6,6a]-3:O[5]-2:C[6a]-3:	C[5,6,6a](N[5,6]Si[4,5,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(O[5]Si[4,5,5])(C[6a]C[6a]H)	C[5,6,6a](N[5,6]Si[4,5,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){2|C<3>,2|N<3>,2|O<2>,4|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Si<6>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(O[5]Si[4,5,5])(C[6a]C[6a]H){1|H<1>,2|N<3>,2|O<2>,3|C<3>}	123.2020	0.000	1	123.2020	0.000	1	123.2020	0.000	1	123.2020	0.000	1	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6,6a](C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6])	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]C)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]2)(O[5]C[5])	C[5,6,6a](C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]C){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	122.9770	0.000	1	122.9770	0.000	1	122.9770	0.000	1	122.0367	0.622	28	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6,6a](C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6])	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Si[5])	C[5,6,6a](C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6]){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Si<4>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Si[5]){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.7970	0.000	1	120.7970	0.000	1	120.7970	0.000	1	122.0367	0.622	28	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6,6a](N[5,6]Ga[3x5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Ga[3x5])	C[5,6,6a](N[5,6]Ga[3x5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){2|C<3>,2|N<3>,2|O<2>,4|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ga<6>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Ga[3x5]){1|H<1>,2|N<3>,2|O<2>,3|C<3>}	122.4210	0.538	3	122.4210	0.290	3	122.0483	0.574	26	122.0367	0.622	28	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6,6a](N[5,6]Ga[5,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]Cl)(C[6]C[6]H)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]Cl)(O[5]Ga[5,5])	C[5,6,6a](N[5,6]Ga[5,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){3|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]Cl)(C[6]C[6]H){1|Ga<5>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]Cl)(O[5]Ga[5,5]){1|Cl<1>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	122.5630	0.000	1	122.5630	0.000	1	122.0483	0.574	26	122.0367	0.622	28	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6,6a](N[5,6]Ga[5,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Ga[5,5])	C[5,6,6a](N[5,6]Ga[5,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|C<4>,1|N<3>,2|C<3>,2|O<2>,3|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ga<5>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Ga[5,5]){1|H<1>,1|N<3>,2|O<2>,3|C<3>}	121.4388	0.405	6	121.2999	0.272	7	122.0483	0.574	26	122.0367	0.622	28	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6,6a](N[5,6]Ga[5,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Ga[5,5])	C[5,6,6a](N[5,6]Ga[5,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|C<4>,1|O<2>,2|C<3>,2|N<3>,3|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ga<5>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Ga[5,5]){1|H<1>,1|O<2>,2|N<3>,3|C<3>}	120.4660	0.000	1	121.2999	0.272	7	122.0483	0.574	26	122.0367	0.622	28	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6,6a](N[5,6]Ge[3x5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Ge[3x5])	C[5,6,6a](N[5,6]Ge[3x5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|C<4>,1|N<3>,2|C<3>,2|O<2>,4|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ge<6>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Ge[3x5]){1|C<4>,1|H<1>,1|N<3>,2|O<2>,3|C<3>}	122.4145	0.704	2	122.4145	0.495	2	122.0483	0.574	26	122.0367	0.622	28	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6,6a](N[5,6]In[3x5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]In[3x5])	C[5,6,6a](N[5,6]In[3x5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){2|C<3>,2|N<3>,2|O<2>,4|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|In<6>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]In[3x5]){1|H<1>,2|N<3>,2|O<2>,3|C<3>}	121.7167	0.575	6	121.7167	0.330	6	122.0483	0.574	26	122.0367	0.622	28	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6,6a](N[5,6]Nb[3x5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Nb[3x5])	C[5,6,6a](N[5,6]Nb[3x5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|O<1>,2|C<3>,2|N<3>,2|O<2>,4|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Nb<7>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Nb[3x5]){1|H<1>,1|O<1>,2|N<3>,2|O<2>,3|C<3>}	122.2125	0.121	2	122.2125	0.015	2	122.0483	0.574	26	122.0367	0.622	28	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6,6a](N[5,6]Si[4,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Si[4,5])	C[5,6,6a](N[5,6]Si[4,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){2|Br<1>,2|C<3>,2|N<3>,4|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Si<6>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Si[4,5]){2|Br<1>,1|H<1>,2|N<3>,3|C<3>}	123.1180	0.000	1	122.9552	0.073	5	122.0483	0.574	26	122.0367	0.622	28	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6,6a](N[5,6]Si[4,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Si[4,5])	C[5,6,6a](N[5,6]Si[4,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){2|C<3>,2|N<2>,2|N<3>,4|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Si<6>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Si[4,5]){1|H<1>,2|N<2>,2|N<3>,3|C<3>}	123.0407	0.184	3	122.9552	0.073	5	122.0483	0.574	26	122.0367	0.622	28	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6,6a](N[5,6]Si[4,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Si[4,5])	C[5,6,6a](N[5,6]Si[4,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){2|Cl<1>,2|C<3>,2|N<3>,4|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Si<6>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Si[4,5]){2|Cl<1>,1|H<1>,2|N<3>,3|C<3>}	122.5360	0.000	1	122.9552	0.073	5	122.0483	0.574	26	122.0367	0.622	28	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5,6,6a]-3:C[6a]-3:N[6]-3:	C[5,6,6a]-3:C[6a]-3:N[5]-3:	C[5,6,6a](C[5,6a]C[6a]N[5])(C[6,6a]C[6a]N[6])(C[5,6]C[5]C[6])	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(N[6]C[6]C)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6,6a](C[5,6a]C[6a]N[5])(C[6,6a]C[6a]N[6])(C[5,6]C[5]C[6]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(N[6]C[6]C){1|H<1>,2|N<3>,4|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	124.5700	0.000	1	124.5700	0.000	1	124.5700	0.000	1	123.7916	0.248	5	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[5,6a]-3:N[5,6]-3:	C[5,6,6a]-3:C[5a,6]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:C[5]-3:	C[5,6,6a](C[6,6a]C[5a,6]C[6a])(C[5,6a]C[6a]C[5])(N[5,6]C[5]C[6])	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]H)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6,6a](C[6,6a]C[5a,6]C[6a])(C[5,6a]C[6a]C[5])(N[5,6]C[5]C[6]){1|S<2>,2|C<3>,2|O<1>,4|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	123.5970	0.281	4	123.5970	0.079	4	123.5970	0.079	4	123.7916	0.248	5	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6])	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]){1|C<2>,3|C<3>,6|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]CH){2|H<1>,4|C<3>}	123.6970	0.000	1	123.6970	0.000	1	123.6970	0.000	1	124.3293	0.205	4	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a]-3:C[6]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6])	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6]){4|C<3>,6|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	124.4295	0.100	2	124.4295	0.010	2	124.4295	0.010	2	124.3293	0.205	4	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6])	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]C)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6]){1|C<4>,3|C<3>,6|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]C){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	124.7610	0.000	1	124.7610	0.000	1	124.7610	0.000	1	124.3293	0.205	4	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(C[6]C[6]O)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H)	C[5,6,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6])(C[6,6a]C[6a]C[6]){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(C[6]C[6]O){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	123.3850	0.000	1	123.3850	0.000	1	123.3850	0.000	1	124.2393	0.351	10	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6,6a](C[5,6a]C[5,6]C[6a])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6])	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(C[6]C[6]O)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[6,6]C[5]C[6])(C[6a]C[6a]H)	C[5,6,6a](C[5,6a]C[5,6]C[6a])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(C[6]C[6]O){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[6,6]C[5]C[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,6|C<3>}	123.7110	0.000	1	123.7110	0.000	1	124.3749	0.319	8	124.2393	0.351	10	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6,6a](C[5,6a]C[5,6]C[6a])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6])	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(C[6]C[6]O)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[6,6a]C[5]C[6])(C[6a]C[6a]H)	C[5,6,6a](C[5,6a]C[5,6]C[6a])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[6,6a]C[5]C[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,6|C<3>}	124.4175	0.524	4	124.3310	0.184	6	124.3749	0.319	8	124.2393	0.351	10	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6,6a](C[5,6a]C[5,6]C[6a])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6])	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(C[6]C[6]O)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[6,6a]C[5]C[6])(C[6a]C[6a]H)	C[5,6,6a](C[5,6a]C[5,6]C[6a])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(C[6]C[6]O){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[6,6a]C[5]C[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,6|C<3>}	124.1580	0.086	2	124.3310	0.184	6	124.3749	0.319	8	124.2393	0.351	10	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6,6a](C[5,6a]C[5,6]C[6a])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6])	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(C[6]C[6]O)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[6,6a]C[5]C[6])(C[6a]C[6a]O)	C[5,6,6a](C[5,6a]C[5,6]C[6a])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]){1|C<4>,1|H<1>,1|O<1>,2|O<2>,4|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[6,6a]C[5]C[6])(C[6a]C[6a]O){2|C<4>,2|H<1>,6|C<3>}	125.3020	0.000	1	125.3020	0.000	1	124.3749	0.319	8	124.2393	0.351	10	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6,6a](C[5,6a]C[5,5]C[6a])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6])	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]O)(C[6]C[6]O)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6,6a](C[5,6a]C[5,5]C[6a])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6]){1|C<3>,1|H<1>,1|O<2>,2|O<1>,5|C<4>}	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]O)(C[6]C[6]O){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	124.0090	0.000	1	124.0090	0.000	1	124.0090	0.000	1	124.2393	0.351	10	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6,6]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6,6a](C[5,6,6]C[5,6]C[6,6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[5,6a](C[5,6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6])	C[5,6,6a](C[5,6,6]C[5,6]C[6,6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6,6a](C[5,6,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6]){2|C<3>,2|C<4>,2|H<1>}	125.3605	0.371	4	125.3605	0.138	4	125.3605	0.138	4	125.3605	0.138	4	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[5,6,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6,6a](C[5,6a]C[5,5]C[6a])(C[5,6]C[5,5]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	C[5,6,6a](C[5,6a]C[5,5]C[6a])(C[5,6]C[5,5]C[6])(C[6,6a]C[6a]C[6]){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	123.1360	0.000	1	123.1360	0.000	1	123.1360	0.000	1	123.8197	0.220	4	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[5,6,6a]-3:C[6a]-3:C[5]-3:	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6])	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]){1|C<3>,2|C<4>,2|N<2>,4|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]N){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	124.0477	0.133	3	124.0477	0.018	3	124.0477	0.018	3	123.8197	0.220	4	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6])	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6]){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]CH){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	124.7830	0.000	1	124.7830	0.000	1	124.2328	1.105	5	124.2328	1.105	5	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6])	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6]){1|C<3>,1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	124.1650	0.000	1	124.1650	0.000	1	124.2328	1.105	5	124.2328	1.105	5	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6])	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6]){1|C<2>,1|C<3>,1|C<4>,1|O<1>,1|O<2>,6|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	124.5310	0.000	1	124.5310	0.000	1	124.2328	1.105	5	124.2328	1.105	5	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6])	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6]){1|C<3>,1|C<4>,1|O<1>,8|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|F<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	125.2060	0.000	1	125.2060	0.000	1	124.2328	1.105	5	124.2328	1.105	5	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[6]P[5])	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]P[5]CH)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[6]P[5]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,7|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|P<4>,2|C<4>,3|H<1>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]P[5]CH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	122.4790	0.000	1	122.4790	0.000	1	124.2328	1.105	5	124.2328	1.105	5	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6,6]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[5,6,6a]-3:C[5]-4:C[6a]-3:	C[5,6,6a](C[5,6,6]C[5,6]C[6,6])(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[5,6a](C[5,6,6a]C[5,6,6]C[6,6a])(C[5]C[5,6]MoH)(C[6a]C[6a]H)	C[5,6,6a](C[5,6,6]C[5,6]C[6,6])(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6]){1|Mo<10>,2|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[5,6,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6,6a]C[5,6,6]C[6,6a])(C[5]C[5,6]MoH)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	126.5450	0.000	1	126.5450	0.000	1	126.5450	0.000	1	123.4156	3.040	8	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[5,6]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[5,6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]O)	C[5,6,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6])(C[6,6a]C[6a]C[6]){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]O){2|C<3>,3|C<4>,3|H<1>}	123.3190	0.000	1	123.3190	0.000	1	123.6990	0.188	5	123.4156	3.040	8	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[5,6]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[5,6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(C[6]C[6]HO)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H)	C[5,6,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6])(C[6,6a]C[6a]C[6]){2|C<3>,2|C<4>,3|O<2>,4|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(C[6]C[6]HO){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	123.7940	0.437	4	123.7940	0.191	4	123.6990	0.188	5	123.4156	3.040	8	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[5,6,6a]-3:P[5]-4:C[6a]-3:	C[5,6,6a](C[5,6a]C[6a]P[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6])	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(P[5]C[6a]C[5]Rh)(C[6a]C[6a]H)	C[5,6,6a](C[5,6a]C[6a]P[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6]){1|Rh<4>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|P<4>,2|C<4>,3|H<1>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(P[5]C[6a]C[5]Rh)(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	121.1425	0.015	2	121.1425	0.000	2	121.1425	0.000	2	123.4156	3.040	8	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	3:3:3:	3:4:3:	3:3:2:	C[6,6a]-3:C[5,6a]-3:C[5,6]-3:	C[5,6,6a]-3:C[6,6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:N[5]-2:	C[5,6,6a](C[6,6a]C[6,6]C[6a])(C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6])	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5])	C[5,6,6a](C[6,6a]C[6,6]C[6a])(C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]){1|C<3>,2|C<4>,6|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H){1|N<2>,1|N<4>,2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,2|C<4>,2|H<1>}	123.4400	0.000	1	123.4400	0.000	1	123.4400	0.000	1	123.4400	0.000	1	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5,6,6a]-3:C[4,6]-4:C[6a]-3:	C[5,6,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6,6a](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[4,6]C[6a])(C[5,6]C[5,6a]C[6])	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[4,6]C[4,5]C[4,6]H)(C[6a]C[6a]H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[4,6]C[6a])(C[5,6]C[5,6a]C[6]){2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[4,6]C[4,5]C[4,6]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	123.8162	0.361	6	123.8162	0.130	6	123.8162	0.130	6	123.8162	0.130	6	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	3:3:3:	3:4:3:	3:3:4:	C[5,6]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:P[5]-4:	C[5,6,6a](C[5,6]C[6,6a]N[5])(C[5,6a]C[6a]P[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(P[5]N[5]CC)	C[5,6,6a](C[5,6]C[6,6a]N[5])(C[5,6a]C[6a]P[5])(C[6,6a]C[6a]C[6]){2|H<1>,3|C<3>,4|C<4>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|P<4>,3|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(P[5]N[5]CC){1|C<4>,1|H<1>,2|C<3>}	123.4690	0.000	1	123.4690	0.000	1	123.4690	0.000	1	123.5360	0.647	4	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6])	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6]N[5a]C[6]H)(C[6a]C[6a]H)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6]){1|C<3>,1|C<4>,1|N<3>,9|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6]N[5a]C[6]H)(C[6a]C[6a]H){1|N<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|C<4>,3|H<1>}	123.0790	0.000	1	123.0790	0.000	1	123.0790	0.000	1	123.5360	0.647	4	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	3:3:3:	3:4:3:	3:3:4:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[5,6,6a](N[5,6]C[5a,6]C[5])(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6]N[5a,6]C[6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6,6a](N[5,6]C[5a,6]C[5])(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6]){1|N<2>,1|N<3>,3|C<3>,6|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6]N[5a,6]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	124.6900	0.000	1	124.6900	0.000	1	123.7980	1.591	2	123.5360	0.647	4	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	3:3:3:	3:4:3:	3:3:4:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[5,6,6a](N[5,6]C[6,6a]C[5])(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6,6a](N[5,6]C[6,6a]C[5])(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6]){1|C<4>,1|N<3>,1|O<2>,2|C<3>,6|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	122.9060	0.000	1	122.9060	0.000	1	123.7980	1.591	2	123.5360	0.647	4	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	3:3:3:	3:4:3:	3:4:3:	C[5,6,6a]-3:C[6,6a]-3:C[5,6a]-3:	C[5,6,6a]-3:C[6,6]-4:C[6a]-3:	C[5,6,6a]-3:C[5]-4:C[6a]-3:	C[5,6,6a](C[5,6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6,6]C[6a])(C[5,6a]C[6a]C[5])	C[6,6a](C[5,6,6a]C[5,6,6a]C[5,6a])(C[6,6]C[6,6]C[6]Ru)(C[6a]C[6a]H)	C[5,6a](C[5,6,6a]C[5,6,6a]C[6,6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5,6,6a](C[5,6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6,6]C[6a])(C[5,6a]C[6a]C[5]){1|Ru<11>,2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[5,6,6a]C[5,6,6a]C[5,6a])(C[6,6]C[6,6]C[6]Ru)(C[6a]C[6a]H){1|H<1>,3|C<3>,4|C<4>}	C[5,6a](C[5,6,6a]C[5,6,6a]C[6,6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){2|C<4>,3|C<3>}	125.3895	0.131	2	125.3895	0.017	2	125.3895	0.017	2	125.3895	0.017	2	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	3:3:4:	3:3:2:	3:3:4:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[5,6,6a]-3:C[6a]-3:O[6]-2:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]O[6])(C[5,6]C[5]C[6]H)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(O[6]C[6])	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(C[5]C[5]HH)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]O[6])(C[5,6]C[5]C[6]H){1|Br<1>,1|C<3>,2|C<4>,6|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,3|H<1>,4|C<4>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	122.6370	0.000	1	122.6370	0.000	1	122.6370	0.000	1	122.6370	0.000	1	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6,6a]-3:C[6a]-3:S[5]-2:	C[5,6,6a](C[5,6a]C[6a]S[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]H)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(C[6]O[6]O)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(S[5]C[5])	C[5,6,6a](C[5,6a]C[6a]S[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(C[6]O[6]O){1|C<3>,1|S<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(S[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	122.5880	0.000	1	122.5880	0.000	1	122.5880	0.000	1	122.5880	0.000	1	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[5,6,6a]-3:C[6]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:C[5]-3:	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]C)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]C){1|O<1>,3|C<3>,6|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,2|C<4>,3|H<1>}	122.7500	0.164	2	122.7500	0.027	2	122.7500	0.027	2	123.1744	0.246	5	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[6,6a]-3:P[5,6]-4:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6,6a]-3:C[6a]-3:C[5]-3:	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(P[5,6]C[5]P[6]W)	C[6,6a](C[5,6,6a]C[5,6a]P[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6a](C[5,6,6a]C[6,6a]P[5,6])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(P[5,6]C[5]P[6]W){1|Si<4>,3|C<3>,4|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]P[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Si<4>,1|H<1>,1|P<3>,1|W<6>,3|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]P[5,6])(C[6a]C[6a]H)(C[5]C[5]H){1|Si<4>,1|H<1>,1|P<3>,1|W<6>,2|C<3>}	123.2880	0.000	1	123.2880	0.000	1	123.2880	0.000	1	123.1744	0.246	5	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[5,6a]-3:C[5,6]-4:	C[5,6,6a]-3:C[6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:N[5]-3:	C[5,6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]C)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]C){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	123.9390	0.000	1	123.5420	0.315	2	123.5420	0.315	2	123.1744	0.246	5	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[5,6a]-3:C[5,6]-4:	C[5,6,6a]-3:C[6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:N[5]-3:	C[5,6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]C)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]C){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	123.1450	0.000	1	123.5420	0.315	2	123.5420	0.315	2	123.1744	0.246	5	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:2:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6,6a](C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]N[6]C)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(C[6]C[6]HH)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(O[5]C[5])	C[5,6,6a](C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]N[6]C){1|Cl<1>,1|O<2>,2|C<3>,5|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(C[6]C[6]HH){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	123.8750	0.000	1	123.8750	0.000	1	123.3786	0.136	5	123.3786	0.136	5	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:2:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6,6a](C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]N[6]C)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(O[5]C[5])	C[5,6,6a](C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]N[6]C){1|C<4>,2|C<3>,6|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	123.1153	0.047	3	123.1153	0.002	3	123.3786	0.136	5	123.3786	0.136	5	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:2:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6,6a](C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]N[6]C)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(O[5]C[5])	C[5,6,6a](C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]N[6]C){1|O<2>,2|C<3>,6|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	123.6720	0.000	1	123.6720	0.000	1	123.3786	0.136	5	123.3786	0.136	5	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[5,6,6a]-3:C[6a]-3:C[5]-3:	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]C)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]C){1|C<3>,1|C<4>,1|O<1>,8|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,2|C<4>,3|H<1>}	122.3760	0.000	1	122.3760	0.000	1	122.6968	0.777	4	122.6968	0.777	4	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[5,6,6a]-3:C[6a]-3:C[5]-3:	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[6]O[5]C)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[6]O[5]C){1|C<3>,1|C<4>,1|O<1>,6|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|H<1>,3|C<4>}	123.4050	0.000	1	123.4050	0.000	1	122.6968	0.777	4	122.6968	0.777	4	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[5,6,6a]-3:C[6a]-3:C[5]-3:	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[6]O[5]H)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(C[5]O[5]O)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[6]O[5]H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(C[5]O[5]O){1|C<3>,2|C<4>,2|H<1>}	123.4120	0.000	1	123.4120	0.000	1	122.6968	0.777	4	122.6968	0.777	4	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[5,6,6a]-3:C[6a]-3:C[5]-3:	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[6]O[5]H)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[6]O[5]H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	121.5940	0.000	1	121.5940	0.000	1	122.6968	0.777	4	122.6968	0.777	4	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:4:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[5,6,6a]-3:C[6,6a]-3:C[5]-4:	C[5,6,6a](C[5,6a]C[6,6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]C)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6,6a]H)(C[6]C[6]CC)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6,6a]C[6,6a]C[6])(C[5]C[6a]C[5]H)	C[5,6,6a](C[5,6a]C[6,6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]C){2|C<3>,4|C<4>,6|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6,6a]H)(C[6]C[6]CC){1|C<3>,2|H<1>,5|C<4>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6,6a]C[6,6a]C[6])(C[5]C[6a]C[5]H){2|H<1>,3|C<3>,7|C<4>}	122.7470	0.000	1	122.7470	0.000	1	122.7470	0.000	1	122.7470	0.000	1	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	3:3:4:	3:3:4:	3:4:3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[5,6,6a]-3:C[5]-4:C[6a]-3:	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]H)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5]C[6a]C[5]H)(C[6a]C[6a]C)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]H){1|C<4>,5|C<3>,6|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH){3|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5]C[6a]C[5]H)(C[6a]C[6a]C){2|C<4>,2|H<1>,5|C<3>}	123.1030	0.000	1	123.1030	0.000	1	123.4433	1.406	3	123.4433	1.406	3	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	3:3:4:	3:3:4:	3:4:3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[5,6,6a]-3:C[5]-4:C[6a]-3:	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]H)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5]C[6a]C[5]H)(C[6a]C[6a]O)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]H){1|C<4>,1|O<2>,3|C<3>,7|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]CH){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5]C[6a]C[5]H)(C[6a]C[6a]O){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	122.4650	0.000	1	122.4650	0.000	1	123.4433	1.406	3	123.4433	1.406	3	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	3:3:4:	3:3:4:	3:4:3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[5,6,6a]-3:C[5]-4:C[6a]-3:	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[6]O[5]O)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5]C[6a]O[5]H)(C[6a]C[6a]O)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[6]O[5]O){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5]C[6a]O[5]H)(C[6a]C[6a]O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	124.7620	0.000	1	124.7620	0.000	1	123.4433	1.406	3	123.4433	1.406	3	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	3:3:4:	3:4:3:	3:3:3:	C[6,6a]-3:C[5,6a]-3:C[5,6]-4:	C[5,6,6a]-3:C[3,6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:N[5]-3:	C[5,6,6a](C[6,6a]C[3,6]C[6a])(C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]H)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[3,6]C[3]2C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6,6a](C[6,6a]C[3,6]C[6a])(C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]H){2|C<4>,3|C<3>,6|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[3,6]C[3]2C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,4|C<4>,4|H<1>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,4|H<1>}	122.3970	0.000	1	122.3970	0.000	1	122.3970	0.000	1	123.8377	1.688	3	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	3:3:4:	3:4:3:	3:3:3:	C[6,6a]-3:C[5,6a]-3:C[5,6]-4:	C[5,6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[5]-3:C[6a]-3:	C[5,6,6a](C[6,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]H)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]O)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]O)	C[5,6,6a](C[6,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]H){1|C<4>,2|H<1>,2|O<2>,5|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]O){1|C<4>,1|O<2>,3|H<1>,7|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	124.5580	0.512	2	124.5580	0.262	2	124.5580	0.262	2	123.8377	1.688	3	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	3:3:4:	3:4:3:	3:3:4:	C[6,6a]-3:C[5,6a]-3:C[5,6]-4:	C[5,6,6a]-3:C[3x6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[5,6,6a](C[6,6a]C[3x6]C[6a])(C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]H)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[3x6]C[4x6]O[6,6]H)(C[6a]C[6a]H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6,6a](C[6,6a]C[3x6]C[6a])(C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]H){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[3x6]C[4x6]O[6,6]H)(C[6a]C[6a]H){2|C<3>,2|H<1>,5|C<4>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,3|C<4>,3|H<1>}	122.6270	0.000	1	122.6270	0.000	1	122.6270	0.000	1	122.6270	0.000	1	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	3:4:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5,6a]-3:	C[5,6,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:N[5]-3:	C[5,6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]C[5]H)(C[5,6a]C[6a]N[5])	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]C[5]H)(C[5,6a]C[6a]N[5]){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,5|H<1>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	121.5965	0.054	2	121.5965	0.003	2	121.5965	0.003	2	121.5965	0.003	2	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	3:4:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[5,6]-4:C[5,6a]-3:	C[5,6,6a]-3:N[6,6]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[5,6,6a](C[6,6a]N[6,6]C[6a])(C[5,6]C[5,6]C[5]O)(C[5,6a]C[6a]C[5])	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[6,6]C[5,6,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6,6a](C[6,6a]N[6,6]C[6a])(C[5,6]C[5,6]C[5]O)(C[5,6a]C[6a]C[5]){1|C<4>,3|C<3>,7|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[6,6]C[5,6,6]C[6])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<3>,2|O<2>,4|C<4>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	122.3390	0.000	1	122.3390	0.000	1	122.3390	0.000	1	122.3390	0.000	1	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	3:4:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6]-4:C[6,6a]-3:	C[5,6,6a]-3:C[6]-3:C[6a]-3:	C[5,6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[6,6]C[5]O)(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[5]C[6]2)(C[6a]C[6a]O)	C[5,6,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[6,6]C[5]O)(C[6,6a]C[6a]C[6]){1|O<1>,2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[5]C[6]2)(C[6a]C[6a]O){1|O<2>,3|H<1>,4|C<3>,4|C<4>}	125.3720	0.000	1	125.3720	0.000	1	125.3720	0.000	1	125.3720	0.000	1	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	3:4:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6,6a]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[5,6,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]O)(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]O)(C[6,6a]C[6a]C[6]){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	122.5650	0.607	2	122.5650	0.368	2	122.5650	0.368	2	122.5650	0.368	2	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	4:3:3:	3:3:2:	3:3:2:	C[5,6,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6a]-3:O[6]-2:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6,6a](C[5,6,6]C[5,6]C[6,6]H)(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]O[6])	C[6,6a](C[5,6,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(O[6]C[6])	C[5,6a](C[5,6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]C)(O[5]C[5,6])	C[5,6,6a](C[5,6,6]C[5,6]C[6,6]H)(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]O[6]){2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[5,6,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(O[6]C[6]){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[5,6a](C[5,6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]C)(O[5]C[5,6]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	121.4300	0.000	1	121.4300	0.000	1	121.4300	0.000	1	121.4300	0.000	1	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	4:3:3:	3:3:3:	3:2:3:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6,6a]-3:O[5]-2:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6a](C[5,6,6a]C[5,5,6]C[6,6a])(O[5]C[5,5,6])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|O<1>,3|H<1>,5|C<3>}	C[6,6a](C[5,6,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[5,6a](C[5,6,6a]C[5,5,6]C[6,6a])(O[5]C[5,5,6])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	123.7160	0.467	2	123.7160	0.218	2	123.7160	0.218	2	123.7160	0.218	2	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	4:3:3:	3:3:3:	3:3:2:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6,6a](C[5,5,6]C[5,6]C[5]2)(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6a](C[5,6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5])	C[5,6,6a](C[5,5,6]C[5,6]C[5]2)(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[5,6,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(C[6]C[6]H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5]){1|O<1>,2|C<3>,3|C<4>}	121.9920	0.611	2	121.9920	0.373	2	121.9920	0.373	2	122.1245	0.160	4	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	4:3:3:	3:3:3:	3:3:2:	C[5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6,6a](C[5,6]C[6,6a]C[5]O)(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(O[5]C[5])	C[5,6,6a](C[5,6]C[6,6a]C[5]O)(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(O[5]C[5]){1|O<2>,2|H<1>,4|C<3>}	122.2570	0.191	2	122.2570	0.036	2	122.2570	0.036	2	122.1245	0.160	4	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	4:3:3:	3:3:3:	3:3:3:	C[5,6,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6]-3:C[6a]-3:	C[5,6,6a]-3:C[5]-3:C[6a]-3:	C[5,6,6a](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,6,6]C[5,6a])(C[6]C[5,6]C)(C[6a]C[6a]H)	C[5,6a](C[5,6,6a]C[5,6,6]C[6,6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6,6a](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6]){1|C<2>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[5,6,6a]C[5,6,6]C[5,6a])(C[6]C[5,6]C)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6,6a]C[5,6,6]C[6,6a])(C[5]C[5,6]O)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	121.8815	0.320	2	121.8815	0.103	2	121.8547	0.041	4	122.6972	0.459	12	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	4:3:3:	3:3:3:	3:3:3:	C[5,6,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6]-3:C[6a]-3:	C[5,6,6a]-3:C[5]-3:C[6a]-3:	C[5,6,6a](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,6,6]C[5,6a])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6,6a]C[5,6,6]C[6,6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6,6a](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6]){2|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[6,6a](C[5,6,6a]C[5,6,6]C[5,6a])(C[6]C[5,6]O)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6,6a]C[5,6,6]C[6,6a])(C[5]C[5,6]O)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	121.8280	0.134	2	121.8280	0.018	2	121.8547	0.041	4	122.6972	0.459	12	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	4:3:3:	3:3:3:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6a]-3:N[6]-3:	C[5,6,6a]-3:C[6a]-3:C[5]-3:	C[5,6,6a](C[5,6]C[6a]C[6]N[5])(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]N[6])	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(N[6]C[6]S)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6,6a](C[5,6]C[6a]C[6]N[5])(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]N[6]){1|C<4>,1|O<1>,1|O<2>,1|S<4>,3|C<3>,4|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	122.6500	0.000	1	122.6500	0.000	1	122.6500	0.000	1	122.6972	0.459	12	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	4:3:3:	3:3:3:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:N[6]-3:C[6a]-3:	C[5,6,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6,6a](C[5,6]C[5,6a]C[6,6a]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6a]N[6])	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,6]C[5,6a]C[6,6a]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6a]N[6]){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	123.3100	0.000	1	123.3100	0.000	1	123.1853	0.069	7	122.6972	0.459	12	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	4:3:3:	3:3:3:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:N[6]-3:C[6a]-3:	C[5,6,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6,6a](C[5,6]C[5,6a]C[6,6a]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6a]N[6])	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,6]C[5,6a]C[6,6a]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6a]N[6]){2|H<1>,6|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,7|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	123.2880	0.219	4	123.2880	0.048	4	123.1853	0.069	7	122.6972	0.459	12	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	4:3:3:	3:3:3:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:N[6]-3:C[6a]-3:	C[5,6,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6,6a](C[5,6]C[5,6a]C[6,6a]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6a]N[6])	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,6]C[5,6a]C[6,6a]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6a]N[6]){3|H<1>,5|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	122.9175	0.264	2	122.9175	0.070	2	123.1853	0.069	7	122.6972	0.459	12	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	4:3:3:	3:3:3:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[5,6a]-3:	C[5,6,6a]-3:C[6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[5,6,6a](C[5,6]C[6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6a]C[6a]C[5])	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]O[5]HH)	C[5,6,6a](C[5,6]C[6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6a]C[6a]C[5]){5|H<1>,6|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<4>,1|H<1>,3|C<3>}	124.6070	0.000	1	124.6070	0.000	1	124.6070	0.000	1	124.6070	0.000	1	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	4:3:3:	3:3:3:	3:4:3:	C[5,6,6]-4:C[6,6a]-3:C[5,6a]-3:	C[5,6,6a]-3:C[6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5]-4:C[6a]-3:	C[5,6,6a](C[5,6,6]C[5,6]C[6,6]Ru)(C[6,6a]C[6,6a]C[6a])(C[5,6a]C[6a]C[5])	C[6,6a](C[5,6,6a]C[5,6,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6,6a]C[5,6,6]C[6,6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5,6,6a](C[5,6,6]C[5,6]C[6,6]Ru)(C[6,6a]C[6,6a]C[6a])(C[5,6a]C[6a]C[5]){2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[5,6,6a]C[5,6,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|Ru<11>,2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6,6a]C[5,6,6]C[6,6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|Ru<11>,1|H<1>,2|C<3>,2|C<4>}	127.3180	0.139	2	127.3180	0.019	2	127.3180	0.019	2	127.3180	0.019	2	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	4:3:3:	3:3:4:	3:3:2:	C[5,6,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6,6a](C[5,6,6]C[5,6]C[6]N[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[5,6a](C[5,6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6,6a](C[5,6,6]C[5,6]C[6]N[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[6,6a](C[5,6,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	123.6920	0.000	1	123.6920	0.000	1	123.6920	0.000	1	123.6920	0.000	1	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	4:3:3:	3:3:4:	3:3:3:	C[3,5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[5,6,6a]-3:C[6a]-3:N[5]-3:	C[5,6,6a](C[3,5,6]C[3,6]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[3,5,6]C[5,6a])(C[6a]C[6a]H)(C[6]C[6]CO)	C[5,6a](C[5,6,6a]C[3,5,6]C[6,6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6,6a](C[3,5,6]C[3,6]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6,6a]C[6a]C[6]){1|O<1>,1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[6,6a](C[5,6,6a]C[3,5,6]C[5,6a])(C[6a]C[6a]H)(C[6]C[6]CO){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6,6a]C[3,5,6]C[6,6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	121.9660	0.000	1	121.9660	0.000	1	121.9660	0.000	1	122.6354	0.432	5	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	4:3:3:	3:3:4:	3:3:3:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[5,6,6a]-3:C[5]-3:C[6a]-3:	C[5,6,6a](C[5,3x6]C[5,6,6]C[4x6]H)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[5]C[5,6,6]O)(C[6a]C[6a]C)	C[5,6,6a](C[5,3x6]C[5,6,6]C[4x6]H)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6]){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[5]C[5,6,6]O)(C[6a]C[6a]C){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	122.5220	0.333	3	122.5220	0.111	3	122.5220	0.111	3	122.6354	0.432	5	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	4:3:3:	3:3:4:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6a,6a]-3:C[6]-4:	C[5,6,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6,6a](C[5,6]C[5,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6a,6a]C[6])	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]HH)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C)	C[5,6,6a](C[5,6]C[5,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6a,6a]C[6]){1|C<2>,2|H<1>,8|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]HH){1|H<1>,8|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C){1|C<4>,1|H<1>,6|C<3>}	123.6450	0.000	1	123.6450	0.000	1	123.6450	0.000	1	122.6354	0.432	5	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	4:3:3:	3:3:4:	3:4:3:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[5,6,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6,6a](C[5,3x6]C[5,5,6,6]C[4x6]H)(C[5,6a]C[5,5]C[6a])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[5,5]C[5,5,6,6]O[5]H)(C[6a]C[6a]C)	C[5,6,6a](C[5,3x6]C[5,5,6,6]C[4x6]H)(C[5,6a]C[5,5]C[6a])(C[6,6a]C[6a]C[6]){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[5,5]C[5,5,6,6]O[5]H)(C[6a]C[6a]C){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	123.3640	0.000	1	123.3640	0.000	1	123.3640	0.000	1	123.3197	0.015	3	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	4:3:3:	3:3:4:	3:4:3:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[5,6,6a]-3:C[5]-4:C[6a]-3:	C[5,6,6a](C[5,3x6]C[5,6,6]C[4x6]H)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]C)	C[5,6,6a](C[5,3x6]C[5,6,6]C[4x6]H)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6]){2|C<3>,4|C<4>,6|H<1>}	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]C){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	123.1810	0.000	1	123.1810	0.000	1	123.2975	0.027	2	123.3197	0.015	3	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	4:3:3:	3:3:4:	3:4:3:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[5,6,6a]-3:C[5]-4:C[6a]-3:	C[5,6,6a](C[5,3x6]C[5,6,6]C[4x6]O)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]C)	C[5,6,6a](C[5,3x6]C[5,6,6]C[4x6]O)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6]){2|C<3>,4|C<4>,6|H<1>}	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]C){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	123.4140	0.000	1	123.4140	0.000	1	123.2975	0.027	2	123.3197	0.015	3	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	4:3:3:	3:4:3:	3:2:3:	C[5,4x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[5,6,6a]-3:O[5]-2:C[6a]-3:	C[5,6,6a](C[5,4x6]C[4,4x6]C[5,6,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,4x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6,6a]C[5,4x6]C[6,6a])(O[5]C[5,6,6])(C[6a]C[6a]O)	C[5,6,6a](C[5,4x6]C[4,4x6]C[5,6,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|C<3>,2|O<2>,4|C<4>,6|H<1>}	C[6,6a](C[5,6,6a]C[5,4x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6a](C[5,6,6a]C[5,4x6]C[6,6a])(O[5]C[5,6,6])(C[6a]C[6a]O){1|C<3>,2|H<1>,4|C<4>}	122.7530	0.000	1	122.7530	0.000	1	123.2759	0.315	13	123.2759	0.315	13	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	4:3:3:	3:4:3:	3:2:3:	C[5,4x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[5,6,6a]-3:O[5]-2:C[6a]-3:	C[5,6,6a](C[5,4x6]C[5,6,6]C[5x6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,4x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6,6a]C[5,4x6]C[6,6a])(O[5]C[5,6,6])(C[6a]C[6a]O)	C[5,6,6a](C[5,4x6]C[5,6,6]C[5x6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[6,6a](C[5,6,6a]C[5,4x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6a](C[5,6,6a]C[5,4x6]C[6,6a])(O[5]C[5,6,6])(C[6a]C[6a]O){1|C<3>,2|H<1>,4|C<4>}	123.4440	1.211	2	123.3195	0.316	12	123.2759	0.315	13	123.2759	0.315	13	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	4:3:3:	3:4:3:	3:2:3:	C[5,4x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[5,6,6a]-3:O[5]-2:C[6a]-3:	C[5,6,6a](C[5,4x6]C[5,6,6]C[5x6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,4x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6,6a]C[5,4x6]C[6,6a])(O[5]C[5,6,6])(C[6a]C[6a]O)	C[5,6,6a](C[5,4x6]C[5,6,6]C[5x6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[6,6a](C[5,6,6a]C[5,4x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<4>,1|O<2>,2|H<1>,3|C<4>}	C[5,6a](C[5,6,6a]C[5,4x6]C[6,6a])(O[5]C[5,6,6])(C[6a]C[6a]O){1|C<3>,2|H<1>,4|C<4>}	123.5932	0.484	4	123.3195	0.316	12	123.2759	0.315	13	123.2759	0.315	13	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	4:3:3:	3:4:3:	3:2:3:	C[5,4x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[5,6,6a]-3:O[5]-2:C[6a]-3:	C[5,6,6a](C[5,4x6]C[5,6,6]C[5x6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,4x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6,6a]C[5,4x6]C[6,6a])(O[5]C[5,6,6])(C[6a]C[6a]O)	C[5,6,6a](C[5,4x6]C[5,6,6]C[5x6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|O<2>,2|C<3>,4|C<4>,6|H<1>}	C[6,6a](C[5,6,6a]C[5,4x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6a](C[5,6,6a]C[5,4x6]C[6,6a])(O[5]C[5,6,6])(C[6a]C[6a]O){1|C<3>,2|H<1>,4|C<4>}	123.1424	0.392	5	123.3195	0.316	12	123.2759	0.315	13	123.2759	0.315	13	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	4:3:3:	3:4:3:	3:2:3:	C[5,4x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[5,6,6a]-3:O[5]-2:C[6a]-3:	C[5,6,6a](C[5,4x6]C[5,6,6]C[5x6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,4x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6,6a]C[5,4x6]C[6,6a])(O[5]C[5,6,6])(C[6a]C[6a]O)	C[5,6,6a](C[5,4x6]C[5,6,6]C[5x6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	C[6,6a](C[5,6,6a]C[5,4x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6a](C[5,6,6a]C[5,4x6]C[6,6a])(O[5]C[5,6,6])(C[6a]C[6a]O){1|C<3>,1|H<1>,5|C<4>}	122.8610	0.000	1	123.3195	0.316	12	123.2759	0.315	13	123.2759	0.315	13	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	4:3:3:	3:4:3:	3:3:2:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]Cl)	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]N)(O[5]C[5,6])	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|Cl<1>,1|N<3>,2|C<3>,3|C<4>,6|H<1>}	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]Cl){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]N)(O[5]C[5,6]){2|C<3>,2|H<1>,3|C<4>}	124.5710	0.000	1	124.5710	0.000	1	123.3876	0.587	34	123.3814	0.679	36	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	4:3:3:	3:4:3:	3:3:2:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|C<3>,4|C<4>,8|H<1>}	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,2|H<1>,4|C<4>}	122.4300	0.000	1	122.4300	0.000	1	123.3876	0.587	34	123.3814	0.679	36	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	4:3:3:	3:4:3:	3:3:2:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]N)(O[5]C[5,6])	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|C<3>,1|N<3>,4|C<4>,7|H<1>}	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]N)(O[5]C[5,6]){1|C<3>,2|H<1>,4|C<4>}	122.5370	0.000	1	122.5370	0.000	1	123.3876	0.587	34	123.3814	0.679	36	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	4:3:3:	3:4:3:	3:3:2:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6])	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|C<3>,2|O<2>,4|C<4>,6|H<1>}	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6]){1|C<3>,2|H<1>,4|C<4>}	124.2760	0.000	1	123.4077	0.544	31	123.3876	0.587	34	123.3814	0.679	36	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	4:3:3:	3:4:3:	3:3:2:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6])	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|C<3>,2|O<2>,4|C<4>,6|H<1>}	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<4>,1|O<2>,2|H<1>,3|C<4>}	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6]){1|C<3>,2|H<1>,4|C<4>}	123.5340	0.615	3	123.4077	0.544	31	123.3876	0.587	34	123.3814	0.679	36	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	4:3:3:	3:4:3:	3:3:2:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6])	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6]){1|C<3>,2|H<1>,4|C<4>}	122.7996	0.502	9	123.4077	0.544	31	123.3876	0.587	34	123.3814	0.679	36	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	4:3:3:	3:4:3:	3:3:2:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6])	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6]){2|C<3>,2|H<1>,3|C<4>}	123.9140	0.161	2	123.4077	0.544	31	123.3876	0.587	34	123.3814	0.679	36	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	4:3:3:	3:4:3:	3:3:2:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6])	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<4>,1|O<2>,2|H<1>,3|C<4>}	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6]){1|C<3>,2|H<1>,4|C<4>}	123.1786	0.592	8	123.4077	0.544	31	123.3876	0.587	34	123.3814	0.679	36	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	4:3:3:	3:4:3:	3:3:2:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6])	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6]){2|C<4>,2|H<1>,3|C<3>}	123.8350	0.000	1	123.4077	0.544	31	123.3876	0.587	34	123.3814	0.679	36	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	4:3:3:	3:4:3:	3:3:2:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6])	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6]){2|C<3>,2|H<1>,3|C<4>}	124.4610	0.000	1	123.4077	0.544	31	123.3876	0.587	34	123.3814	0.679	36	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	4:3:3:	3:4:3:	3:3:2:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6])	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){2|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6]){2|C<3>,2|H<1>,3|C<4>}	123.0780	0.000	1	123.4077	0.544	31	123.3876	0.587	34	123.3814	0.679	36	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	4:3:3:	3:4:3:	3:3:2:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6])	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){2|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<4>,1|O<2>,2|H<1>,3|C<4>}	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6]){2|C<3>,2|H<1>,3|C<4>}	124.1870	0.625	5	123.4077	0.544	31	123.3876	0.587	34	123.3814	0.679	36	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	4:3:3:	3:4:3:	3:3:2:	C[5,5,6,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6,6a](C[5,5,6,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,5,6,6]C[5,6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6,6a]C[5,5,6,6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6])	C[5,6,6a](C[5,5,6,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	C[6,6a](C[5,6,6a]C[5,5,6,6]C[5,6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6a](C[5,6,6a]C[5,5,6,6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6]){1|C<3>,2|H<1>,4|C<4>}	124.7560	0.000	1	124.7560	0.000	1	124.7560	0.000	1	123.3814	0.679	36	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	4:3:3:	3:4:3:	3:3:2:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:N[5]-2:	C[5,6,6a](C[5,5,6]C[5,6,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,5,6]C[5,6a])(C[6]C[6,6]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]H)(N[5]C[5])	C[5,6,6a](C[5,5,6]C[5,6,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6,6a]C[6a]C[6]){2|C<3>,4|H<1>,5|C<4>}	C[6,6a](C[5,6,6a]C[5,5,6]C[5,6a])(C[6]C[6,6]CC)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	121.7980	0.000	1	121.7980	0.000	1	121.7980	0.000	1	123.3814	0.679	36	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	4:3:3:	3:4:3:	3:3:3:	C[3,5,6]-4:C[6,6a]-3:C[5,6a]-3:	C[5,6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:N[5]-3:	C[5,6,6a](C[3,5,6]C[3,6]C[3]C[5])(C[6,6a]C[5,6]C[6a])(C[5,6a]C[6a]N[5])	C[6,6a](C[5,6,6a]C[3,5,6]C[5,6a])(C[5,6]C[5,6]O[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6,6a]C[3,5,6]C[6,6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6,6a](C[3,5,6]C[3,6]C[3]C[5])(C[6,6a]C[5,6]C[6a])(C[5,6a]C[6a]N[5]){1|C<3>,1|O<1>,2|O<2>,3|H<1>,4|C<4>}	C[6,6a](C[5,6,6a]C[3,5,6]C[5,6a])(C[5,6]C[5,6]O[5]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,4|C<4>}	C[5,6a](C[5,6,6a]C[3,5,6]C[6,6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	121.1640	0.000	1	121.1640	0.000	1	121.1640	0.000	1	122.8291	1.322	9	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	4:3:3:	3:4:3:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:N[5]-3:	C[5,6,6a](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,5,6]C[5,6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6,6a](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6,6a]C[6a]C[6]){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C[6,6a](C[5,6,6a]C[5,5,6]C[5,6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	123.2935	0.897	2	123.2935	0.805	2	123.2935	0.805	2	122.8291	1.322	9	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	4:3:3:	3:4:3:	3:3:3:	C[5,6,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[5,6,6a]-3:C[5]-3:C[6a]-3:	C[5,6,6a](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,6,6]C[5,6a])(C[6]C[5,6]CO)(C[6a]C[6a]H)	C[5,6a](C[5,6,6a]C[5,6,6]C[6,6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6,6a](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6]){1|C<2>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[5,6,6a]C[5,6,6]C[5,6a])(C[6]C[5,6]CO)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6,6a]C[5,6,6]C[6,6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,4|C<4>}	121.5065	0.080	2	121.5065	0.006	2	121.5065	0.006	2	122.8291	1.322	9	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	4:3:3:	3:4:3:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[5,6,6a]-3:C[5a,6a]-3:C[5,5a]-3:	C[5,6,6a](C[5,6]C[5,5a]C[6,6a]C[6a])(C[5,6a]C[5a,6a]C[5,5a])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6]C[6,6a]C[6a]2)(C[6a]C[5a,6a]Cl)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5a,6a]C[5a,6a]C[5a])(C[5,5a]C[5,5a]S[5a])	C[5,6,6a](C[5,6]C[5,5a]C[6,6a]C[6a])(C[5,6a]C[5a,6a]C[5,5a])(C[6,6a]C[6a]C[6]){1|Cl<1>,1|S<2>,9|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6]C[6,6a]C[6a]2)(C[6a]C[5a,6a]Cl){10|C<3>,1|S<2>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5a,6a]C[5a,6a]C[5a])(C[5,5a]C[5,5a]S[5a]){1|C<4>,1|H<1>,1|S<2>,6|C<3>}	123.8260	0.000	1	123.8260	0.000	1	123.8260	0.000	1	122.8291	1.322	9	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	4:3:3:	3:4:3:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:N[5]-3:	C[5,6,6a](C[5,6]C[5,6]C[5]O)(C[5,6a]C[6a]N[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6,6a](C[5,6]C[5,6]C[5]O)(C[5,6a]C[6a]N[5])(C[6,6a]C[6a]C[6]){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	123.6240	0.291	3	123.6240	0.084	3	123.6240	0.084	3	122.8291	1.322	9	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6a]	4:3:3:	3:4:3:	3:3:4:	C[5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[5,6,6a](C[5,6]C[3x6]C[5]H)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6]C[4x6]HO)(C[6a]C[6a]H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6,6a](C[5,6]C[3x6]C[5]H)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6]){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6]C[4x6]HO)(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<3>,4|C<4>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|C<3>,2|H<1>,3|C<4>}	121.7930	0.000	1	121.7930	0.000	1	121.7930	0.000	1	121.7930	0.000	1	123.2455	1.284	212	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a,6a]	C[5,6,6a]	3:3:4:	3:3:3:	3:3:4:	C[5,6,6a]-3:C[6a,6a]-3:C[5,5,6]-4:	C[5,6,6a]-3:C[5,6a,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a,6a]-3:C[5,5,6]-4:	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[5,6a,6a]C[6a])(C[5,5,6]C[5,6]O[5,5]H)	C[6a,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[5,6a,6a]C[6a])(C[5,5,6]C[5,6]O[5,5]H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[5,6a,6a]C[6a])(C[5,5,6]C[5,6]O[5,5]H){2|H<1>,6|C<3>}	C[6a,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[5,6a,6a]C[6a])(C[5,5,6]C[5,6]O[5,5]H){2|H<1>,6|C<3>}	122.8535	0.489	4	122.8535	0.239	4	122.8535	0.239	4	122.8535	0.239	4	121.9483	0.570	73	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a,6a]	C[5,6,6a]	3:4:3:	3:3:2:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a,6a]-3:	C[5,6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[5,6,6a]-3:C[5,5,6]-4:C[6a,6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[5,5,6]C[5,5]C)(C[6a,6a]C[6a,6a]N[6a])	C[6a,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[5,5,6]C[5,5]C)(C[6a,6a]C[6a,6a]N[6a])	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[5,5,6]C[5,5]C)(C[6a,6a]C[6a,6a]N[6a]){1|H<1>,1|N<2>,1|O<1>,2|C<4>,4|C<3>}	C[6a,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]){2|H<1>,3|C<4>,4|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[5,5,6]C[5,5]C)(C[6a,6a]C[6a,6a]N[6a]){1|H<1>,1|N<2>,1|O<1>,2|C<4>,4|C<3>}	121.5665	0.138	2	121.5665	0.019	2	121.5665	0.019	2	121.5665	0.019	2	121.9483	0.570	73	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a,6a]	C[5,6,6a]	3:4:3:	3:3:3:	3:4:3:	C[5,6,6a]-3:C[3x5,6]-4:C[6a,6a]-3:	C[5,6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[3x5,6]C[3x5]C[5,6]2)(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[5,6,6a]C[5,6,6a]C[3x5,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6,6a](C[5,6,6a]C[3x5,6]C[6a,6a])(C[5,5,6]C[3x5]C[5,6]H)(C[6a]C[6a]H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[3x5,6]C[3x5]C[5,6]2)(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,2|C<2>,3|H<1>,6|C<3>}	C[6a,6a](C[5,6,6a]C[5,6,6a]C[3x5,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[5,6,6a](C[5,6,6a]C[3x5,6]C[6a,6a])(C[5,5,6]C[3x5]C[5,6]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<2>,4|C<3>}	120.5620	0.000	1	120.5620	0.000	1	120.5620	0.000	1	121.8587	1.886	14	121.9483	0.570	73	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a,6a]	C[5,6,6a]	3:4:3:	3:3:3:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a,6a]-3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a,6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[5,6,6a]O[5,5]H)(C[6a,6a]C[5,6a,6a]C[6a])	C[6a,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[5,6,6a]O[5,5]H)(C[6a,6a]C[5,6a,6a]C[6a])	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[5,6,6a]O[5,5]H)(C[6a,6a]C[5,6a,6a]C[6a]){2|H<1>,6|C<3>}	C[6a,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[5,6,6a]O[5,5]H)(C[6a,6a]C[5,6a,6a]C[6a]){2|H<1>,6|C<3>}	123.8475	3.490	2	123.8475	12.177	2	123.8475	12.177	2	121.8587	1.886	14	121.9483	0.570	73	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a,6a]	C[5,6,6a]	3:4:3:	3:3:3:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a,6a]-3:	C[5,6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,5,6]-4:C[6,6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6,6a])(C[5,5,6]C[5,5,6]C[5,5]C)(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[5,5,6]C[5,5]C)(C[6,6a]C[6,6a]C[6])	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6,6a])(C[5,5,6]C[5,5,6]C[5,5]C)(C[6a,6a]C[6a,6a]C[6a]){1|N<2>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[5,5,6]C[5,5]C)(C[6,6a]C[6,6a]C[6]){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	121.9050	0.000	1	121.9050	0.000	1	121.9050	0.000	1	121.8587	1.886	14	121.9483	0.570	73	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a,6a]	C[5,6,6a]	3:4:3:	3:3:3:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a,6a]-3:	C[5,6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a,6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[4,5,6]C[5,5]C)(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[4,5,6]C[5,5]C)(C[6a,6a]C[6a,6a]C[6a])	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[4,5,6]C[5,5]C)(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,1|O<1>,3|C<4>,4|C<3>}	C[6a,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>,3|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[4,5,6]C[5,5]C)(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,1|O<1>,3|C<4>,4|C<3>}	121.6900	1.307	2	121.6900	1.708	2	121.5860	0.222	10	121.8587	1.886	14	121.9483	0.570	73	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a,6a]	C[5,6,6a]	3:4:3:	3:3:3:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a,6a]-3:	C[5,6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a,6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[5,5,6]C[5,5]C)(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[5,5,6]C[5,5]C)(C[6a,6a]C[6a,6a]C[6a])	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[5,5,6]C[5,5]C)(C[6a,6a]C[6a,6a]C[6a]){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[6a,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[5,5,6]C[5,5]C)(C[6a,6a]C[6a,6a]C[6a]){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	121.7405	0.063	2	121.7405	0.004	2	121.5860	0.222	10	121.8587	1.886	14	121.9483	0.570	73	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a,6a]	C[5,6,6a]	3:4:3:	3:3:3:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a,6a]-3:	C[5,6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a,6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[5,5,6]C[5,5]C)(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[5,5,6]C[5,5]C)(C[6a,6a]C[6a,6a]C[6a])	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[5,5,6]C[5,5]C)(C[6a,6a]C[6a,6a]C[6a]){1|N<2>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>,3|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[5,5,6]C[5,5]C)(C[6a,6a]C[6a,6a]C[6a]){1|N<2>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	121.4998	0.187	6	121.4998	0.035	6	121.5860	0.222	10	121.8587	1.886	14	121.9483	0.570	73	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a,6a]	C[5,6,6a]	3:4:3:	3:3:3:	4:3:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a,6a]-3:	C[5,6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[6a,6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6,6]C[6a,6a])(C[5,5,6]C[5,5,6,6]O[5,5]H)(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6,6]C[5,5,3x6]C[6,6a]O[5,5])(C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[5,6,6a](C[5,6,6a]C[5,5,6,6]C[6a,6a])(C[5,5,6]C[5,5,6,6]O[5,5]H)(C[6a,6a]C[6a,6a]C[6a]){2|C<4>,2|H<1>,5|C<3>}	C[6a,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,6,6a](C[5,5,6,6]C[5,5,3x6]C[6,6a]O[5,5])(C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){2|C<4>,3|H<1>,6|C<3>}	123.1900	0.000	1	123.1900	0.000	1	123.1900	0.000	1	123.1900	0.000	1	121.9483	0.570	73	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a,6a]	C[5,6,6a]	4:3:3:	3:3:3:	3:4:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[6a,6a]-3:	C[5,6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a,6a]-3:	C[5,6,6a](C[5,5,6,6]C[5,5,3x6]C[6,6a]O[5,5])(C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[5,6,6a]C[5,5,6,6]C[5,6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,6,6a]C[5,5,6,6]C[6a,6a])(C[5,5,6]C[5,5,6,6]O[5,5]H)(C[6a,6a]C[6a,6a]C[6a])	C[5,6,6a](C[5,5,6,6]C[5,5,3x6]C[6,6a]O[5,5])(C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){2|C<4>,3|H<1>,6|C<3>}	C[6a,6a](C[5,6,6a]C[5,5,6,6]C[5,6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6,6]C[6a,6a])(C[5,5,6]C[5,5,6,6]O[5,5]H)(C[6a,6a]C[6a,6a]C[6a]){2|C<4>,2|H<1>,5|C<3>}	120.9710	0.000	1	120.9710	0.000	1	120.9710	0.000	1	121.1753	0.394	4	121.9483	0.570	73	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a,6a]	C[5,6,6a]	4:3:3:	3:3:3:	3:4:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a,6a]-3:	C[5,6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[5,5,6]C[5,5]H)(C[6a]N[6a]C)	C[5,6,6a](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|N<2>,4|C<3>,5|H<1>}	C[6a,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[5,5,6]C[5,5]H)(C[6a]N[6a]C){2|C<3>,2|C<4>,4|H<1>}	120.4080	0.000	1	120.4080	0.000	1	121.2433	0.563	3	121.1753	0.394	4	121.9483	0.570	73	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a,6a]	C[5,6,6a]	4:3:3:	3:3:3:	3:4:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a,6a]-3:	C[5,6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[5,6,6a]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[5,5,6]O[5,5]H)(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,4|C<3>,4|H<1>}	C[6a,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[5,6,6a]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[5,5,6]O[5,5]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	121.6610	0.280	2	121.6610	0.078	2	121.2433	0.563	3	121.1753	0.394	4	121.9483	0.570	73	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a,6a]	C[5,6,6a]	4:3:3:	3:3:3:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a,6a]-3:	C[5,6,6a]-3:C[3x6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a,6a]-3:	C[5,6,6a](C[5,5,6]C[5,5,6]C[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[3x6a]C[6a])	C[6a,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,5,6]C[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[3x6a]C[6a])	C[5,6,6a](C[5,5,6]C[5,5,6]C[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[3x6a]C[6a]){1|C<4>,1|O<1>,2|H<1>,8|C<3>}	C[6a,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H){1|H<1>,2|C<4>,6|C<3>}	C[5,6,6a](C[5,5,6]C[5,5,6]C[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[3x6a]C[6a]){1|C<4>,1|O<1>,2|H<1>,8|C<3>}	122.1004	0.219	8	122.1004	0.048	8	122.1004	0.048	8	121.9535	0.149	48	121.9483	0.570	73	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a,6a]	C[5,6,6a]	4:3:3:	3:3:3:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a,6a]-3:	C[5,6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[5,6a]-3:	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,6a]C[5,6a]C[5])	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[5,6a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,8|C<3>}	C[6a,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,6a]C[5,6a]C[5]){1|N<3>,2|H<1>,8|C<3>}	122.6397	0.267	3	122.6397	0.071	3	122.6397	0.071	3	121.9535	0.149	48	121.9483	0.570	73	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a,6a]	C[5,6,6a]	4:3:3:	3:3:3:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a,6a]-3:	C[5,6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a,6a]-3:	C[5,6,6a](C[5,5,6]C[5,5,6]C[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,5,6]C[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[5,6,6a](C[5,5,6]C[5,5,6]C[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|O<1>,2|H<1>,8|C<3>}	C[6a,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[5,6,6a](C[5,5,6]C[5,5,6]C[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|O<1>,2|H<1>,8|C<3>}	121.9207	0.189	30	121.9207	0.036	30	121.9353	0.044	35	121.9535	0.149	48	121.9483	0.570	73	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a,6a]	C[5,6,6a]	4:3:3:	3:3:3:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a,6a]-3:	C[5,6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a,6a]-3:	C[5,6,6a](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[5,6,6a](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|O<1>,2|H<1>,8|C<3>}	C[6a,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[5,6,6a](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|O<1>,2|H<1>,8|C<3>}	121.9095	0.607	2	121.9095	0.369	2	121.9353	0.044	35	121.9535	0.149	48	121.9483	0.570	73	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a,6a]	C[5,6,6a]	4:3:3:	3:3:3:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a,6a]-3:	C[5,6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a,6a]-3:	C[5,6,6a](C[5,5,6]C[5,6,6]C[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,6,6]C[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[5,6,6a](C[5,5,6]C[5,6,6]C[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|O<1>,2|H<1>,8|C<3>}	C[6a,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6]C[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|O<1>,2|H<1>,8|C<3>}	122.0160	0.000	1	122.0160	0.000	1	121.9353	0.044	35	121.9535	0.149	48	121.9483	0.570	73	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a,6a]	C[5,6,6a]	4:3:3:	3:3:3:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a,6a]-3:	C[5,6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a,6a]-3:	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|O<1>,9|C<3>}	C[6a,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|O<1>,9|C<3>}	122.1400	0.034	2	122.1400	0.001	2	121.9353	0.044	35	121.9535	0.149	48	121.9483	0.570	73	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a,6a]	C[5,6,6a]	4:3:3:	3:3:3:	4:3:3:	C[5,5,6]-4:C[6a,6a]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6a,6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[6a,6a]C[5,6,6a]C[6a,6a])(C[5,6,6a]C[5,5,6]C[6a])	C[6a,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(C[6a,6a]C[6a]2)	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[6a,6a]C[5,6,6a]C[6a,6a])(C[5,6,6a]C[5,5,6]C[6a]){1|C<4>,1|H<1>,8|C<3>}	C[6a,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(C[6a,6a]C[6a]2){2|C<4>,2|H<1>,2|O<2>,6|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a]C[6a]H){1|H<1>,7|C<3>}	120.6545	0.216	2	120.6545	0.047	2	120.6545	0.047	2	121.9535	0.149	48	121.9483	0.570	73	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	3:3:3:	3:3:1:	3:3:3:	P[3x5,6,6]-3:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	P[3x5,6,6]-3:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](P[3x5,6,6]P[3x5,4x6]P[4x5,6,6])(C[5,6,6a]P[3x5,6,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]P[3x5,6,6]C[5,6,6a])(C[6a]C[6a]H)(H)	C[5,6,6a](P[3x5,6,6]P[3x5,4x6]P[4x5,6,6])(C[5,6,6a]P[3x5,6,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](P[3x5,6,6]P[3x5,4x6]P[4x5,6,6])(C[5,6,6a]P[3x5,6,6]C[6a])(C[6a]C[6a]H){1|C<3>,2|H<1>,3|P<3>}	C[6a](C[5,6,6a]P[3x5,6,6]C[5,6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|P<3>}	C[5,6,6a](P[3x5,6,6]P[3x5,4x6]P[4x5,6,6])(C[5,6,6a]P[3x5,6,6]C[6a])(C[6a]C[6a]H){1|C<3>,2|H<1>,3|P<3>}	119.7169	0.477	8	119.7169	0.228	8	119.7169	0.228	8	119.7169	0.228	8	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	3:3:3:	3:3:3:	4:3:3:	Ge[5,5,6]-3:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:C-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](Ge[5,5,6]N[5,5,6]N[5,5])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6,6a]C[5,6,6a]Ge[5,5,6])(C[6a]C[6a]H)(CHN)	C[5,6,6a](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,6,6a]Ge[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](Ge[5,5,6]N[5,5,6]N[5,5])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]C){1|Ge<2>,1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]Ge[5,5,6])(C[6a]C[6a]H)(CHN){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|N<4>}	C[5,6,6a](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,6,6a]Ge[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<4>,2|H<1>,3|C<3>}	118.6290	0.000	1	118.6290	0.000	1	118.6290	0.000	1	118.6290	0.000	1	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:2:1:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:N[6a]-2:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]N[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(N[6a]N[6a])(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]N[6a]H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]N[6a]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(N[6a]N[6a])(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]N[6a]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	118.1395	0.460	2	118.1395	0.212	2	118.1395	0.212	2	118.1395	0.212	2	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:2:3:	4:3:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:N[6a]-2:C-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a,6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[5,5,6]C[5,5]H)(C[6a]N[6a]C)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(N[6a]C[6a,6a])(CNO)	C[5,6,6a](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a,6a]C[6a,6a]C[6a])	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[5,5,6]C[5,5]H)(C[6a]N[6a]C){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(N[6a]C[6a,6a])(CNO){1|H<1>,2|C<3>,3|C<4>}	C[5,6,6a](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|N<2>,4|C<3>,5|H<1>}	119.1740	0.000	1	119.1740	0.000	1	119.1740	0.000	1	119.1740	0.000	1	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]C)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(H){1|C<3>,2|H<1>,6|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]C){1|C<3>,2|C<4>,6|H<1>}	121.2318	1.018	16	121.2318	1.035	16	121.4514	0.599	32	121.1912	0.484	99	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]H){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(H){1|C<3>,2|H<1>,6|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]H){1|C<3>,2|C<4>,6|H<1>}	121.4837	0.289	6	121.4837	0.083	6	121.4514	0.599	32	121.1912	0.484	99	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]I)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]H){1|C<3>,1|I<1>,2|C<4>,5|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(H){1|C<3>,2|H<1>,6|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]I){1|C<3>,2|C<4>,6|H<1>}	121.8235	0.205	4	121.7835	0.081	10	121.4514	0.599	32	121.1912	0.484	99	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]I)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]H){1|C<3>,1|I<2>,2|C<4>,5|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(H){1|C<3>,2|H<1>,6|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]I){1|C<3>,2|C<4>,6|H<1>}	121.6683	0.408	4	121.7835	0.081	10	121.4514	0.599	32	121.1912	0.484	99	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]I)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]H){1|C<3>,1|I<3>,2|C<4>,5|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(H){1|C<3>,2|H<1>,6|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]I){1|C<3>,2|C<4>,6|H<1>}	121.9340	0.030	2	121.7835	0.081	10	121.4514	0.599	32	121.1912	0.484	99	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:I-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]I)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(I)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]I){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(I){1|C<3>,2|H<1>,6|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]H){1|C<3>,1|I<1>,2|C<4>,5|H<1>}	120.0062	0.275	4	120.0062	0.076	4	120.0062	0.076	4	121.1912	0.484	99	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[6,6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6,6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6,6a]C[6,6a]O[6])(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6,6a]H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6,6a]H){1|C<3>,1|C<4>,1|O<2>,1|P<3>,3|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6,6a]C[6,6a]O[6])(H){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6,6a]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	121.3200	0.000	1	121.1645	0.048	2	121.1645	0.048	2	121.1912	0.484	99	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[6,6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6,6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6,6a]C[6,6a]O[6])(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6,6a]H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6,6a]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6,6a]C[6,6a]O[6])(H){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6,6a]H){1|C<3>,1|C<4>,1|O<2>,1|P<3>,3|H<1>}	121.0090	0.000	1	121.1645	0.048	2	121.1645	0.048	2	121.1912	0.484	99	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a,6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a,6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a,6a]H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a,6a]H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a])(H){2|H<1>,3|C<3>,3|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a,6a]H){1|C<4>,2|C<3>,6|H<1>}	120.9143	0.221	4	120.9143	0.049	4	120.9143	0.049	4	121.1912	0.484	99	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:F-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]F)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(F)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]F){1|C<3>,1|C<4>,5|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(F){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	118.5290	0.000	1	118.5290	0.000	1	118.5290	0.000	1	121.1912	0.484	99	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[3x5,6]-4:C[6a,6a]-3:	C[5,6,6a](C[5,6,6a]C[3x5,6]C[6a,6a])(C[5,5,6]C[3x5]C[5,6]H)(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a,6a]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[3x5,6]C[3x5]C[5,6]2)(C[6a,6a]C[6a,6a]C[6a])	C[5,6,6a](C[5,6,6a]C[3x5,6]C[6a,6a])(C[5,5,6]C[3x5]C[5,6]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<2>,4|C<3>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a,6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[3x5,6]C[3x5]C[5,6]2)(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,2|C<2>,3|H<1>,6|C<3>}	122.6620	0.000	1	122.6620	0.000	1	122.6620	0.000	1	121.1912	0.484	99	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,6|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H){2|Br<1>,1|C<3>,1|C<4>,5|H<1>}	120.1890	0.000	1	120.6901	0.119	8	121.1687	0.205	55	121.1912	0.484	99	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	120.6380	0.206	2	120.6901	0.119	8	121.1687	0.205	55	121.1912	0.484	99	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,7|H<1>}	121.0700	0.000	1	120.6901	0.119	8	121.1687	0.205	55	121.1912	0.484	99	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,7|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	120.2520	0.000	1	120.6901	0.119	8	121.1687	0.205	55	121.1912	0.484	99	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,6|H<1>}	120.9135	0.226	2	120.6901	0.119	8	121.1687	0.205	55	121.1912	0.484	99	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H){2|Br<1>,1|C<3>,1|C<4>,5|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,6|H<1>}	120.9070	0.000	1	120.6901	0.119	8	121.1687	0.205	55	121.1912	0.484	99	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]C)(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]C)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]C)(H){1|N<4>,2|C<4>,3|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	120.3190	0.000	1	120.3190	0.000	1	121.1687	0.205	55	121.1912	0.484	99	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]C)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]C)(C[6a]C[6a]H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]C)(H){1|H<1>,1|N<4>,2|C<3>,2|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	120.8960	0.000	1	120.8960	0.000	1	121.1687	0.205	55	121.1912	0.484	99	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	121.6430	0.000	1	121.2419	0.222	14	121.1687	0.205	55	121.1912	0.484	99	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	120.8480	0.000	1	121.2419	0.222	14	121.1687	0.205	55	121.1912	0.484	99	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H){1|C<4>,1|P<3>,2|C<3>,4|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	121.8890	0.038	2	121.2419	0.222	14	121.1687	0.205	55	121.1912	0.484	99	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H){1|C<4>,1|P<3>,2|C<3>,4|H<1>}	120.5420	0.100	2	121.2419	0.222	14	121.1687	0.205	55	121.1912	0.484	99	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H){1|Pd<5>,1|C<3>,1|C<4>,1|P<4>,4|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H){1|Pd<5>,1|C<3>,1|C<4>,1|P<4>,4|H<1>}	121.1840	0.222	2	121.2419	0.222	14	121.1687	0.205	55	121.1912	0.484	99	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H){1|Pd<6>,1|C<3>,1|C<4>,1|P<4>,4|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H){1|Pd<6>,1|C<3>,1|C<4>,1|P<4>,4|H<1>}	121.2625	0.427	4	121.2419	0.222	14	121.1687	0.205	55	121.1912	0.484	99	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H){3|H<1>,4|C<3>}	121.3075	0.366	2	121.2419	0.222	14	121.1687	0.205	55	121.1912	0.484	99	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	121.2370	0.000	1	121.4812	0.033	6	121.1687	0.205	55	121.1912	0.484	99	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	121.4370	0.000	1	121.4812	0.033	6	121.1687	0.205	55	121.1912	0.484	99	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	121.4410	0.000	1	121.4812	0.033	6	121.1687	0.205	55	121.1912	0.484	99	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	121.5555	0.238	2	121.4812	0.033	6	121.1687	0.205	55	121.1912	0.484	99	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	121.6610	0.000	1	121.4812	0.033	6	121.1687	0.205	55	121.1912	0.484	99	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,5|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	121.2050	0.000	1	121.1890	0.265	4	121.1687	0.205	55	121.1912	0.484	99	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	120.6680	0.000	1	121.1890	0.265	4	121.1687	0.205	55	121.1912	0.484	99	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H){2|C<3>,4|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H){3|C<3>,3|H<1>}	121.4415	0.629	2	121.1890	0.265	4	121.1687	0.205	55	121.1912	0.484	99	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]F)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]F){1|C<3>,1|C<4>,5|H<1>}	121.9770	0.000	1	121.9770	0.000	1	121.1687	0.205	55	121.1912	0.484	99	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	121.5020	0.000	1	121.2722	0.041	4	121.1687	0.205	55	121.1912	0.484	99	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,5|H<1>}	121.3680	0.000	1	121.2722	0.041	4	121.1687	0.205	55	121.1912	0.484	99	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H){2|C<3>,4|H<1>}	121.1095	0.090	2	121.2722	0.041	4	121.1687	0.205	55	121.1912	0.484	99	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|P<3>,4|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,5|H<1>}	121.2095	0.156	2	121.1553	0.133	12	121.1687	0.205	55	121.1912	0.484	99	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,5|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|P<3>,4|H<1>}	120.6790	0.033	2	121.1553	0.133	12	121.1687	0.205	55	121.1912	0.484	99	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,5|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	121.2550	0.028	2	121.1553	0.133	12	121.1687	0.205	55	121.1912	0.484	99	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,5|H<1>}	121.2170	0.034	2	121.1553	0.133	12	121.1687	0.205	55	121.1912	0.484	99	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|C<4>,4|H<1>}	121.2500	0.754	2	121.1553	0.133	12	121.1687	0.205	55	121.1912	0.484	99	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|C<4>,4|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	121.3215	0.556	2	121.1553	0.133	12	121.1687	0.205	55	121.1912	0.484	99	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]N[5a])(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]N[5a])(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	121.3610	0.574	2	121.3610	0.330	2	121.1687	0.205	55	121.1912	0.484	99	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]O)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,1|S<2>,3|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	121.0480	0.000	1	121.4305	0.293	2	121.1687	0.205	55	121.1912	0.484	99	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]O)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,1|S<2>,3|H<1>}	121.8130	0.000	1	121.4305	0.293	2	121.1687	0.205	55	121.1912	0.484	99	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[3x5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,6,6a]C[3x5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]C)(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[3x5,6]N[5,5,6]C[5,6a]C[5,5])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,6,6a]C[3x5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	C[5,6,6a](C[3x5,6]N[5,5,6]C[5,6a]C[5,5])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|S<4>,3|C<3>,3|C<4>,3|H<1>}	120.0860	0.000	1	120.0860	0.000	1	120.6050	1.617	3	121.2027	0.566	12	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[3x5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,6,6a]C[3x5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,6,6a]C[3x5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6,6a](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<3>,4|C<4>,5|H<1>}	120.8645	1.682	2	120.8645	2.830	2	120.6050	1.617	3	121.2027	0.566	12	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6,6]C[6a])(C[5,5,6]C[4,5,6]O[5,5]H)(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]C)(H)	C[5,6,6a](C[5,5,6,6]C[4,5,6,6]O[5,5]C[6])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,6,6a]C[5,5,6,6]C[6a])(C[5,5,6]C[4,5,6]O[5,5]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6,6a](C[5,5,6,6]C[4,5,6,6]O[5,5]C[6])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	121.3380	0.000	1	121.3380	0.000	1	121.3910	0.003	4	121.2027	0.566	12	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6,6]C[6a])(C[5,5,6]C[5,5,6]N[5,6]H)(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,6,6a]C[5,5,6,6]C[6a])(C[5,5,6]C[5,5,6]N[5,6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,5|H<1>}	121.4590	0.000	1	121.4590	0.000	1	121.3910	0.003	4	121.2027	0.566	12	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6,6]C[6a])(C[5,5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,6,6a]C[5,5,6,6]C[6a])(C[5,5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<3>,2|O<2>,5|H<1>}	121.3990	0.000	1	121.3990	0.000	1	121.3910	0.003	4	121.2027	0.566	12	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,6,6a]C[5,5,6,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){4|C<3>,6|H<1>}	121.3680	0.000	1	121.3680	0.000	1	121.3910	0.003	4	121.2027	0.566	12	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a,6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[5,5,6]O[5,5]H)(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a,6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a,6a]C[6a,6a]C[6a])	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[5,5,6]O[5,5]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a,6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,4|C<3>,4|H<1>}	121.9940	0.238	2	121.9940	0.056	2	121.9940	0.056	2	121.2027	0.566	12	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,5]C[5,6]Br)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H){3|Br<1>,1|C<3>,1|C<4>,4|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6,6a](C[5,5,6]C[5,5]C[5,6]Br)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|Br<1>,1|C<3>,1|C<4>,5|H<1>}	120.9130	0.000	1	120.9130	0.000	1	121.0220	0.183	3	121.2027	0.566	12	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	120.6590	0.000	1	120.6590	0.000	1	121.0220	0.183	3	121.2027	0.566	12	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]S)(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]N[6a]Cl)(H)	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]N[6a]Cl)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]S)(C[6a]C[6a]H){2|Cl<1>,1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]N[6a]Cl)(H){1|C<3>,1|O<2>,1|S<2>,2|C<4>}	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]N[6a]Cl){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	121.4940	0.000	1	121.4940	0.000	1	121.0220	0.183	3	121.2027	0.566	12	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:2:	3:4:2:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:N[6a]-2:	C[5,6,6a]-3:C[5,5,6]-4:N[6a]-2:	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]N[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]2)(N[6a]C[6a])	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]C)(N[6a]C[6a])	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]N[6a]){2|H<1>,3|C<3>,4|C<4>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]C)(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,3|C<4>,3|H<1>}	116.7710	0.000	1	116.7710	0.000	1	116.7710	0.000	1	116.7710	0.000	1	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:2:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:I-2:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]I)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(IC[6a])	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]I){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(IC[6a]){1|C<3>,2|H<1>,6|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]H){1|C<3>,1|I<2>,2|C<4>,5|H<1>}	119.0242	0.282	4	119.0242	0.080	4	119.0242	0.080	4	120.8881	4.932	28	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:2:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:O-2:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]O)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(OC)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]O)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]O){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(OC){1|C<3>,2|H<1>,6|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]O){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	121.2438	2.579	18	121.2438	6.650	18	121.2438	6.650	18	120.8881	4.932	28	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:2:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:O-2:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]O)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]O)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]O){1|Pt<7>,1|C<3>,1|C<4>,1|O<2>,1|O<3>,5|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<5>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]O){1|Pt<7>,1|C<3>,1|C<5>,1|O<2>,5|H<1>}	120.2980	0.000	1	120.4200	0.030	2	121.0637	0.703	6	120.8881	4.932	28	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:2:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:O-2:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]O)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]O)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]O){1|Pt<7>,1|C<3>,1|C<5>,1|O<2>,5|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,3|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]O){1|Pt<7>,1|C<3>,1|C<4>,1|O<2>,1|O<3>,5|H<1>}	120.5420	0.000	1	120.4200	0.030	2	121.0637	0.703	6	120.8881	4.932	28	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:2:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:O-2:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]O)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]S)(OH)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]O)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]O){1|O<2>,1|S<2>,2|C<3>,4|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]S)(OH){1|H<1>,1|S<2>,2|C<3>,2|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]O){1|O<2>,1|S<2>,2|C<3>,4|H<1>}	121.0180	0.000	1	121.0180	0.000	1	121.0637	0.703	6	120.8881	4.932	28	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:2:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:O-2:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]O)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]S)(OS)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]O)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]O){1|O<2>,1|S<2>,2|C<3>,4|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]S)(OS){1|H<1>,1|S<2>,2|C<3>,2|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]O){1|O<2>,1|S<2>,2|C<3>,4|H<1>}	121.5820	0.000	1	121.5820	0.000	1	121.0637	0.703	6	120.8881	4.932	28	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:2:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:O-2:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]O)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]O)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]O){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	120.4580	0.000	1	120.4580	0.000	1	121.0637	0.703	6	120.8881	4.932	28	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:2:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:O-2:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]O)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]O)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]O){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	122.4840	0.000	1	122.4840	0.000	1	121.0637	0.703	6	120.8881	4.932	28	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:2:	4:3:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:O-2:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]O)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OH)	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]C)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]O){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]C){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	121.6540	0.000	1	121.4210	0.109	2	121.4210	0.109	2	121.4210	0.109	2	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:2:	4:3:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:O-2:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]O)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OH)	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]C)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]O){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]C){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	121.1880	0.000	1	121.4210	0.109	2	121.4210	0.109	2	121.4210	0.109	2	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:3:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C-3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]C)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(CC[5a]2)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]C){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(CC[5a]2){1|C<3>,2|H<1>,6|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]H){2|C<3>,2|C<4>,5|H<1>}	121.8576	1.019	16	121.8576	1.038	16	121.8576	1.038	16	121.4752	1.458	26	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:3:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:I-3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]I)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(IOO)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]I){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(IOO){1|C<3>,2|H<1>,6|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]H){1|C<3>,1|I<3>,2|C<4>,5|H<1>}	119.0210	0.061	2	119.0210	0.004	2	119.0210	0.004	2	121.4752	1.458	26	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:3:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]C)(C[6a]C[6a]2)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]2)2	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]C)(C[6a]C[6a]2)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]C)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]2)2{2|C<4>,2|H<1>,8|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]C)(C[6a]C[6a]2){1|O<1>,2|C<4>,6|C<3>}	120.9470	0.000	1	120.0885	1.474	2	121.3238	0.900	8	121.4752	1.458	26	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:3:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]C)(C[6a]C[6a]2)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]2)2	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]C)(C[6a]C[6a]2)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]C)(C[6a]C[6a]2){1|O<1>,2|C<4>,6|C<3>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]2)2{2|C<4>,2|H<1>,8|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]C)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	119.2300	0.000	1	120.0885	1.474	2	121.3238	0.900	8	121.4752	1.458	26	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:3:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2){5|C<3>,5|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]2)(C[6a]C[6a]H){2|C<4>,4|C<3>,4|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2){5|C<3>,5|H<1>}	121.7355	0.389	6	121.7355	0.151	6	121.3238	0.900	8	121.4752	1.458	26	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:4:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:C-4:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]C)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]Br)(CH3)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]C)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]C){1|Br<1>,1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]Br)(CH3){1|Br<1>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]C){1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	123.6760	0.000	1	123.2125	0.430	2	123.2125	0.430	2	123.2125	0.430	2	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:4:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:C-4:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]C)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]Br)(CH3)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]C)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]C){1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]Br)(CH3){1|Br<1>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]C){1|Br<1>,1|C<2>,1|C<3>,2|C<4>,2|H<1>}	122.7490	0.000	1	123.2125	0.430	2	123.2125	0.430	2	123.2125	0.430	2	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:2:1:	3:4:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:N[6a]-2:Cl-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]N[6a]Cl)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(N[6a]C[6a])(Cl)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]S)(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]N[6a]Cl){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(N[6a]C[6a])(Cl){1|Cl<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]S)(C[6a]C[6a]H){2|Cl<1>,1|C<3>,1|C<4>,1|N<2>,2|H<1>}	117.3270	0.000	1	117.3270	0.000	1	117.3270	0.000	1	117.3270	0.000	1	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	Ge[5,5,6]-3:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,6,6a]Ge[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](Ge[5,5,6]N[5,5,6]N[5,5])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]C)	C[5,6,6a](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,6,6a]Ge[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<4>,2|H<1>,3|C<3>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|Ge<3>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6,6a](Ge[5,5,6]N[5,5,6]N[5,5])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]C){1|Ge<2>,1|C<3>,3|C<4>,3|H<1>}	121.6370	0.000	1	121.6370	0.000	1	121.6370	0.000	1	121.6370	0.000	1	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	3:4:3:	C[3x5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[3x5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6,6a]C[3x5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H)	C[5,6,6a](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<3>,4|C<4>,5|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[3x5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6,6a](C[5,6,6a]C[3x5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	121.1705	0.592	2	121.1705	0.350	2	121.3180	0.240	3	121.0232	0.313	9	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	3:4:3:	C[3x5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a](C[3x5,6]N[5,5,6]C[5,6a]C[5,5])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[3x5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6,6a]C[3x5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]C)(C[6a]C[6a]H)	C[5,6,6a](C[3x5,6]N[5,5,6]C[5,6a]C[5,5])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|S<4>,3|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[3x5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6,6a](C[5,6,6a]C[3x5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	121.6130	0.000	1	121.6130	0.000	1	121.3180	0.240	3	121.0232	0.313	9	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a](C[5,5,6,6]C[4,5,6,6]O[5,5]C[6])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,5,6,6]C[5,6,6a])(C[6a]C[6a]C)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6,6]C[6a])(C[5,5,6]C[4,5,6]O[5,5]H)(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6,6]C[4,5,6,6]O[5,5]C[6])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6,6a]C[5,5,6,6]C[5,6,6a])(C[6a]C[6a]C)(H){1|O<2>,2|C<3>,3|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6,6]C[6a])(C[5,5,6]C[4,5,6]O[5,5]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	120.1400	0.000	1	120.1400	0.000	1	120.5545	0.099	4	121.0232	0.313	9	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,5,6,6]C[5,6,6a])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6,6]C[6a])(C[5,5,6]C[5,5,6]N[5,6]H)(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[5,6,6a]C[5,5,6,6]C[5,6,6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6,6]C[6a])(C[5,5,6]C[5,5,6]N[5,6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	120.7400	0.000	1	120.7400	0.000	1	120.5545	0.099	4	121.0232	0.313	9	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,5,6,6]C[5,6,6a])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6,6]C[6a])(C[5,5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<3>,2|O<2>,5|H<1>}	C[6a](C[5,6,6a]C[5,5,6,6]C[5,6,6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6,6]C[6a])(C[5,5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	120.4880	0.000	1	120.4880	0.000	1	120.5545	0.099	4	121.0232	0.313	9	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,5,6,6]C[5,6,6a])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){4|C<3>,6|H<1>}	C[6a](C[5,6,6a]C[5,5,6,6]C[5,6,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H){4|C<3>,4|H<1>}	120.8500	0.000	1	120.8500	0.000	1	120.5545	0.099	4	121.0232	0.313	9	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	121.3010	0.000	1	121.3010	0.000	1	121.5185	0.095	2	121.0232	0.313	9	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,5]C[5,6]Br)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,5]C[5,6]Br)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|Br<1>,1|C<3>,1|C<4>,5|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,3|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H){3|Br<1>,1|C<3>,1|C<4>,4|H<1>}	121.7360	0.000	1	121.7360	0.000	1	121.5185	0.095	2	121.0232	0.313	9	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:2:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a,6a]-3:O-1:	C[5,5,6]-4:C[5,6,6a]-3:O[6a]-2:	C[5,6,6a](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]O[6a])(C[6a]C[6a,6a]O)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a])(O)	C[5,6,6a](C[5,5,6]C[5,5,6,6]O[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(O[6a]C[6a,6a])	C[5,6,6a](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]O[6a])(C[6a]C[6a,6a]O){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a])(O){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6,6a](C[5,5,6]C[5,5,6,6]O[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(O[6a]C[6a,6a]){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	121.8363	0.727	4	121.8363	0.528	4	121.8363	0.528	4	121.8363	0.528	4	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[3x5,6,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[3x5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[3x5,6,6]C[3,5,5,6,6]C[4x5]C[6])(C[5,6,6a]C[3x5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[3x5,6,6]C[5,6,6a])(C[6a]C[6a]H)(H)	C[5,6,6a](C[3x5,6]C[3,5,5,6]C[4x5]H)(C[5,6,6a]C[3x5,6,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[3x5,6,6]C[3,5,5,6,6]C[4x5]C[6])(C[5,6,6a]C[3x5,6]C[6a])(C[6a]C[6a]H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[6a](C[5,6,6a]C[3x5,6,6]C[5,6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	C[5,6,6a](C[3x5,6]C[3,5,5,6]C[4x5]H)(C[5,6,6a]C[3x5,6,6]C[6a])(C[6a]C[6a]H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	120.8000	0.000	1	120.8807	0.020	3	120.8807	0.020	3	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[3x5,6,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[3x5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[3x5,6,6]C[3,5,5,6,6]C[4x5]C[6])(C[5,6,6a]C[3x5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[3x5,6,6]C[5,6,6a])(C[6a]C[6a]H)(H)	C[5,6,6a](C[3x5,6]C[3,5,5,6]C[4x5]H)(C[5,6,6a]C[3x5,6,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[3x5,6,6]C[3,5,5,6,6]C[4x5]C[6])(C[5,6,6a]C[3x5,6]C[6a])(C[6a]C[6a]H){2|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[6a](C[5,6,6a]C[3x5,6,6]C[5,6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	C[5,6,6a](C[3x5,6]C[3,5,5,6]C[4x5]H)(C[5,6,6a]C[3x5,6,6]C[6a])(C[6a]C[6a]H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	120.9210	0.175	2	120.8807	0.020	3	120.8807	0.020	3	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[3x5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[3x5,6,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[3x5,6]C[3,5,5,6]C[4x5]H)(C[5,6,6a]C[3x5,6,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[3x5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[3x5,6,6]C[3,5,5,6,6]C[4x5]C[6])(C[5,6,6a]C[3x5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[3x5,6]C[3,5,5,6]C[4x5]H)(C[5,6,6a]C[3x5,6,6]C[6a])(C[6a]C[6a]H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[3x5,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6,6a](C[3x5,6,6]C[3,5,5,6,6]C[4x5]C[6])(C[5,6,6a]C[3x5,6]C[6a])(C[6a]C[6a]H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	120.8870	0.000	1	120.6307	0.172	3	120.6307	0.172	3	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[3x5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[3x5,6,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[3x5,6]C[3,5,5,6]C[4x5]H)(C[5,6,6a]C[3x5,6,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[3x5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[3x5,6,6]C[3,5,5,6,6]C[4x5]C[6])(C[5,6,6a]C[3x5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[3x5,6]C[3,5,5,6]C[4x5]H)(C[5,6,6a]C[3x5,6,6]C[6a])(C[6a]C[6a]H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[3x5,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6,6a](C[3x5,6,6]C[3,5,5,6,6]C[4x5]C[6])(C[5,6,6a]C[3x5,6]C[6a])(C[6a]C[6a]H){2|C<3>,2|O<2>,3|C<4>,5|H<1>}	120.5025	0.496	2	120.6307	0.172	3	120.6307	0.172	3	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[5,6,6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[5,6,6a]H)	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[5,6,6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(H){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[5,6,6a]H){1|C<4>,2|H<1>,3|C<3>}	122.4175	1.933	2	122.4175	3.735	2	122.4175	3.735	2	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[5,6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[5,6a]C[5,6a]C[5,5])(H)	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[5,6a]H)	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[5,6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[5,6a]C[5,6a]C[5,5])(H){1|H<1>,1|O<2>,2|C<3>,5|C<4>}	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[5,6a]H){2|C<3>,2|C<4>,3|H<1>}	121.5520	0.000	1	121.5520	0.000	1	121.5520	0.000	1	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a,6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a,6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a,6a]H)	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a,6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a])(H){1|C<4>,2|H<1>,5|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a,6a]H){1|O<1>,2|H<1>,4|C<3>}	121.0965	0.220	2	121.2776	0.074	8	121.2776	0.074	8	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a,6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a,6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a,6a]H)	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a,6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a])(H){1|C<4>,2|H<1>,5|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a,6a]H){2|H<1>,5|C<3>}	121.4000	0.035	2	121.2776	0.074	8	121.2776	0.074	8	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a,6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a,6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a,6a]H)	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a,6a]H){4|C<3>,4|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a])(H){2|C<4>,2|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a,6a]H){4|C<3>,4|H<1>}	121.3070	0.350	4	121.2776	0.074	8	121.2776	0.074	8	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:Cl-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]Cl)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]Cl)(Cl)	C[5,6,6a](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]Cl)	C[5,6,6a](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]Cl){2|Cl<1>,1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|H<1>,3|C<4>}	C[5,6,6a](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]Cl){2|Cl<1>,1|C<3>,2|C<4>,4|H<1>}	120.7615	0.810	2	120.7615	0.656	2	120.7615	0.656	2	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[3,3x5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[3,3x5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[3,3x5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6,6a](C[5,5,6]C[3,3x5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	121.1950	0.827	2	121.1950	0.684	2	120.9476	0.262	238	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[3,5,6]N[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[3,5,6]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[3,5,6]N[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6,6a](C[5,5,6]C[3,5,6]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	121.4550	0.000	1	121.4550	0.000	1	120.9476	0.262	238	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[3,5,6]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[3,5,6]N[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[3,5,6]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,5,6]C[3,5,6]N[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	120.5690	0.000	1	120.5690	0.000	1	120.9476	0.262	238	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[3,5,6]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[3,5,6]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[3,5,6]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,5,6]C[3,5,6]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	121.0330	0.212	2	121.0330	0.045	2	120.9476	0.262	238	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|Cl<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	120.9770	0.528	2	121.1100	0.124	6	120.9476	0.262	238	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|Cl<1>,2|C<4>,2|H<1>,4|C<3>}	121.0365	0.327	2	121.1100	0.124	6	120.9476	0.262	238	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	121.0920	0.000	1	121.1100	0.124	6	120.9476	0.262	238	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	121.5410	0.000	1	121.1100	0.124	6	120.9476	0.262	238	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	121.1015	0.363	2	121.1015	0.132	2	120.9476	0.262	238	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	121.1000	0.000	1	120.9420	0.050	2	120.9476	0.262	238	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	120.7840	0.000	1	120.9420	0.050	2	120.9476	0.262	238	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[4,5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[4,5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[4,5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6,6a](C[5,5,6]C[4,5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	121.4550	0.196	9	121.4550	0.038	9	120.9476	0.262	238	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,5,3x6]C[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,5,3x6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,5,3x6]C[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	C[5,6,6a](C[5,5,6]C[5,5,3x6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	120.5770	0.173	2	120.5770	0.030	2	120.9476	0.262	238	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,5,3x6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,5,3x6]C[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,5,3x6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6,6a](C[5,5,6]C[5,5,3x6]C[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	121.8965	0.218	2	121.8965	0.048	2	120.9476	0.262	238	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,5,3x6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,5,3x6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,5,3x6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,5,6]C[5,5,3x6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	121.3845	0.084	2	121.3845	0.007	2	120.9476	0.262	238	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6,6a](C[5,5,6]C[5,5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	120.1715	0.354	2	121.0767	0.352	16	120.9476	0.262	238	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6,6a](C[5,5,6]C[5,5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	121.6525	0.136	2	121.0767	0.352	16	120.9476	0.262	238	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6,6a](C[5,5,6]C[5,5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	121.1316	0.505	12	121.0767	0.352	16	120.9476	0.262	238	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	121.1126	0.288	8	121.1126	0.083	8	120.9476	0.262	238	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6,6a](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	121.0520	0.000	1	121.0177	0.002	3	120.9476	0.262	238	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6,6a](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,6|H<1>}	121.0005	0.037	2	121.0177	0.002	3	120.9476	0.262	238	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,5,6]N[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,5,6]N[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6,6a](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	120.3300	0.000	1	120.3300	0.000	1	120.9476	0.262	238	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,5,6]N[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,5,6]C[5,5,6]N[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	121.5800	0.000	1	121.5800	0.000	1	120.9476	0.262	238	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	121.0935	0.402	2	121.0557	0.036	6	120.9476	0.262	238	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	121.0367	0.069	4	121.0557	0.036	6	120.9476	0.262	238	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	121.4760	0.000	1	121.4280	0.005	2	120.9476	0.262	238	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	121.3800	0.000	1	121.4280	0.005	2	120.9476	0.262	238	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	121.3872	0.125	6	121.3872	0.016	6	120.9476	0.262	238	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]Br)(H)	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]Br)(H){1|Br<1>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	121.5310	0.000	1	121.6165	0.015	2	120.9476	0.262	238	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]Br)(H)	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]Br)(H){1|Br<1>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	121.7020	0.000	1	121.6165	0.015	2	120.9476	0.262	238	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	121.3010	0.000	1	121.3165	0.000	2	120.9476	0.262	238	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	121.3320	0.000	1	121.3165	0.000	2	120.9476	0.262	238	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]Si)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]Si)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]Si)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|Si<4>,1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]Si)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|Si<4>,1|C<4>,2|C<3>,3|H<1>}	120.7785	0.131	2	120.7785	0.017	2	120.9476	0.262	238	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	120.9386	0.106	8	120.9386	0.011	8	120.9476	0.262	238	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	121.1793	0.347	3	121.1765	0.162	10	120.9476	0.262	238	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,5|C<3>}	121.3053	0.401	3	121.1765	0.162	10	120.9476	0.262	238	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	121.2100	0.547	2	121.1765	0.162	10	120.9476	0.262	238	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	120.9455	0.660	2	121.1765	0.162	10	120.9476	0.262	238	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	120.1320	0.000	1	120.1320	0.000	1	120.9476	0.262	238	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	121.5100	0.757	2	121.3379	0.132	8	120.9476	0.262	238	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	121.0960	0.000	1	121.3379	0.132	8	120.9476	0.262	238	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	121.2390	0.235	2	121.3379	0.132	8	120.9476	0.262	238	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	121.5025	0.223	2	121.3379	0.132	8	120.9476	0.262	238	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	121.1040	0.000	1	121.3379	0.132	8	120.9476	0.262	238	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,6,6]S[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6,6]S[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,6,6]S[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,1|S<2>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,5,6]C[5,6,6]S[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	120.9020	0.075	2	120.9020	0.006	2	120.9476	0.262	238	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|Sn<4>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|Sn<4>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	120.7390	0.417	12	120.7390	0.174	12	120.9476	0.262	238	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	120.4905	0.366	2	120.4905	0.134	2	120.9476	0.262	238	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	120.6690	0.556	2	120.8178	0.149	4	120.9476	0.262	238	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	120.9665	0.224	2	120.8178	0.149	4	120.9476	0.262	238	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,6,6a]Ge[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]Ge[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,6,6a]Ge[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|Ge<4>,1|C<4>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,5,6]C[5,6,6a]Ge[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	120.1553	0.084	3	120.1553	0.007	3	120.9476	0.262	238	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|Mn<4>,3|C<3>,3|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|Mn<4>,3|C<3>,3|H<1>}	121.0083	0.268	4	121.1529	0.164	19	120.9476	0.262	238	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	121.3090	0.380	8	121.1529	0.164	19	120.9476	0.262	238	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|Ni<3>,3|C<3>,3|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|Ni<3>,3|C<3>,3|H<1>}	120.9165	0.628	4	121.1529	0.164	19	120.9476	0.262	238	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|P<3>,3|C<3>,3|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|P<3>,3|C<3>,3|H<1>}	121.2447	0.104	3	121.1529	0.164	19	120.9476	0.262	238	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	121.0607	0.650	12	121.0607	0.422	12	120.9476	0.262	238	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,6|C<3>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O){2|H<1>,6|C<3>}	122.2140	0.000	1	122.2140	0.000	1	120.9476	0.262	238	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,6,6a]P[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]P[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,6,6a]P[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|Ni<4>,3|C<3>,3|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,5,6]C[5,6,6a]P[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|Ni<4>,3|C<3>,3|H<1>}	120.5904	0.395	26	120.6101	0.137	50	120.9476	0.262	238	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,6,6a]P[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]P[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,6,6a]P[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|Cl<1>,3|C<3>,3|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<4>,1|P<3>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,5,6]C[5,6,6a]P[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|Cl<1>,3|C<3>,3|H<1>}	120.7635	0.217	4	120.6101	0.137	50	120.9476	0.262	238	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,6,6a]P[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]P[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,6,6a]P[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<4>,1|P<3>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,5,6]C[5,6,6a]P[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	120.5607	0.293	8	120.6101	0.137	50	120.9476	0.262	238	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,6,6a]P[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]P[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,6,6a]P[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|Ni<6>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,5,6]C[5,6,6a]P[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|Ni<6>,1|N<3>,3|C<3>,3|H<1>}	120.5801	0.467	8	120.6101	0.137	50	120.9476	0.262	238	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,6,6a]P[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]P[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,6,6a]P[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|S<1>,3|C<3>,4|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,5,6]C[5,6,6a]P[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|S<1>,3|C<3>,4|H<1>}	120.7435	0.333	4	120.6101	0.137	50	120.9476	0.262	238	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,6,6a]Si[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]Si[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,6,6a]Si[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|Si<3>,1|C<4>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,5,6]C[5,6,6a]Si[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	120.2343	0.495	4	120.2626	0.135	11	120.9476	0.262	238	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,6,6a]Si[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]Si[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,6,6a]Si[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|Si<4>,1|C<4>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,5,6]C[5,6,6a]Si[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	120.1493	0.074	3	120.2626	0.135	11	120.9476	0.262	238	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,6,6a]Si[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]Si[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,6,6a]Si[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|Si<4>,1|C<4>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,5,6]C[5,6,6a]Si[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){4|C<3>,4|H<1>}	120.3760	0.413	4	120.2626	0.135	11	120.9476	0.262	238	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	121.2180	0.000	1	121.2180	0.000	1	120.9476	0.262	238	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|P<4>,2|H<1>,6|C<3>}	120.6227	0.347	3	120.9948	0.403	12	120.9476	0.262	238	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|S<4>,2|H<1>,5|C<3>}	122.4230	0.000	1	120.9948	0.403	12	120.9476	0.262	238	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){3|H<1>,6|C<3>}	120.9800	0.000	1	120.9948	0.403	12	120.9476	0.262	238	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|P<4>,2|H<1>,6|C<3>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	121.0533	0.302	3	120.9948	0.403	12	120.9476	0.262	238	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|S<4>,2|H<1>,5|C<3>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	119.8930	0.000	1	120.9948	0.403	12	120.9476	0.262	238	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	121.0705	0.303	2	120.9948	0.403	12	120.9476	0.262	238	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	121.4730	0.000	1	120.9948	0.403	12	120.9476	0.262	238	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]O[5,5]P[5,6]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|P<4>,4|C<3>,4|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6,6a](C[5,5,6]O[5,5]P[5,6]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|W<6>,2|H<1>,4|C<3>}	121.5520	0.000	1	121.5520	0.000	1	120.9476	0.262	238	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]O[5,5]P[5,6]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]O[5,5]P[5,6]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|W<6>,2|H<1>,4|C<3>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,1|P<4>,2|C<3>}	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|P<4>,4|C<3>,4|H<1>}	121.0190	0.000	1	121.0190	0.000	1	120.9476	0.262	238	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[6a,6a]-3:C[5,6,6a]-3:	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a,6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[6a,6a]C[5,6,6a]C[6a,6a])(C[5,6,6a]C[5,5,6]C[6a])	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a]C[6a]H){1|H<1>,7|C<3>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a,6a]H)(H){1|C<4>,1|O<2>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[6a,6a]C[5,6,6a]C[6a,6a])(C[5,6,6a]C[5,5,6]C[6a]){1|C<4>,1|H<1>,8|C<3>}	123.4330	0.078	2	123.4330	0.006	2	123.4330	0.006	2	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	P[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]C[6a])(C[5,6,6a]P[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](P[5,5,6]C[5,6,6]O[5,5]Mo)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]C[6a])(C[5,6,6a]P[5,5,6]C[6a])(C[6a]C[6a]H){1|Mo<6>,1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,1|P<4>,2|C<3>}	C[5,6,6a](P[5,5,6]C[5,6,6]O[5,5]Mo)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	120.0430	0.000	1	120.0430	0.000	1	120.0430	0.000	1	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:1:	4:3:3:	P[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](P[5,5,6]C[5,6,6]O[5,5]Mo)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]P[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]C[6a])(C[5,6,6a]P[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](P[5,5,6]C[5,6,6]O[5,5]Mo)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]P[5,5,6])(C[6a]C[6a]H)(H){1|Mo<6>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]C[6a])(C[5,6,6a]P[5,5,6]C[6a])(C[6a]C[6a]H){1|Mo<6>,1|C<4>,3|H<1>,4|C<3>}	121.2200	0.000	1	121.2200	0.000	1	121.2200	0.000	1	120.9821	0.332	261	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:2:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:O-2:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[5,6,6a]O)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(OC)	C[5,6,6a](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[5,6,6a]O)	C[5,6,6a](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[5,6,6a]O){4|Cl<1>,1|C<4>,1|O<2>,2|C<3>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(OC){2|Cl<1>,3|C<3>,4|C<4>}	C[5,6,6a](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[5,6,6a]O){4|Cl<1>,1|C<4>,1|O<2>,2|C<3>}	121.8490	0.486	4	121.8490	0.236	4	121.8490	0.236	4	121.0426	1.022	19	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:2:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:O-2:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC)	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	120.6210	0.000	1	120.6210	0.000	1	120.8275	1.029	15	121.0426	1.022	19	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:2:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:O-2:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC)	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	121.6070	0.000	1	121.6070	0.000	1	120.8275	1.029	15	121.0426	1.022	19	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:2:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:O-2:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC)	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	121.8940	0.423	2	121.8940	0.179	2	120.8275	1.029	15	121.0426	1.022	19	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:2:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:O-2:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC)	C[5,6,6a](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)	C[5,6,6a](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,3|C<4>}	C[5,6,6a](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	119.6390	0.875	2	119.6390	0.766	2	120.8275	1.029	15	121.0426	1.022	19	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:2:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:O-2:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC)	C[5,6,6a](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)	C[5,6,6a](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|O<2>,3|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC){1|Cl<1>,1|C<3>,1|H<1>,3|C<4>}	C[5,6,6a](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O){2|Cl<1>,1|C<3>,1|C<4>,1|O<2>,4|H<1>}	120.6970	0.000	1	120.6970	0.000	1	120.8275	1.029	15	121.0426	1.022	19	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:2:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:O-2:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC)	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	120.6170	0.000	1	120.6170	0.000	1	120.8275	1.029	15	121.0426	1.022	19	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:2:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:O-2:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC)	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	122.4230	0.000	1	122.4230	0.000	1	120.8275	1.029	15	121.0426	1.022	19	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:2:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:O-2:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC)	C[5,6,6a](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)	C[5,6,6a](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O){2|Cl<1>,1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC){1|Cl<1>,1|C<3>,1|H<1>,3|C<4>}	C[5,6,6a](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|O<2>,3|H<1>}	121.6250	0.000	1	121.6250	0.000	1	120.8275	1.029	15	121.0426	1.022	19	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:2:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:O-2:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC)	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O){1|O<2>,3|C<3>,4|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O){1|O<2>,3|C<3>,4|H<1>}	120.2425	1.015	4	120.2425	1.031	4	120.8275	1.029	15	121.0426	1.022	19	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:2:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:O-2:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC)	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O){2|H<1>,6|C<3>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,6|C<3>}	120.7870	0.000	1	120.7870	0.000	1	120.8275	1.029	15	121.0426	1.022	19	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:3:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[5,6,6a](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a,6a]C[6a])	C[5,6,6a](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a,6a]C[6a]){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){3|C<4>,4|H<1>,5|C<3>}	C[5,6,6a](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a,6a]C[6a]){1|C<4>,4|H<1>,6|C<3>}	122.1153	0.333	4	122.1153	0.111	4	122.1153	0.111	4	122.1153	0.111	4	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:4:	3:4:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:C-4:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(CCHH)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]O)	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]C){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(CCHH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]O){2|C<3>,2|H<1>,3|C<4>}	121.7430	0.000	1	121.5915	0.046	2	121.5915	0.046	2	121.5915	0.046	2	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6,6a]	C[6a]	C[5,6,6a]	4:3:3:	3:3:4:	3:4:3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:C-4:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(CCHH)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]O)	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]C){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(CCHH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]O){2|C<4>,2|H<1>,3|C<3>}	121.4400	0.000	1	121.5915	0.046	2	121.5915	0.046	2	121.5915	0.046	2	121.0284	0.900	483	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3x6a]-3:	C[3x6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-3:	C[5,6a,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6,6a]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[5,6,6]C[5,6,6]2)	C[5,6a,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[3x6a]C[5a,6a,6a]C[3x6a]){2|C<4>,6|C<3>}	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6,6a]2){9|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[5,6,6]C[5,6,6]2){2|C<4>,7|C<3>}	121.2300	0.000	1	121.2300	0.000	1	121.2300	0.000	1	121.5787	0.216	17	121.9380	0.380	63	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3x6a]-3:	C[3x6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[6,6a,6a]-3:C[5,6a,6a]-3:C[5,6,6]-3:	C[5,6a,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6,6a]2)	C[5,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[5,6,6]C[5,6,6]2)	C[5,6a,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[3x6a]C[5a,6a,6a]C[3x6a]){2|C<4>,6|C<3>}	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6,6a]2){9|C<3>}	C[5,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[5,6,6]C[5,6,6]2){2|C<4>,7|C<3>}	121.2780	0.000	1	121.2780	0.000	1	121.2780	0.000	1	121.5787	0.216	17	121.9380	0.380	63	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-3:	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[5a,6a,6a]C[5a,6,6a]2)(C[5,6a,6a]C[5,6,6a]2)(C[3x6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[5,6,6]C[5,6,6]2)	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[3x6a]C[5a,6a,6a]C[3x6a]){3|C<4>,5|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6,6a]2)(C[5,6a,6a]C[5,6,6a]2)(C[3x6a]C[5,6a,6a]2){9|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	122.1250	0.000	1	122.1250	0.000	1	122.1250	0.000	1	121.5787	0.216	17	121.9380	0.380	63	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[6,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-3:	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[5a,6a,6a]C[5a,6,6a]2)(C[5,6a,6a]C[5,6,6a]2)(C[3x6a]C[5,6a,6a]2)	C[5,6,6a](C[6,6,6a]C[5a,6,6a]C[6,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[5,6,6]C[5,6,6]2)	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[3x6a]C[5a,6a,6a]C[3x6a]){3|C<4>,5|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6,6a]2)(C[5,6a,6a]C[5,6,6a]2)(C[3x6a]C[5,6a,6a]2){9|C<3>}	C[5,6,6a](C[6,6,6a]C[5a,6,6a]C[6,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[5,6,6]C[5,6,6]2){2|C<4>,7|C<3>}	121.2840	0.000	1	121.2840	0.000	1	121.2840	0.000	1	121.5787	0.216	17	121.9380	0.380	63	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-3:	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[5a,6a,6a]2)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){1|C<4>,7|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[5a,6a,6a]2){9|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]){1|C<4>,8|C<3>}	122.1955	0.019	2	122.1955	0.000	2	122.1955	0.000	2	121.5787	0.216	17	121.9380	0.380	63	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6,6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]2)	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]2){1|C<4>,7|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2){9|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]C[3x6a]){1|C<4>,8|C<3>}	121.4930	0.000	1	121.9280	0.378	2	121.9280	0.378	2	121.5787	0.216	17	121.9380	0.380	63	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6,6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]2)	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]2){1|C<4>,7|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2){9|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]C[3x6a]){2|C<4>,7|C<3>}	122.3630	0.000	1	121.9280	0.378	2	121.9280	0.378	2	121.5787	0.216	17	121.9380	0.380	63	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6,6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]2)	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]2){8|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2){9|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]C[3x6a]){1|C<4>,7|C<3>}	121.2630	0.000	1	121.2630	0.000	1	121.2630	0.000	1	121.5787	0.216	17	121.9380	0.380	63	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]2)	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,3x6])(C[5,6a,6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]2){1|C<4>,7|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5,6a,6a]2){9|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,3x6])(C[5,6a,6a]C[5,6a,6a]C[3x6a]){2|C<4>,7|C<3>}	121.0240	0.000	1	121.0240	0.000	1	121.0240	0.000	1	121.5787	0.216	17	121.9380	0.380	63	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6,6a]-3:	C[5,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]2)	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6,6a]C[5,5,6,6]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]2){1|C<4>,7|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[5,6a,6a]2){9|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6,6]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a]){1|C<4>,1|N<3>,7|C<3>}	121.5990	0.045	2	121.5990	0.002	2	121.6713	0.008	4	121.5787	0.216	17	121.9380	0.380	63	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6,6a]-3:	C[5,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]2)	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,3x6])(C[5,6a,6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]2){1|C<4>,7|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[5,6a,6a]2){9|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,3x6])(C[5,6a,6a]C[5,6a,6a]C[3x6a]){2|C<4>,7|C<3>}	121.7340	0.000	1	121.7340	0.000	1	121.6713	0.008	4	121.5787	0.216	17	121.9380	0.380	63	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6,6a]-3:	C[5,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]2)	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]2){1|C<4>,7|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[5,6a,6a]2){9|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]C[3x6a]){1|C<4>,8|C<3>}	121.7530	0.000	1	121.7530	0.000	1	121.6713	0.008	4	121.5787	0.216	17	121.9380	0.380	63	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6,6a]-3:	C[5a,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]2)	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]2){1|C<4>,7|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5,6a,6a]2){9|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]C[3x6a]){1|C<4>,8|C<3>}	121.5070	0.000	1	121.5070	0.000	1	121.5070	0.000	1	121.5787	0.216	17	121.9380	0.380	63	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2){9|C<3>}	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a]){1|C<4>,7|C<3>}	121.0975	0.739	2	121.0975	0.546	2	121.0975	0.546	2	121.5787	0.216	17	121.9380	0.380	63	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5a,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-4:	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){2|C<4>,7|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2){1|C<4>,8|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|O<2>,8|C<3>}	122.9945	0.200	2	122.9945	0.040	2	122.9945	0.040	2	122.1270	0.213	19	121.9380	0.380	63	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-4:	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])2(C[3x6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){2|C<4>,7|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])2(C[3x6a]C[5,6a,6a]2){2|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|C<4>,8|C<3>}	121.7660	0.058	2	121.7698	0.010	4	121.8198	0.012	6	122.1270	0.213	19	121.9380	0.380	63	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-4:	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])2(C[3x6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){2|C<4>,7|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])2(C[3x6a]C[5,6a,6a]2){2|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){2|C<4>,7|C<3>}	121.7735	0.159	2	121.7698	0.010	4	121.8198	0.012	6	122.1270	0.213	19	121.9380	0.380	63	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-4:	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])2(C[3x6a]C[5a,6a,6a]C[5,6a,6a])	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){1|C<4>,8|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])2(C[3x6a]C[5a,6a,6a]C[5,6a,6a]){2|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|C<4>,7|C<3>}	121.9340	0.000	1	121.9340	0.000	1	121.8198	0.012	6	122.1270	0.213	19	121.9380	0.380	63	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-4:	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])2(C[3x6a]C[5a,6a,6a]C[5,6a,6a])	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){1|C<4>,8|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])2(C[3x6a]C[5a,6a,6a]C[5,6a,6a]){2|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){8|C<3>}	121.9060	0.000	1	121.9060	0.000	1	121.8198	0.012	6	122.1270	0.213	19	121.9380	0.380	63	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5a,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-4:	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])2(C[3x6a]C[5a,6a,6a]2)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){2|C<4>,7|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])2(C[3x6a]C[5a,6a,6a]2){2|C<4>,7|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|O<2>,8|C<3>}	122.2805	0.361	4	122.2805	0.130	4	122.2495	0.085	6	122.1270	0.213	19	121.9380	0.380	63	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5a,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-4:	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])2(C[3x6a]C[5a,6a,6a]C[5,6a,6a])	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){1|C<4>,8|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])2(C[3x6a]C[5a,6a,6a]C[5,6a,6a]){2|C<4>,7|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|C<4>,7|C<3>}	122.2920	0.000	1	122.2920	0.000	1	122.2495	0.085	6	122.1270	0.213	19	121.9380	0.380	63	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5a,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-4:	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])2(C[3x6a]C[5a,6a,6a]C[5,6a,6a])	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){1|C<4>,8|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])2(C[3x6a]C[5a,6a,6a]C[5,6a,6a]){2|C<4>,7|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){8|C<3>}	122.0830	0.000	1	122.0830	0.000	1	122.2495	0.085	6	122.1270	0.213	19	121.9380	0.380	63	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-4:	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]2)	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){1|C<4>,8|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]2){11|C<3>}	121.1900	0.000	1	121.1900	0.000	1	121.7100	0.541	2	122.1270	0.213	19	121.9380	0.380	63	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-4:	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){2|C<4>,7|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|O<2>,8|C<3>}	122.2300	0.000	1	122.2300	0.000	1	121.7100	0.541	2	122.1270	0.213	19	121.9380	0.380	63	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5a,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-4:	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){2|C<4>,7|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a]){1|C<4>,8|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|O<2>,8|C<3>}	122.4740	0.000	1	122.4740	0.000	1	122.4740	0.000	1	122.1270	0.213	19	121.9380	0.380	63	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[6,6a,6a]-3:C[5,6a,6a]-3:C[5,6,6]-4:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[3x6a]C[5,6a,6a]C[3x6a]){1|C<4>,8|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){8|C<3>}	122.3110	0.000	1	122.3110	0.000	1	122.3110	0.000	1	122.1270	0.213	19	121.9380	0.380	63	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])2(C[3x6a]C[5a,6a,6a]C[5,6a,6a])	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[3x6a]C[5,6a,6a]C[3x6a]){1|C<4>,8|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])2(C[3x6a]C[5a,6a,6a]C[5,6a,6a]){2|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|C<4>,7|C<3>}	121.8030	0.000	1	121.8030	0.000	1	121.8030	0.000	1	122.1270	0.213	19	121.9380	0.380	63	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[6,6,6a]-3:C[5,5,6]-4:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6,6a]C[6,6,6a]C[5,5,6])2(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6,6a]2)	C[5,6,6a](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6a,6a]C[5,6,6a]C[3x6a])	C[5,6a,6a](C[5,6,6a]C[6,6,6a]C[5,5,6])2(C[3x6a]C[5,6a,6a]C[3x6a]){2|Cl<1>,1|C<4>,7|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6,6a]2){3|C<4>,6|C<3>}	C[5,6,6a](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6a,6a]C[5,6,6a]C[3x6a]){1|Cl<1>,8|C<3>}	121.8740	0.238	2	121.8740	0.056	2	121.8740	0.056	2	122.1304	0.104	5	121.9380	0.380	63	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[6,6a,6a]-3:	C[6,6a,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[3x6a]C[6,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]2)	C[5,6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6a,6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[3x6a]C[6,6a,6a]C[3x6a]){1|Cl<1>,8|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]2){1|C<4>,8|C<3>}	C[5,6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6a,6a]C[5,6a,6a]C[3x6a]){1|C<4>,7|C<3>}	122.4450	0.124	2	122.4450	0.015	2	122.4450	0.015	2	122.1304	0.104	5	121.9380	0.380	63	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[6,6a,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5a,6a,6a]2)	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]O)(C[5,6a,6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[3x6a]C[5,6a,6a]C[3x6a]){1|O<2>,8|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5a,6a,6a]2){1|C<4>,8|C<3>}	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]O)(C[5,6a,6a]C[5,6a,6a]C[3x6a]){8|C<3>}	122.0140	0.000	1	122.0140	0.000	1	122.0140	0.000	1	122.1304	0.104	5	121.9380	0.380	63	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6,6a]	3:3:3:	3:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5,5,6]-4:C[5,6a,6a]-3:C[6,6,6a]-3:	C[5,6a,6a](C[5,6,6a]C[6,6,6a]C[5,5,6])2(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6,6a]2)	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])	C[5,6a,6a](C[5,6,6a]C[6,6,6a]C[5,5,6])2(C[3x6a]C[5,6a,6a]C[3x6a]){2|Cl<1>,1|C<4>,7|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6,6a]2){3|C<4>,6|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[6,6,6a]C[5,6,6a]C[5,6,6]){2|Cl<1>,1|C<4>,7|C<3>}	121.0075	0.452	2	121.0075	0.204	2	121.0075	0.204	2	122.0085	0.605	22	121.9380	0.380	63	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6,6a]	3:3:3:	3:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[5,6,6a]C[6,6,6a]C[5,5,6])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6,6a]2)2(C[3x6a]C[5,6a,6a]2)	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,5,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[5,6,6a]C[6,6,6a]C[5,5,6])(C[3x6a]C[5,6a,6a]C[3x6a]){2|Cl<1>,2|C<4>,6|C<3>}	C[3x6a](C[5,6a,6a]C[5,6,6a]2)2(C[3x6a]C[5,6a,6a]2){4|C<4>,5|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,5,6])(C[5,6a,6a]C[5,6,6a]C[3x6a]){2|Cl<1>,1|C<4>,7|C<3>}	122.0830	0.000	1	122.0830	0.000	1	122.0830	0.000	1	122.0085	0.605	22	121.9380	0.380	63	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6,6a]	3:3:3:	3:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,5,6]-4:C[5,6a,6a]-3:C[6,6,6a]-3:	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[5,6,6a]C[6,6,6a]C[5,5,6])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6,6a]2)2(C[3x6a]C[5,6a,6a]2)	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[5,6,6a]C[6,6,6a]C[5,5,6])(C[3x6a]C[5,6a,6a]C[3x6a]){2|Cl<1>,2|C<4>,6|C<3>}	C[3x6a](C[5,6a,6a]C[5,6,6a]2)2(C[3x6a]C[5,6a,6a]2){4|C<4>,5|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[6,6,6a]C[5,6,6a]C[5,6,6]){2|Cl<1>,1|C<4>,7|C<3>}	120.3930	0.000	1	120.3930	0.000	1	120.3930	0.000	1	122.0085	0.605	22	121.9380	0.380	63	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6,6a]	3:3:3:	3:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5,3x6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,3x6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,3x6]C[5,6,6a]C[5,3x6]C[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,3x6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){2|C<4>,7|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[5,6,6a](C[5,3x6]C[5,6,6a]C[5,3x6]C[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a]){2|C<4>,2|F<1>,8|C<3>}	123.0740	0.000	1	123.0740	0.000	1	123.0740	0.000	1	122.0085	0.605	22	121.9380	0.380	63	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6,6a]	3:3:3:	3:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6,6a]C[5,5,6,6]C[5,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]N[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6,6a]C[5,5,6,6]C[5,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){1|C<4>,1|N<3>,7|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]N[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a]){10|C<3>,1|N<2>}	122.2705	0.438	2	122.2705	0.192	2	122.2705	0.192	2	122.0085	0.605	22	121.9380	0.380	63	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6,6a]	3:3:3:	3:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5a,6,6]C[5,6,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){1|C<4>,8|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5a,6,6]C[5,6,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a]){11|C<3>}	121.8680	0.000	1	121.8680	0.000	1	121.8680	0.000	1	122.0085	0.605	22	121.9380	0.380	63	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6,6a]	3:3:3:	3:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){3|C<4>,6|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2){1|C<4>,8|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a]){3|C<4>,8|C<3>}	123.3250	0.000	1	123.3250	0.000	1	123.3250	0.000	1	122.0085	0.605	22	121.9380	0.380	63	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6,6a]	3:3:3:	3:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,3x6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,3x6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5,6a,6a]2)	C[5,6,6a](C[5,3x6]C[5,6,6a]C[5,3x6]C[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,3x6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){2|C<4>,7|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[5,6,6a](C[5,3x6]C[5,6,6a]C[5,3x6]C[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a]){2|C<4>,2|F<1>,8|C<3>}	121.0720	0.000	1	121.0720	0.000	1	121.0720	0.000	1	122.0085	0.605	22	121.9380	0.380	63	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6,6a]	3:3:3:	3:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,4x6]-4:C[5a,6,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,4x6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])2(C[3x6a]C[5a,6a,6a]2)	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]C[3x6])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,4x6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){2|C<4>,7|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])2(C[3x6a]C[5a,6a,6a]2){2|C<4>,7|C<3>}	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]C[3x6])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a]){10|C<3>,1|C<4>,1|H<1>}	122.5300	0.000	1	122.5300	0.000	1	122.5300	0.000	1	122.0085	0.605	22	121.9380	0.380	63	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6,6a]	3:3:3:	3:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[3,5,6,6]-4:C[5a,6,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6,6a]C[3,5,6,6]C[5a,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[5a,6a,6a]2)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6,6a]C[3,5,6,6]C[5a,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){2|C<4>,7|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[5a,6a,6a]2){1|C<4>,8|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a]){2|C<4>,8|C<3>}	122.1240	0.041	2	122.1240	0.002	2	122.1240	0.002	2	122.0085	0.605	22	121.9380	0.380	63	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6,6a]	3:3:3:	3:3:3:	4:3:3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[3x6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[3x6a]C[3x6a]2)	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5,6a,6a]C[3x6a])2	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[3x6a]C[3x6a]2){2|C<4>,7|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5,6a,6a]C[3x6a])2{1|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]C[3x6a]){1|C<4>,8|C<3>}	122.7700	0.000	1	122.7700	0.000	1	122.6040	0.055	2	122.0085	0.605	22	121.9380	0.380	63	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6,6a]	3:3:3:	3:3:3:	4:3:3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[3x6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[3x6a]C[3x6a]2)	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[3x6a]C[3x6a]2){2|C<4>,7|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){1|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]C[3x6a]){1|C<4>,8|C<3>}	122.4380	0.000	1	122.4380	0.000	1	122.6040	0.055	2	122.0085	0.605	22	121.9380	0.380	63	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6,6a]	3:3:3:	3:3:3:	4:3:3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5,6,6]-4:C[5,6a,6a]-3:C[6,6,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6,6a]2)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[3x6a]C[5,6a,6a]C[3x6a]){1|Cl<1>,1|C<4>,7|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6,6a]2){3|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[6,6,6a]C[5,6,6a]C[5,6,6]){1|Cl<1>,1|C<4>,7|C<3>}	121.4350	0.583	2	121.4350	0.339	2	121.4350	0.339	2	122.0085	0.605	22	121.9380	0.380	63	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6,6a]	3:3:3:	3:3:3:	4:3:3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6,6]-4:C[5,6a,6a]-3:C[6,6,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])2(C[3x6a]C[5a,6a,6a]C[5,6a,6a])	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5a,6,6]C)(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[3x6a]C[5,6a,6a]C[3x6a]){1|C<4>,8|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])2(C[3x6a]C[5a,6a,6a]C[5,6a,6a]){2|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5a,6,6]C)(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a]){1|C<4>,7|C<3>}	121.8250	0.000	1	121.8250	0.000	1	121.8250	0.000	1	122.0085	0.605	22	121.9380	0.380	63	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6,6a]	3:3:3:	3:3:3:	4:3:3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[3x6a]-3:	C[5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[3x6a]C[6,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[3x6a]C[5,6a,6a]C[6,6a,6a])	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])	C[5,6a,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[3x6a]C[6,6a,6a]C[3x6a]){1|Cl<1>,1|C<4>,7|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[3x6a]C[5,6a,6a]C[6,6a,6a]){2|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]C[5,6,6]){1|Cl<1>,1|C<4>,7|C<3>}	122.8235	0.418	2	122.8235	0.175	2	122.8235	0.175	2	122.0085	0.605	22	121.9380	0.380	63	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6,6a]	3:3:3:	3:3:3:	4:3:3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[3x6a]-3:	C[5,6,6]-4:C[5,6a,6a]-3:C[6,6,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[3x6a]C[6,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[3x6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[3x6a]C[6,6a,6a]C[3x6a]){1|Cl<1>,1|C<4>,7|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[3x6a]C[5,6a,6a]2){2|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[6,6,6a]C[6,6,6a]C[5,6,6]){1|Cl<1>,1|C<4>,7|C<3>}	121.5740	0.000	1	121.5740	0.000	1	121.7445	0.058	2	122.0085	0.605	22	121.9380	0.380	63	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6,6a]	3:3:3:	3:3:3:	4:3:3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[3x6a]-3:	C[5,6,6]-4:C[5,6a,6a]-3:C[6,6,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[3x6a]C[6,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6a,6a]C[5,6,6a]C[6,6,6a])(C[3x6a]C[6,6a,6a]2)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6a,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[3x6a]C[6,6a,6a]C[3x6a]){2|C<4>,7|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6a,6a]C[5,6,6a]C[6,6,6a])(C[3x6a]C[6,6a,6a]2){2|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[6,6,6a]C[6,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	121.9150	0.000	1	121.9150	0.000	1	121.7445	0.058	2	122.0085	0.605	22	121.9380	0.380	63	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[3x6a]-3:C[5,6a,6a]-3:C[5,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6,6a,6a]-3:	C[3x6a]-3:C[5,6a,6a]-3:C[5,6a]-3:	C[5,6a,6a](C[3x6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[6a]Si[5])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])2(C[6,6a,6a]C[6,6a]2)	C[5,6a,6a](C[3x6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[6a]Si[5])	C[5,6a,6a](C[3x6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[6a]Si[5]){1|H<1>,2|C<4>,6|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])2(C[6,6a,6a]C[6,6a]2){2|Si<4>,7|C<3>}	C[5,6a,6a](C[3x6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[6a]Si[5]){1|H<1>,2|C<4>,6|C<3>}	119.3625	0.097	2	119.3625	0.009	2	119.3625	0.009	2	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a](C[5,6,6a]C[5,5,6,6]C[5,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6,6a]C[5,5,6,6]C[5,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6,6a]C[5,5,6,6]C[5,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){1|C<4>,1|N<3>,7|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[5,6a,6a](C[5,6,6a]C[5,5,6,6]C[5,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){1|C<4>,1|N<3>,7|C<3>}	121.0810	0.721	2	121.0810	0.520	2	121.0630	0.390	4	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,3x6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,3x6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,3x6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){2|C<4>,7|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,3x6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){2|C<4>,7|C<3>}	120.4750	0.000	1	120.4750	0.000	1	121.0630	0.390	4	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){1|C<4>,8|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){1|C<4>,8|C<3>}	121.6150	0.000	1	121.6150	0.000	1	121.0630	0.390	4	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a](C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5,6a,6a](C[5,6,6a]C[3,5,6,6]C[5a,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){3|C<4>,6|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2){1|C<4>,8|C<3>}	C[5,6a,6a](C[5,6,6a]C[3,5,6,6]C[5a,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){2|C<4>,7|C<3>}	119.9180	0.000	1	119.9180	0.000	1	120.3253	0.321	3	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){2|C<4>,7|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2){1|C<4>,8|C<3>}	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){2|C<4>,7|C<3>}	120.9720	0.000	1	120.9720	0.000	1	120.3253	0.321	3	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){2|C<4>,7|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2){1|C<4>,8|C<3>}	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){2|C<4>,7|C<3>}	120.0860	0.000	1	120.0860	0.000	1	120.3253	0.321	3	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,3x6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,3x6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,3x6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){2|C<4>,7|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,3x6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){2|C<4>,7|C<3>}	121.6780	0.000	1	121.6780	0.000	1	121.2199	0.114	15	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])2(C[3x6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){2|C<4>,7|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])2(C[3x6a]C[5,6a,6a]2){2|C<4>,7|C<3>}	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){1|C<4>,8|C<3>}	121.0920	0.331	2	121.0920	0.110	2	121.2199	0.114	15	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])2(C[3x6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){2|C<4>,7|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])2(C[3x6a]C[5,6a,6a]2){2|C<4>,7|C<3>}	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){1|C<4>,8|C<3>}	121.1555	0.344	2	121.1555	0.119	2	121.2199	0.114	15	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])2(C[3x6a]C[5a,6a,6a]C[5,6a,6a])	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){1|C<4>,8|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])2(C[3x6a]C[5a,6a,6a]C[5,6a,6a]){2|C<4>,7|C<3>}	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){2|C<4>,7|C<3>}	121.1430	0.076	2	121.1430	0.006	2	121.2199	0.114	15	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,4x6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])2(C[3x6a]C[5a,6a,6a]2)	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,4x6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,4x6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){2|C<4>,7|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])2(C[3x6a]C[5a,6a,6a]2){2|C<4>,7|C<3>}	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,4x6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){2|C<4>,7|C<3>}	121.1770	0.000	1	121.1770	0.000	1	121.2199	0.114	15	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5a,6a,6a]2)	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){1|C<4>,8|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5a,6a,6a]2){1|C<4>,8|C<3>}	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){1|C<4>,8|C<3>}	121.3790	0.000	1	121.3790	0.000	1	121.2199	0.114	15	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])2(C[3x6a]C[5a,6a,6a]2)	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){2|C<4>,7|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])2(C[3x6a]C[5a,6a,6a]2){2|C<4>,7|C<3>}	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){2|C<4>,7|C<3>}	121.3255	0.556	4	121.3255	0.309	4	121.2199	0.114	15	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])2(C[3x6a]C[5a,6a,6a]C[5,6a,6a])	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){1|C<4>,8|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])2(C[3x6a]C[5a,6a,6a]C[5,6a,6a]){2|C<4>,7|C<3>}	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){2|C<4>,7|C<3>}	120.9905	0.049	2	120.9905	0.002	2	121.2199	0.114	15	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a](C[5,6,6a]C[3,5,6,6]C[5a,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[5a,6a,6a]2)	C[5,6a,6a](C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6,6a]C[3,5,6,6]C[5a,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){2|C<4>,7|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[5a,6a,6a]2){1|C<4>,8|C<3>}	C[5,6a,6a](C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){3|C<4>,6|C<3>}	122.0300	0.559	2	122.0300	0.312	2	121.6848	0.203	5	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){2|C<4>,7|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){2|C<4>,7|C<3>}	121.3630	0.000	1	121.3630	0.000	1	121.6848	0.203	5	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[5a,6a,6a]2)	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){1|C<4>,7|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[5a,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){1|C<4>,7|C<3>}	121.5005	0.302	2	121.5005	0.091	2	121.6848	0.203	5	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){2|C<4>,7|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a]){1|C<4>,8|C<3>}	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){2|C<4>,7|C<3>}	121.1990	0.000	1	121.1990	0.000	1	121.1990	0.000	1	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6,6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]2)	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]2){1|C<4>,7|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	121.2720	0.000	1	121.2720	0.000	1	121.2840	0.000	2	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6,6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]2)	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]2){1|C<4>,7|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	121.2960	0.000	1	121.2960	0.000	1	121.2840	0.000	2	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6,6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]2)	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]2){8|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	122.0340	0.000	1	122.0340	0.000	1	122.0340	0.000	1	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]2)	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]2){1|C<4>,7|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	121.1450	0.000	1	121.1450	0.000	1	121.1450	0.000	1	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6,6a]-3:	C[5,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]2)	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]2){1|C<4>,7|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[5,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	121.2895	0.532	2	121.2895	0.284	2	121.1587	0.119	4	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6,6a]-3:	C[5,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]2)	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]2){1|C<4>,7|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[5,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	121.0280	0.074	2	121.0280	0.005	2	121.1587	0.119	4	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6,6a]-3:	C[5a,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]2)	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]2){1|C<4>,7|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	121.2200	0.000	1	121.2200	0.000	1	121.2200	0.000	1	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[3x6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)2	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)2{9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	121.6977	1.415	13	121.6977	2.002	13	121.6977	2.002	13	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[3x6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3x6a](C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)2	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])2(C[3x6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	C[3x6a](C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)2{9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])2(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	121.0270	0.086	2	121.0270	0.007	2	121.3887	0.176	11	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[3x6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3x6a](C[3x6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)2	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	C[3x6a](C[3x6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)2{9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	121.7820	0.000	1	121.7820	0.000	1	121.3887	0.176	11	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[3x6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)2	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)2{9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	121.4300	0.434	8	121.4300	0.188	8	121.3887	0.176	11	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[3x6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3x6a](C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)2	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)2	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	C[3x6a](C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)2{9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)2{8|C<3>}	121.7010	0.000	1	121.7010	0.000	1	121.2797	0.924	25	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[3x6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3x6a](C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)2	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])2(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	C[3x6a](C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)2{9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])2(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	121.0620	0.000	1	121.0620	0.000	1	121.2797	0.924	25	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[3x6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3x6a](C[3x6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)2	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	C[3x6a](C[3x6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)2{9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,7|C<3>}	119.8920	0.000	1	119.8920	0.000	1	121.2797	0.924	25	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[3x6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)2	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)2	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)2{9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)2{8|C<3>}	121.2949	1.114	15	121.2949	1.242	15	121.2797	0.924	25	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[3x6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)2	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)2{9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	120.9200	0.729	3	120.9200	0.531	3	121.2797	0.924	25	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[3x6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)2	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)2{9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	121.7883	0.228	4	121.7883	0.052	4	121.2797	0.924	25	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[3x6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	121.1720	0.479	6	121.1720	0.230	6	121.1720	0.230	6	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[3x6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3x6a](C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])2(C[3x6a]C[5a,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	C[3x6a](C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])2(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	121.2980	0.000	1	121.2980	0.000	1	120.8331	0.904	7	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[3x6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3x6a](C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	C[3x6a](C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	121.6600	0.000	1	121.6600	0.000	1	120.8331	0.904	7	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[3x6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	120.5748	1.023	5	120.5748	1.047	5	120.8331	0.904	7	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[3x6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3x6a](C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])2(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	C[3x6a](C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])2(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	120.0425	0.207	2	120.0425	0.043	2	121.6489	1.223	14	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[3x6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)2	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)2{8|C<3>}	122.1743	1.063	8	122.1743	1.131	8	121.6489	1.223	14	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[3x6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	121.4015	0.328	4	121.4015	0.108	4	121.6489	1.223	14	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)2	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)2{8|C<3>}	121.2320	0.000	1	121.6905	0.420	2	121.8993	0.341	3	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)2	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)2{8|C<3>}	122.1490	0.000	1	121.6905	0.420	2	121.8993	0.341	3	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	122.3170	0.000	1	122.3170	0.000	1	121.8993	0.341	3	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a]){1|C<4>,7|C<3>}	120.1380	0.000	1	120.1380	0.000	1	120.1380	0.000	1	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[6,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[6,6a,6a]C[5,6,6a]C[6,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2){9|C<3>}	C[5,6a,6a](C[6,6a,6a]C[5,6,6a]C[6,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,7|C<3>}	120.2060	0.861	2	120.2060	0.742	2	120.2060	0.742	2	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3x6a](C[5,6a,6a]C[5,6a,6a]2)2(C[3x6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]2)2(C[3x6a]C[5,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	121.2357	0.321	20	121.2357	0.103	20	121.2357	0.103	20	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3x6a](C[5,6a,6a]C[5,6a,6a]2)2(C[3x6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]2)2(C[3x6a]C[5,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	121.5718	1.230	15	121.5718	1.512	15	121.4798	1.400	17	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	120.5220	0.000	1	120.7895	0.143	2	121.4798	1.400	17	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	121.0570	0.000	1	120.7895	0.143	2	121.4798	1.400	17	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3x6a](C[5,6a,6a]C[5,6a,6a]2)2(C[3x6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)2	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]2)2(C[3x6a]C[5,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)2{8|C<3>}	121.2689	0.945	17	121.2689	0.893	17	121.4945	0.513	36	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3x6a](C[5,6a,6a]C[5,6a,6a]2)2(C[3x6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]2)2(C[3x6a]C[5,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	121.7263	0.284	17	121.7263	0.081	17	121.4945	0.513	36	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)2	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)2{8|C<3>}	121.9870	0.000	1	121.4415	0.595	2	121.4945	0.513	36	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)2	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)2{8|C<3>}	120.8960	0.000	1	121.4415	0.595	2	121.4945	0.513	36	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5a,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	121.0959	1.140	17	121.0959	1.300	17	121.0959	1.300	17	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5a,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	120.6957	0.947	6	120.6957	0.898	6	120.6957	0.898	6	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5a,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)2	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)2{8|C<3>}	122.0244	1.041	16	122.0244	1.085	16	121.8626	0.893	23	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5a,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	120.9915	0.955	2	120.9915	0.913	2	121.8626	0.893	23	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5a,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	121.6932	0.310	5	121.6932	0.096	5	121.8626	0.893	23	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[3x6a]C[6a,6a]C[3x6a])(C[5,6a]C[6a]Se[5])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[3x6a]C[5,6a,6a]C[6a,6a])(C[6a,6a]C[6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[6a]Se[5])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[3x6a]C[6a,6a]C[3x6a])(C[5,6a]C[6a]Se[5]){1|O<2>,6|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[3x6a]C[5,6a,6a]C[6a,6a])(C[6a,6a]C[6a]2){1|Se<2>,1|N<2>,1|O<2>,6|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[6a]Se[5]){1|Se<2>,1|O<2>,5|C<3>}	121.0810	0.000	1	121.0810	0.000	1	121.1900	0.024	2	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[3x6a]C[6a,6a]C[3x6a])(C[5,6a]C[6a]Se[5])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[3x6a]C[5,6a,6a]C[6a,6a])(C[6a,6a]C[6a]N[6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[6a]Se[5])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[3x6a]C[6a,6a]C[3x6a])(C[5,6a]C[6a]Se[5]){1|N<2>,1|O<2>,5|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[3x6a]C[5,6a,6a]C[6a,6a])(C[6a,6a]C[6a]N[6a]){1|Se<2>,1|O<2>,6|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[6a]Se[5]){1|Se<2>,1|O<2>,5|C<3>}	121.2990	0.000	1	121.2990	0.000	1	121.1900	0.024	2	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[3x6a]C[6a,6a]2)(C[5,6a]C[6a]C[5])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)	C[5,6a,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[3x6a]C[6a,6a]2)(C[5,6a]C[6a]C[5])	C[5,6a,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[3x6a]C[6a,6a]2)(C[5,6a]C[6a]C[5]){2|H<1>,7|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2){1|Br<1>,1|C<4>,2|H<1>,5|C<3>}	C[5,6a,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[3x6a]C[6a,6a]2)(C[5,6a]C[6a]C[5]){2|H<1>,7|C<3>}	122.1410	0.436	2	122.1410	0.190	2	122.1410	0.190	2	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[3x6a]-3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[3x6a]C[3x6a]2)	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5,6a,6a]C[3x6a])2	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[3x6a]C[3x6a]2){2|C<4>,7|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5,6a,6a]C[3x6a])2{1|C<4>,8|C<3>}	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,7|C<3>}	122.3400	0.000	1	122.3400	0.000	1	122.3400	0.000	1	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[3x6a]-3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[5a,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[3x6a]C[3x6a]2)	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[3x6a]C[3x6a]2){2|C<4>,7|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){1|C<4>,8|C<3>}	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){2|C<4>,7|C<3>}	121.8690	0.000	1	121.8690	0.000	1	121.8690	0.000	1	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[5a,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6,6a]2)	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[3x6a]C[5,6a,6a]C[3x6a]){1|Cl<1>,1|C<4>,7|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6,6a]2){3|C<4>,6|C<3>}	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){1|Cl<1>,1|C<4>,7|C<3>}	120.7850	0.462	2	120.7850	0.214	2	121.1150	0.434	3	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[5a,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[3x6a]C[5,6a,6a]C[3x6a]){1|C<4>,8|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){2|C<4>,7|C<3>}	121.7750	0.000	1	121.7750	0.000	1	121.1150	0.434	3	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5a,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	121.0090	0.000	1	121.0090	0.000	1	121.4940	0.470	2	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5a,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	121.9790	0.000	1	121.9790	0.000	1	121.4940	0.470	2	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[6,6a,6a]-3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[6,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[3x6a]C[6,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]2)	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[6,6a,6a]C[6,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[3x6a]C[6,6a,6a]C[3x6a]){1|Cl<1>,8|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]2){1|C<4>,8|C<3>}	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[6,6a,6a]C[6,6a,6a]2){1|Cl<1>,1|C<4>,7|C<3>}	121.6195	0.168	2	121.6195	0.028	2	121.6195	0.028	2	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[5a,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5a,6a,6a]2)	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[3x6a]C[5,6a,6a]C[3x6a]){1|O<2>,8|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5a,6a,6a]2){1|C<4>,8|C<3>}	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){1|C<4>,1|O<2>,7|C<3>}	120.9820	0.000	1	120.9820	0.000	1	120.9820	0.000	1	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])2(C[3x6a]C[5a,6a,6a]C[5,6a,6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[3x6a]C[5,6a,6a]C[3x6a]){1|C<4>,8|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])2(C[3x6a]C[5a,6a,6a]C[5,6a,6a]){2|C<4>,7|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a]){2|C<4>,7|C<3>}	121.5110	0.000	1	121.5110	0.000	1	121.5110	0.000	1	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])2(C[3x6a]C[5a,6a,6a]C[5,6a,6a])	C[5,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[3x6a]C[5,6a,6a]C[3x6a]){1|C<4>,8|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])2(C[3x6a]C[5a,6a,6a]C[5,6a,6a]){2|C<4>,7|C<3>}	C[5,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a]){2|C<4>,7|C<3>}	121.0740	0.000	1	121.0740	0.000	1	121.0740	0.000	1	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[3x6a]-3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[3x6a]C[6,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[3x6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[3x6a]C[6,6a,6a]C[3x6a]){1|Cl<1>,1|C<4>,7|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[3x6a]C[5,6a,6a]2){2|C<4>,7|C<3>}	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,1|C<4>,7|C<3>}	121.7540	0.000	1	121.7540	0.000	1	121.7540	0.000	1	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[3x6a]-3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[6,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[3x6a]C[6,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6a,6a]C[5,6,6a]C[6,6,6a])(C[3x6a]C[6,6a,6a]2)	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[6,6a,6a]C[6,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[3x6a]C[6,6a,6a]C[3x6a]){2|C<4>,7|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6a,6a]C[5,6,6a]C[6,6,6a])(C[3x6a]C[6,6a,6a]2){2|C<4>,7|C<3>}	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[6,6a,6a]C[6,6a,6a]2){2|C<4>,7|C<3>}	122.1550	0.000	1	122.1550	0.000	1	122.1550	0.000	1	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[3x6a]-3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[3x6a]C[6,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[3x6a]C[5,6a,6a]C[6,6a,6a])	C[5,6a,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])	C[5,6a,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[3x6a]C[6,6a,6a]C[3x6a]){1|Cl<1>,1|C<4>,7|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[3x6a]C[5,6a,6a]C[6,6a,6a]){2|C<4>,7|C<3>}	C[5,6a,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a]){1|Cl<1>,2|C<4>,6|C<3>}	120.7770	0.034	2	120.7770	0.001	2	120.7770	0.001	2	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[3x6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[3x6a]2)	C[3x6a](C[3x6a]C[5,6a,6a]C[3x6a])2(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])2(C[3x6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[3x6a]2){8|C<3>}	C[3x6a](C[3x6a]C[5,6a,6a]C[3x6a])2(C[5,6a,6a]C[5,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])2(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	121.1890	0.000	1	121.1890	0.000	1	121.6370	0.401	2	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[3x6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[3x6a]2)	C[3x6a](C[3x6a]C[5,6a,6a]C[3x6a])2(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])2(C[3x6a]C[5a,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[3x6a]2){8|C<3>}	C[3x6a](C[3x6a]C[5,6a,6a]C[3x6a])2(C[5,6a,6a]C[5,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])2(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	122.0850	0.000	1	122.0850	0.000	1	121.6370	0.401	2	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[3x6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]2)2(C[3x6a]C[3x6a]2)	C[3x6a](C[3x6a]C[5,6a,6a]C[3x6a])2(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]2)2(C[3x6a]C[3x6a]2){8|C<3>}	C[3x6a](C[3x6a]C[5,6a,6a]C[3x6a])2(C[5,6a,6a]C[5,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,7|C<3>}	121.8860	0.000	1	121.8860	0.000	1	121.4284	0.856	10	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[3x6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[3x6a]2)	C[3x6a](C[3x6a]C[5,6a,6a]C[3x6a])2(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)2	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[3x6a]2){8|C<3>}	C[3x6a](C[3x6a]C[5,6a,6a]C[3x6a])2(C[5,6a,6a]C[5,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)2{8|C<3>}	122.6370	0.000	1	122.6370	0.000	1	121.4284	0.856	10	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[3x6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[3x6a]2)	C[3x6a](C[3x6a]C[5,6a,6a]C[3x6a])2(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[3x6a]2){8|C<3>}	C[3x6a](C[3x6a]C[5,6a,6a]C[3x6a])2(C[5,6a,6a]C[5,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	122.1940	0.000	1	122.1940	0.000	1	121.4284	0.856	10	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[3x6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[3x6a]2)	C[3x6a](C[3x6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)2	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[3x6a]2){8|C<3>}	C[3x6a](C[3x6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)2{8|C<3>}	121.7925	0.122	2	121.7925	0.015	2	121.4284	0.856	10	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[3x6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[3x6a]2)	C[3x6a](C[3x6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])2(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[3x6a]2){8|C<3>}	C[3x6a](C[3x6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])2(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	120.5985	0.327	2	120.5985	0.107	2	121.4284	0.856	10	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[3x6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[3x6a]2)	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)2	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[3x6a]2){8|C<3>}	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)2{8|C<3>}	122.1610	0.000	1	122.1610	0.000	1	121.4284	0.856	10	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[3x6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[3x6a]2)	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])2(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[3x6a]2){8|C<3>}	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])2(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	120.3120	0.810	2	120.3120	0.657	2	121.4284	0.856	10	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[3x6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5a,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[3x6a]2)	C[3x6a](C[3x6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])2(C[5a,6a,6a]C[5a,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[3x6a]2){8|C<3>}	C[3x6a](C[3x6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])2(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	121.7387	0.561	3	121.7387	0.314	3	121.8852	0.548	6	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[3x6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5a,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[3x6a]2)	C[3x6a](C[3x6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[3x6a]2){8|C<3>}	C[3x6a](C[3x6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	122.7720	0.000	1	122.7720	0.000	1	121.8852	0.548	6	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[3x6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5a,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[3x6a]2)	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])2(C[5a,6a,6a]C[5a,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[3x6a]2){8|C<3>}	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])2(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	120.8990	0.000	1	120.8990	0.000	1	121.8852	0.548	6	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[3x6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5a,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[3x6a]2)	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[3x6a]2){8|C<3>}	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	122.4240	0.000	1	122.4240	0.000	1	121.8852	0.548	6	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[3x6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[3x6a]2)	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[3x6a]2){8|C<3>}	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	121.9710	0.000	1	121.9710	0.000	1	121.9710	0.000	1	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[3x6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]2)2(C[3x6a]C[3x6a]2)	C[3x6a](C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])2(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]2)2(C[3x6a]C[3x6a]2){8|C<3>}	C[3x6a](C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])2(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	121.0830	0.000	1	121.0830	0.000	1	121.6073	0.305	3	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[3x6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]2)2(C[3x6a]C[3x6a]2)	C[3x6a](C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]2)2(C[3x6a]C[3x6a]2){8|C<3>}	C[3x6a](C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	121.5550	0.000	1	121.5550	0.000	1	121.6073	0.305	3	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[3x6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[3x6a]2)	C[3x6a](C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)2	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[3x6a]2){8|C<3>}	C[3x6a](C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)2{8|C<3>}	122.1840	0.000	1	122.1840	0.000	1	121.6073	0.305	3	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[3x6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5a,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[3x6a]2)	C[3x6a](C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])2(C[5a,6a,6a]C[5a,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[3x6a]2){8|C<3>}	C[3x6a](C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])2(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	120.5280	0.000	1	120.5280	0.000	1	120.5280	0.000	1	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[3x6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)2	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)2{9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]2){1|C<4>,7|C<3>}	121.5850	0.585	2	121.5850	0.343	2	121.5850	0.343	2	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[3x6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])2(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)2	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])2(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)2{9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	122.2240	0.173	2	122.2240	0.030	2	121.3714	0.508	20	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[3x6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)2	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)2{9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	121.2767	0.687	18	121.2767	0.471	18	121.3714	0.508	20	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[3x6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])2(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)2	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[3x6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])2(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)2{9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[3x6a]2){8|C<3>}	121.3330	0.000	1	121.3330	0.000	1	121.3651	0.841	11	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[3x6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])2(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)2	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])2(C[3x6a]C[5a,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])2(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)2{9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])2(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	121.4770	0.000	1	121.4770	0.000	1	121.3651	0.841	11	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[3x6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[3x6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)2	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[3x6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)2{9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	122.6640	0.000	1	122.6640	0.000	1	121.3651	0.841	11	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[3x6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)2	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)2{9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	121.1928	0.961	8	121.1928	0.924	8	121.3651	0.841	11	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[3x6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)2	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6,6a]C[5,6,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)2{9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6,6a]C[5,6,6a]2){1|C<4>,7|C<3>}	121.0090	0.946	2	121.0090	0.895	2	121.0090	0.895	2	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[3x6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5a,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)2	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)2{9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	121.9320	0.777	6	121.9320	0.604	6	121.9320	0.604	6	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[3x6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)2	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)2{9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	121.4764	0.889	17	121.4764	0.791	17	121.4764	0.791	17	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[3x6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[3x6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)2	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[3x6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)2{9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a]){1|C<4>,7|C<3>}	119.5120	0.000	1	119.5120	0.000	1	119.5120	0.000	1	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[3x6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5a,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)2	C[5,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)2{9|C<3>}	C[5,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	120.8495	1.015	2	120.8495	1.030	2	120.8495	1.030	2	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[3x6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]2){1|C<4>,7|C<3>}	121.6830	0.000	1	121.6830	0.000	1	121.6830	0.000	1	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[3x6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])2(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])2(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	122.0760	0.000	1	122.0760	0.000	1	121.4997	0.971	12	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[3x6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	121.4473	1.016	11	121.4473	1.031	11	121.4997	0.971	12	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[3x6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])2(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[3x6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])2(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[3x6a]2){8|C<3>}	120.5590	0.000	1	120.5590	0.000	1	121.3868	0.335	4	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[3x6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])2(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])2(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	121.8860	0.000	1	121.8860	0.000	1	121.3868	0.335	4	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[3x6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])2(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])2(C[3x6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])2(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])2(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	121.4590	0.000	1	121.4590	0.000	1	121.3868	0.335	4	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[3x6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])2(C[3x6a]C[5a,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])2(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	121.6430	0.000	1	121.6430	0.000	1	121.3868	0.335	4	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[3x6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5a,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])2(C[5a,6a,6a]C[5a,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])2(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	120.4320	0.000	1	120.4320	0.000	1	120.5965	0.054	2	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[3x6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5a,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	120.7610	0.000	1	120.7610	0.000	1	120.5965	0.054	2	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[3x6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5a,6a,6a]-3:C[5,6,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6,6a]C[5,6,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6,6a]C[5,6,6a]2){1|C<4>,7|C<3>}	121.3350	0.000	1	121.3350	0.000	1	121.3350	0.000	1	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[3x6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	121.4335	0.707	10	121.4335	0.500	10	121.4335	0.500	10	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	121.2780	0.000	1	121.2780	0.000	1	121.2780	0.000	1	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	121.2170	0.495	3	121.1702	0.154	5	121.1702	0.154	5	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	121.1000	0.330	2	121.1702	0.154	5	121.1702	0.154	5	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5a,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	120.9830	0.000	1	120.9830	0.000	1	120.9830	0.000	1	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	120.9413	0.181	3	120.9250	0.127	5	120.9250	0.127	5	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	120.9005	0.663	2	120.9250	0.127	5	120.9250	0.127	5	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]2)2(C[3x6a]C[5a,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]2)2(C[3x6a]C[5a,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]2){1|C<4>,7|C<3>}	121.0120	0.000	1	121.0120	0.000	1	121.0120	0.000	1	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]2)2(C[3x6a]C[5a,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]2)2(C[3x6a]C[5a,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	120.8952	0.497	10	120.8952	0.247	10	120.8952	0.247	10	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]2)2(C[3x6a]C[5a,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]2)2(C[3x6a]C[5a,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	120.9720	0.000	1	120.9720	0.000	1	121.4408	0.185	6	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]2)2(C[3x6a]C[5a,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]2)2(C[3x6a]C[5a,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	121.4737	0.442	4	121.4737	0.196	4	121.4408	0.185	6	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5a,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5a,6a,6a]2){1|C<4>,8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	121.7780	0.000	1	121.7780	0.000	1	121.4408	0.185	6	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5a,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]2)2(C[3x6a]C[5a,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]2)2(C[3x6a]C[5a,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	121.8400	0.000	1	121.8400	0.000	1	121.8928	0.307	5	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5a,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]2)2(C[3x6a]C[5a,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]2)2(C[3x6a]C[5a,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	122.1350	0.546	3	122.1350	0.298	3	121.8928	0.307	5	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5a,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5a,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5a,6a,6a]2){1|C<4>,8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	121.2190	0.000	1	121.2190	0.000	1	121.8928	0.307	5	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]2)2(C[3x6a]C[5a,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]2)2(C[3x6a]C[5a,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	121.8579	0.490	11	121.8579	0.240	11	121.8579	0.240	11	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[6,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5a,6a,6a]2)	C[5,6a,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5a,6a,6a]2){1|C<4>,8|C<3>}	C[5,6a,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,7|C<3>}	121.5020	0.000	1	121.5020	0.000	1	121.5020	0.000	1	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	120.6850	0.000	1	120.6850	0.000	1	120.6850	0.000	1	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	121.0570	0.000	1	121.0570	0.000	1	121.0570	0.000	1	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[5a,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5a,6a,6a]2)	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5a,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	121.5940	0.000	1	121.5940	0.000	1	121.5940	0.000	1	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]2){1|C<4>,7|C<3>}	121.1490	0.199	3	121.0910	0.040	4	121.1408	0.042	5	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]2){8|C<3>}	120.9170	0.000	1	121.0910	0.040	4	121.1408	0.042	5	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5a,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5a,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]2){1|C<4>,7|C<3>}	121.3400	0.000	1	121.3400	0.000	1	121.1408	0.042	5	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5a,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5a,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	120.7040	0.000	1	120.7040	0.000	1	120.7040	0.000	1	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5a,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5a,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	120.9314	0.770	10	120.9314	0.594	10	120.9314	0.594	10	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6,6a]C[5,6,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6,6a]C[5,6,6a]2){1|C<4>,7|C<3>}	121.3437	0.224	3	121.3437	0.050	3	121.3595	0.034	4	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]2){1|C<4>,7|C<3>}	121.4070	0.000	1	121.4070	0.000	1	121.3595	0.034	4	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5a,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5a,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5a,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	121.8758	0.985	10	121.8758	0.970	10	121.8758	0.970	10	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5a,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5a,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	122.9220	0.000	1	122.9220	0.000	1	122.9220	0.000	1	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[3x6a]-3:	C[5,6a,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[6a,6a]P[5])(C[3x6a]C[6a,6a]2)	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])2	C[5,6a,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[6a,6a]P[5])(C[3x6a]C[6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[6a,6a]P[5])(C[3x6a]C[6a,6a]2){1|Au<2>,8|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])2{1|P<4>,2|H<1>,6|C<3>}	C[5,6a,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[6a,6a]P[5])(C[3x6a]C[6a,6a]2){1|Au<2>,8|C<3>}	121.7660	0.133	2	121.6110	0.048	4	121.3375	0.213	6	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[3x6a]-3:	C[5,6a,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[6a,6a]P[5])(C[3x6a]C[6a,6a]2)	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])2	C[5,6a,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[6a,6a]P[5])(C[3x6a]C[6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[6a,6a]P[5])(C[3x6a]C[6a,6a]2){1|S<2>,8|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])2{1|P<4>,2|H<1>,6|C<3>}	C[5,6a,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[6a,6a]P[5])(C[3x6a]C[6a,6a]2){1|S<2>,8|C<3>}	121.4560	0.174	2	121.6110	0.048	4	121.3375	0.213	6	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[3x6a]-3:	C[5,6a,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[6a]Se[5])(C[3x6a]C[6a,6a]2)	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)	C[5,6a,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[6a]Se[5])(C[3x6a]C[6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[6a]Se[5])(C[3x6a]C[6a,6a]2){1|H<1>,6|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2){1|Se<2>,3|H<1>,5|C<3>}	C[5,6a,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[6a]Se[5])(C[3x6a]C[6a,6a]2){1|H<1>,6|C<3>}	120.7905	0.148	2	120.7905	0.022	2	121.3375	0.213	6	121.3795	0.692	460	121.3795	0.692	460	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a]	3:3:3:	3:3:3:	3:2:3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:Se[5]-2:C[6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[3x6a]C[6a,6a]C[3x6a])(C[5,6a]C[6a]Se[5])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[3x6a]C[5,6a,6a]C[6a,6a])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(Se[5]C[5,6a])(C[6a]C[6a]O)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[3x6a]C[6a,6a]C[3x6a])(C[5,6a]C[6a]Se[5]){1|O<2>,6|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[3x6a]C[5,6a,6a]C[6a,6a])(C[6a,6a]C[6a]2){1|Se<2>,1|N<2>,1|O<2>,6|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(Se[5]C[5,6a])(C[6a]C[6a]O){1|O<2>,4|C<3>}	122.1690	0.000	1	122.1690	0.000	1	122.0550	0.026	2	122.7092	0.604	4	123.5592	2.286	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a]	3:3:3:	3:3:3:	3:2:3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:Se[5]-2:C[6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[3x6a]C[6a,6a]C[3x6a])(C[5,6a]C[6a]Se[5])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[3x6a]C[5,6a,6a]C[6a,6a])(C[6a,6a]C[6a]N[6a])	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(Se[5]C[5,6a])(C[6a]C[6a]O)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[3x6a]C[6a,6a]C[3x6a])(C[5,6a]C[6a]Se[5]){1|N<2>,1|O<2>,5|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[3x6a]C[5,6a,6a]C[6a,6a])(C[6a,6a]C[6a]N[6a]){1|Se<2>,1|O<2>,6|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(Se[5]C[5,6a])(C[6a]C[6a]O){1|O<2>,4|C<3>}	121.9410	0.000	1	121.9410	0.000	1	122.0550	0.026	2	122.7092	0.604	4	123.5592	2.286	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a]	3:3:3:	3:3:3:	3:2:3:	C[5,6a,6a]-3:C[5,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:Se[5]-2:C[6a]-3:	C[5,6a,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[6a]Se[5])(C[3x6a]C[6a,6a]2)	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(Se[5]C[5,6a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[6a]Se[5])(C[3x6a]C[6a,6a]2){1|H<1>,6|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2){1|Se<2>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(Se[5]C[5,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	123.3635	0.271	2	123.3635	0.073	2	123.3635	0.073	2	122.7092	0.604	4	123.5592	2.286	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[3x6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5a,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:S[5]-2:	C[5,6a,6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[6a]S[5])2	C[3x6a](C[5a,6a,6a]C[5a,6a]2)(C[5,6a,6a]C[5,6a]2)2	C[5,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[6a]C[5,6a]H)(S[5]S[5])	C[5,6a,6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[6a]S[5])2{2|H<1>,4|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a]2)(C[5,6a,6a]C[5,6a]2)2{3|C<3>,6|S<2>}	C[5,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[6a]C[5,6a]H)(S[5]S[5]){1|S<2>,3|C<3>}	119.5440	0.038	2	119.5440	0.001	2	119.6005	0.006	4	119.6005	0.006	4	123.5592	2.286	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[3x6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5a,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:S[5]-2:	C[5,6a,6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[6a]S[5])2	C[3x6a](C[5a,6a,6a]C[5a,6a]2)(C[5,6a,6a]C[5,6a]2)2	C[5,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[6a]C[5a,6a]H)(S[5]S[5])	C[5,6a,6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[6a]S[5])2{2|H<1>,4|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a]2)(C[5,6a,6a]C[5,6a]2)2{3|C<3>,6|S<2>}	C[5,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[6a]C[5a,6a]H)(S[5]S[5]){1|S<2>,3|C<3>}	119.6570	0.065	2	119.6570	0.004	2	119.6005	0.006	4	119.6005	0.006	4	123.5592	2.286	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[3x6a]C[6a,6a]2)	C[3x6a](C[5,6a,6a]C[5,6a]2)(C[6a,6a]C[6a]2)2	C[5,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[3x6a]C[6a,6a]2){2|H<1>,6|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a]2)(C[6a,6a]C[6a]2)2{4|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	123.8552	0.309	6	123.8552	0.096	6	123.8552	0.096	6	124.0867	0.145	30	123.5592	2.286	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x6a]-3:	C[6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[3x6a]C[6a,6a]2)	C[3x6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a,6a]C[5,6a]2)(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[5,6a,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[3x6a]C[6a,6a]2){1|H<1>,7|C<3>}	C[3x6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a,6a]C[5,6a]2)(C[6a,6a]C[6a]2){3|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,8|C<3>}	124.3840	0.000	1	124.3840	0.000	1	124.3840	0.000	1	124.0867	0.145	30	123.5592	2.286	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x6a]-3:	C[6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[3x6a]C[6a,6a]2)	C[3x6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a,6a]C[5,6a]2)(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[3x6a]C[6a,6a]2){1|H<1>,7|C<3>}	C[3x6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a,6a]C[5,6a]2)(C[6a,6a]C[6a]2){3|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	122.7700	0.000	1	122.7700	0.000	1	122.7700	0.000	1	124.0867	0.145	30	123.5592	2.286	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[3x6a]C[6a,6a]2)	C[3x6a](C[6a,6a]C[6a,6a]C[6a])2(C[5,6a,6a]C[5,6a]2)	C[5,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[3x6a]C[6a,6a]2){2|H<1>,6|C<3>}	C[3x6a](C[6a,6a]C[6a,6a]C[6a])2(C[5,6a,6a]C[5,6a]2){2|H<1>,7|C<3>}	C[5,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	124.2420	0.211	20	124.2420	0.045	20	124.2420	0.045	20	124.0867	0.145	30	123.5592	2.286	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[5,6a,6a](C[5,6a]C[6a,6a]C[5])2(C[3x6a]C[6a,6a]2)	C[3x6a](C[6a,6a]C[6a,6a]C[6a])2(C[5,6a,6a]C[5,6a]2)	C[5,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]C)	C[5,6a,6a](C[5,6a]C[6a,6a]C[5])2(C[3x6a]C[6a,6a]2){8|C<3>}	C[3x6a](C[6a,6a]C[6a,6a]C[6a])2(C[5,6a,6a]C[5,6a]2){2|H<1>,7|C<3>}	C[5,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]C){1|H<1>,6|C<3>}	123.7380	0.095	2	123.7380	0.009	2	123.7380	0.009	2	124.0867	0.145	30	123.5592	2.286	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a,6a]-3:C[5,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:P[5]-4:	C[5,6a,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[6a,6a]P[5])(C[3x6a]C[6a,6a]2)	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[6a,6a]C[6a,6a]C[6a])(P[5]C[5,6a]C[6a]Au)	C[5,6a,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[6a,6a]P[5])(C[3x6a]C[6a,6a]2){1|Au<2>,8|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])2{1|P<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[6a,6a]C[6a,6a]C[6a])(P[5]C[5,6a]C[6a]Au){1|H<1>,8|C<3>}	122.6900	0.100	2	122.6900	0.010	2	122.8217	0.028	4	123.0606	0.306	5	123.5592	2.286	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a,6a]-3:C[5,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:P[5]-4:	C[5,6a,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[6a,6a]P[5])(C[3x6a]C[6a,6a]2)	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[6a,6a]C[6a,6a]C[6a])(P[5]C[5,6a]C[6a]S)	C[5,6a,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[6a,6a]P[5])(C[3x6a]C[6a,6a]2){1|S<2>,8|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])2{1|P<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[6a,6a]C[6a,6a]C[6a])(P[5]C[5,6a]C[6a]S){1|H<1>,8|C<3>}	122.9535	0.073	2	122.9535	0.005	2	122.8217	0.028	4	123.0606	0.306	5	123.5592	2.286	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	N[5,6a]-3:C[3x6a]-3:C[5,6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](N[5,6a]C[6a,6a]C[5])(C[3x6a]C[6a,6a]2)(C[5,6a]C[6a]C[5])	C[3x6a](C[5,6a,6a]C[5,6a]N[5,6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[3x6a]N[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](N[5,6a]C[6a,6a]C[5])(C[3x6a]C[6a,6a]2)(C[5,6a]C[6a]C[5]){1|N<2>,4|C<3>,5|H<1>}	C[3x6a](C[5,6a,6a]C[5,6a]N[5,6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a,6a]C[3x6a]N[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	124.0160	0.000	1	124.0160	0.000	1	124.0160	0.000	1	123.0606	0.306	5	123.5592	2.286	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[3x6a]-3:C[5,6a,6a]-3:C[5,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6,6a,6a]-3:	C[5,6a,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a,6a](C[3x6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[6a]Si[5])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])2(C[6,6a,6a]C[6,6a]2)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(Si[5]C[5,6a]CC)(C[6a]C[6,6a]H)	C[5,6a,6a](C[3x6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[6a]Si[5]){1|H<1>,2|C<4>,6|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])2(C[6,6a,6a]C[6,6a]2){2|Si<4>,7|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(Si[5]C[5,6a]CC)(C[6a]C[6,6a]H){5|C<3>}	123.1655	0.115	2	123.1655	0.013	2	123.1655	0.013	2	125.0350	4.666	4	123.5592	2.286	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[3x6a]C[6a,6a]2)(C[5,6a]C[6a]C[5])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[3x6a]C[6a,6a]2)(C[5,6a]C[6a]C[5]){2|H<1>,7|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2){1|Br<1>,1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){1|Br<1>,6|C<3>}	126.9045	0.070	2	126.9045	0.005	2	126.9045	0.005	2	125.0350	4.666	4	123.5592	2.286	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6a,6a]-3:	C[6,6a,6a]-3:C[6,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6a,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6a,6a]C[6,6a,6a]2)	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[6,6a,6a]C[5,6,6a]C[3x6a])(C[5,6a,6a]C[5,6,6a]2)	C[5,6,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6a,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6a,6a]C[6,6a,6a]2){2|C<4>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[6,6a,6a]C[5,6,6a]C[3x6a])(C[5,6a,6a]C[5,6,6a]2){2|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	122.3510	0.000	1	122.3510	0.000	1	122.3510	0.000	1	122.3510	0.000	1	122.3878	0.966	28	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6a,6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6a,6a](C[5,6,6a]C[6,6,6a]C[5,6,6])2(C[6,6a,6a]C[6,6,6a]2)	C[6,6a,6a](C[6,6,6a]C[6,6,6a]C[5,6,6])2(C[5,6a,6a]C[5,6,6a]2)	C[5,6,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl)	C[5,6a,6a](C[5,6,6a]C[6,6,6a]C[5,6,6])2(C[6,6a,6a]C[6,6,6a]2){2|Cl<1>,4|C<3>,4|C<4>}	C[6,6a,6a](C[6,6,6a]C[6,6,6a]C[5,6,6])2(C[5,6a,6a]C[5,6,6a]2){2|Cl<1>,3|C<3>,6|C<4>}	C[5,6,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl){2|Cl<1>,2|C<4>,6|C<3>}	122.7370	0.000	1	122.7370	0.000	1	122.7370	0.000	1	122.7022	0.774	8	122.3878	0.966	28	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6a,6a]-3:	C[6,6a,6a]-3:C[6,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6,6]-4:	C[5,6a,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6a,6a]C[6,6a,6a]2)	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[6,6a,6a]C[5,6,6a]C[3x6a])(C[5,6a,6a]C[5,6,6a]2)	C[5,6,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[5,6,6]C[6,6,6a]C[5,6,6]C)	C[5,6a,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6a,6a]C[6,6a,6a]2){2|C<4>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[6,6a,6a]C[5,6,6a]C[3x6a])(C[5,6a,6a]C[5,6,6a]2){2|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[5,6,6]C[6,6,6a]C[5,6,6]C){8|C<3>}	121.7760	0.000	1	121.7760	0.000	1	121.7760	0.000	1	122.7022	0.774	8	122.3878	0.966	28	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[6,6a,6a]-3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[6,6a,6a]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6a,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6a,6a]C[6,6a,6a]2)	C[6,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[6,6a,6a]C[6,6a,6a]C[5,6,6a])	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6a,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6a,6a]C[6,6a,6a]2){2|C<4>,7|C<3>}	C[6,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[6,6a,6a]C[6,6a,6a]C[5,6,6a]){2|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|C<4>,8|C<3>}	123.7690	0.000	1	123.7690	0.000	1	123.7690	0.000	1	122.7022	0.774	8	122.3878	0.966	28	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6,6a]-3:	C[6,6a,6a]-3:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6,6]-4:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6])	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6]){2|C<4>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6]){2|C<4>,8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C){8|C<3>}	121.1920	0.000	1	121.1920	0.000	1	121.1920	0.000	1	122.7022	0.774	8	122.3878	0.966	28	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6,6a]-3:	C[6,6a,6a]-3:C[5,6a,6a]-3:C[6,6,6a]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6a,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6a,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6]){3|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|C<4>,7|C<3>}	123.5800	0.000	1	123.3495	0.106	2	123.3495	0.106	2	122.7022	0.774	8	122.3878	0.966	28	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6,6a]-3:	C[6,6a,6a]-3:C[5,6a,6a]-3:C[6,6,6a]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6a,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6a,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6]){3|C<4>,6|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6]){3|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|C<4>,8|C<3>}	123.1190	0.000	1	123.3495	0.106	2	123.3495	0.106	2	122.7022	0.774	8	122.3878	0.966	28	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:4:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6,6a]-3:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6a,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[6,6,6a]C[5,6,6])	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]2)	C[5,6,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl)	C[5,6a,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[6,6,6a]C[5,6,6]){2|Cl<1>,3|C<4>,5|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]2){1|Cl<1>,3|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl){2|Cl<1>,1|C<4>,7|C<3>}	122.7225	0.443	2	122.7225	0.197	2	122.7225	0.197	2	122.7022	0.774	8	122.3878	0.966	28	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6a,6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6a,6a](C[5,6,6a]C[6,6,6a]C[5,6,6])2(C[6,6a,6a]C[6,6,6a]2)	C[6,6a,6a](C[6,6,6a]C[6,6,6a]C[5,6,6])2(C[5,6a,6a]C[5,6,6a]2)	C[5,6,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[6,6,6a]C[3x6])	C[5,6a,6a](C[5,6,6a]C[6,6,6a]C[5,6,6])2(C[6,6a,6a]C[6,6,6a]2){2|Cl<1>,4|C<3>,4|C<4>}	C[6,6a,6a](C[6,6,6a]C[6,6,6a]C[5,6,6])2(C[5,6a,6a]C[5,6,6a]2){2|Cl<1>,3|C<3>,6|C<4>}	C[5,6,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[6,6,6a]C[3x6]){2|Cl<1>,1|C<4>,7|C<3>}	123.3890	0.000	1	123.3890	0.000	1	123.3890	0.000	1	122.2573	1.085	19	122.3878	0.966	28	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[6,6a,6a]-3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[6,6a,6a]-3:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[6,6a,6a]C[6,6a,6a]2)	C[6,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[6,6a,6a]C[5,6,6a]C[3x6a])	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[6,6a,6a]C[6,6a,6a]2){1|Cl<1>,1|C<4>,7|C<3>}	C[6,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[6,6a,6a]C[5,6,6a]C[3x6a]){2|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|Cl<1>,2|C<4>,6|C<3>}	123.3340	0.182	2	123.3340	0.033	2	123.3423	0.017	3	122.2573	1.085	19	122.3878	0.966	28	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[6,6a,6a]-3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[6,6a,6a]-3:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[6,6a,6a]C[6,6a,6a]2)	C[6,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[6,6a,6a]C[5,6,6a]C[3x6a])	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[6,6a,6a]C[6,6a,6a]2){2|C<4>,7|C<3>}	C[6,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[6,6a,6a]C[5,6,6a]C[3x6a]){2|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|C<4>,8|C<3>}	123.3590	0.000	1	123.3590	0.000	1	123.3423	0.017	3	122.2573	1.085	19	122.3878	0.966	28	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[6,6a,6a]-3:	C[5,6a,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6a,6a]C[6,6,6a]2)	C[6,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[3x6])	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])	C[5,6a,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6a,6a]C[6,6,6a]2){3|C<4>,6|C<3>}	C[6,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[3x6]){4|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	123.9920	0.000	1	123.9920	0.000	1	123.9920	0.000	1	122.2573	1.085	19	122.3878	0.966	28	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[6,6a,6a]-3:	C[5,6a,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:	C[5,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[6,6a,6a]C[6,6,6a]2)	C[6,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[6,6a,6a]C[6,6,6a]2){3|C<4>,6|C<3>}	C[6,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6]){4|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	121.1942	0.289	4	121.1942	0.083	4	121.1942	0.083	4	122.2573	1.085	19	122.3878	0.966	28	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6,6a]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:	C[5,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6a,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])	C[6,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[3x6])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6a,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6]){3|C<4>,6|C<3>}	C[6,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6]){4|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[3x6]){1|C<4>,7|C<3>}	122.2390	0.000	1	122.2390	0.000	1	122.2390	0.000	1	122.2573	1.085	19	122.3878	0.966	28	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6,6a]-3:	C[5,6a,6a]-3:C[6,6,6a]-3:C[5,6,6a]-3:	C[5,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6a,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])	C[6,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[3x6])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6a,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	C[6,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2){4|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[3x6]){2|C<4>,6|C<3>}	121.6090	0.000	1	121.6090	0.000	1	121.6090	0.000	1	122.2573	1.085	19	122.3878	0.966	28	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6,6a]-3:	C[5,6a,6a]-3:C[6,6,6a]-3:C[6,6a,6a]-3:	C[5,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])	C[6,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[6,6a,6a]C[6,6a,6a]2)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[6,6,6a]C[3x6])	C[5,6a,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	C[6,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[6,6a,6a]C[6,6a,6a]2){3|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[6,6,6a]C[3x6]){1|C<4>,7|C<3>}	121.0490	0.000	1	121.0490	0.000	1	121.0490	0.000	1	122.2573	1.085	19	122.3878	0.966	28	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6,6a]-3:	C[6,6a,6a]-3:C[5,6a,6a]-3:C[6,6,6a]-3:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6a,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6]){3|C<4>,6|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6]){3|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|C<4>,8|C<3>}	123.8660	0.000	1	123.8660	0.000	1	123.8660	0.000	1	122.2573	1.085	19	122.3878	0.966	28	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6,6a]-3:	C[6,6a,6a]-3:C[5,6a,6a]-3:C[6,6,6a]-3:	C[5,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6]){1|Cl<1>,2|C<4>,6|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6]){1|O<2>,2|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6]){1|Cl<1>,1|C<4>,7|C<3>}	121.4230	0.000	1	121.4230	0.000	1	121.6445	0.098	2	122.2573	1.085	19	122.3878	0.966	28	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6,6a]-3:	C[6,6a,6a]-3:C[5,6a,6a]-3:C[6,6,6a]-3:	C[5,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6]){3|C<4>,6|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6]){3|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	121.8660	0.000	1	121.8660	0.000	1	121.6445	0.098	2	122.2573	1.085	19	122.3878	0.966	28	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:4:3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6,6a]-3:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6a,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[6,6,6a]C[5,6,6])	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]2)	C[5,6,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6a,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[6,6,6a]C[5,6,6]){2|Cl<1>,3|C<4>,5|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]2){1|Cl<1>,3|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6]){2|Cl<1>,1|C<4>,7|C<3>}	121.5510	0.199	2	121.5510	0.040	2	121.5510	0.040	2	122.2573	1.085	19	122.3878	0.966	28	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:4:3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[6,6,6a]-3:	C[5,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6a,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])	C[6,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6a,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a]){1|Cl<1>,2|C<4>,6|C<3>}	C[6,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6,6,6a]C[6,6,6a]C[5,6,6]){1|Cl<1>,2|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6]){1|Cl<1>,2|C<4>,6|C<3>}	122.7750	0.134	2	122.7750	0.018	2	122.7750	0.018	2	122.2573	1.085	19	122.3878	0.966	28	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[6,6a,6a]-3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[6,6a,6a]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[3x6a]-3:	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[6,6a,6a]C[6,6a,6a]2)	C[6,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[6,6a,6a]C[5,6,6a]C[3x6a])	C[5,6a,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[3x6a]C[6,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[6,6a,6a]C[6,6a,6a]2){2|C<4>,7|C<3>}	C[6,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[6,6a,6a]C[5,6,6a]C[3x6a]){2|C<4>,7|C<3>}	C[5,6a,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[3x6a]C[6,6a,6a]C[3x6a]){2|C<4>,7|C<3>}	121.5940	0.000	1	121.5940	0.000	1	121.0637	0.222	3	121.4948	1.082	80	121.4948	1.082	80	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[6,6a,6a]-3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[6,6a,6a]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[3x6a]-3:	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[6,6a,6a]C[6,6a,6a]2)	C[6,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[6,6a,6a]C[5,6,6a]C[3x6a])	C[5,6a,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[3x6a]C[6,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[6,6a,6a]C[6,6a,6a]2){1|Cl<1>,1|C<4>,7|C<3>}	C[6,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[6,6a,6a]C[5,6,6a]C[3x6a]){2|C<4>,7|C<3>}	C[5,6a,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[3x6a]C[6,6a,6a]C[3x6a]){1|Cl<1>,8|C<3>}	120.7985	0.146	2	120.7985	0.021	2	121.0637	0.222	3	121.4948	1.082	80	121.4948	1.082	80	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[6,6a,6a]-3:	C[5,6a,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[6,6a,6a]C[6,6,6a]2)	C[6,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[6,6a,6a]C[6,6,6a]2){3|C<4>,6|C<3>}	C[6,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6]){4|C<4>,6|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6]){3|C<4>,6|C<3>}	122.4270	0.308	4	122.4270	0.095	4	122.4270	0.095	4	121.4948	1.082	80	121.4948	1.082	80	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[6,6a,6a]-3:	C[5,6a,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6a,6a]C[6,6,6a]2)	C[6,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[3x6])	C[5,6a,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])	C[5,6a,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6a,6a]C[6,6,6a]2){3|C<4>,6|C<3>}	C[6,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[3x6]){4|C<4>,6|C<3>}	C[5,6a,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6]){3|C<4>,6|C<3>}	120.7450	0.000	1	120.7450	0.000	1	120.7450	0.000	1	121.4948	1.082	80	121.4948	1.082	80	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[6,6a,6a]-3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[6,6a,6a]-3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6a,6a]C[6,6a,6a]2)	C[6,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[6,6a,6a]C[6,6a,6a]C[5,6,6a])	C[5,6a,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])	C[5,6a,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6a,6a]C[6,6a,6a]2){2|C<4>,7|C<3>}	C[6,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[6,6a,6a]C[6,6a,6a]C[5,6,6a]){2|C<4>,7|C<3>}	C[5,6a,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	119.2410	0.000	1	119.2410	0.000	1	119.2410	0.000	1	121.4948	1.082	80	121.4948	1.082	80	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6,6a,6a]-3:	C[5,6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6,6a,6a]C[6,6a]2)	C[6,6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[6a,6a]C[6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6,6a,6a]C[6,6a]2){1|C<4>,7|C<3>}	C[6,6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6]){1|O<2>,2|H<1>,7|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[6a,6a]C[6a]2){1|H<1>,1|O<2>,6|C<3>}	121.5760	0.000	1	121.9785	0.324	2	121.9785	0.324	2	121.4948	1.082	80	121.4948	1.082	80	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6,6a,6a]-3:	C[5,6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6,6a,6a]C[6,6a]2)	C[6,6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[6a,6a]C[6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6,6a,6a]C[6,6a]2){1|C<4>,7|C<3>}	C[6,6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6]){1|O<2>,2|H<1>,7|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	122.3810	0.000	1	121.9785	0.324	2	121.9785	0.324	2	121.4948	1.082	80	121.4948	1.082	80	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6,6a,6a]-3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5a,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[5,6,6a])	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[5,6,6a]){1|C<4>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,2|C<4>,7|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	122.5550	0.000	1	122.5550	0.000	1	121.6160	1.763	2	121.4948	1.082	80	121.4948	1.082	80	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6,6a,6a]-3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5a,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[5,6,6a])	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[5,6,6a]){1|C<4>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,2|C<4>,7|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	120.6770	0.000	1	120.6770	0.000	1	121.6160	1.763	2	121.4948	1.082	80	121.4948	1.082	80	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6,6a,6a]-3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[5,6,6a])	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[5,6,6a]){1|C<4>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,2|C<4>,7|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,7|C<3>}	121.2630	0.000	1	121.2630	0.000	1	120.4430	1.345	2	121.4948	1.082	80	121.4948	1.082	80	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6,6a,6a]-3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[5,6,6a])	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[5,6,6a]){1|C<4>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,2|C<4>,7|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a]){1|C<4>,7|C<3>}	119.6230	0.000	1	119.6230	0.000	1	120.4430	1.345	2	121.4948	1.082	80	121.4948	1.082	80	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6,6a,6a]-3:	C[6,6a,6a]-3:C[5,6a,6a]-3:C[6,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6a])	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6,6a]C[6,6]C[6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6a,6a]C[6a,6a]C[6a])	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6a]){1|C<4>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6,6a]C[6,6]C[6a]){1|Co<9>,1|C<4>,1|H<1>,7|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6a,6a]C[6a,6a]C[6a]){1|Co<9>,7|C<3>}	120.0270	0.000	1	120.0270	0.000	1	120.0270	0.000	1	121.4948	1.082	80	121.4948	1.082	80	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6,6a,6a]-3:	C[6,6a,6a]-3:C[5,6a,6a]-3:C[6,6a]-3:	C[5,6a,6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6a])	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6,6a]C[6,6a]C[6])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6a]){8|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6,6a]C[6,6a]C[6]){1|C<4>,1|O<1>,1|S<2>,6|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	122.6290	0.000	1	122.3945	0.110	2	122.3710	0.057	3	121.4948	1.082	80	121.4948	1.082	80	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6,6a,6a]-3:	C[6,6a,6a]-3:C[5,6a,6a]-3:C[6,6a]-3:	C[5,6a,6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6a])	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6,6a]C[6,6a]C[6])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6a]){8|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6,6a]C[6,6a]C[6]){1|Se<2>,1|C<4>,1|O<1>,6|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	122.1600	0.000	1	122.3945	0.110	2	122.3710	0.057	3	121.4948	1.082	80	121.4948	1.082	80	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6,6a,6a]-3:	C[6,6a,6a]-3:C[5,6a,6a]-3:C[6,6a]-3:	C[5,6a,6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6a])	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6,6a]C[6,6]C[6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6a]){1|C<4>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6,6a]C[6,6]C[6a]){1|Co<9>,1|C<4>,1|H<1>,7|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	122.3240	0.000	1	122.3240	0.000	1	122.3710	0.057	3	121.4948	1.082	80	121.4948	1.082	80	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6,6a,6a]-3:	C[6,6a,6a]-3:C[5,6a,6a]-3:C[6,6a]-3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6a])	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6,6a]C[6,6a]C[6])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6a]){8|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6,6a]C[6,6a]C[6]){1|C<4>,1|O<1>,1|S<2>,6|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|S<2>,7|C<3>}	119.9410	0.000	1	119.9930	0.005	2	119.9930	0.005	2	121.4948	1.082	80	121.4948	1.082	80	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6,6a,6a]-3:	C[6,6a,6a]-3:C[5,6a,6a]-3:C[6,6a]-3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6a])	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6,6a]C[6,6a]C[6])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6a]){8|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6,6a]C[6,6a]C[6]){1|Se<2>,1|C<4>,1|O<1>,6|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|Se<2>,7|C<3>}	120.0450	0.000	1	119.9930	0.005	2	119.9930	0.005	2	121.4948	1.082	80	121.4948	1.082	80	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6,6a,6a]-3:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6,6a]C[6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a]){1|C<4>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6,6a]C[6,6])(C[5,6a,6a]C[5,6a,6a]2){1|H<1>,2|C<4>,7|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	121.1470	0.000	1	121.1470	0.000	1	121.1470	0.000	1	121.4948	1.082	80	121.4948	1.082	80	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6,6a,6a]-3:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6,6a]C[6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a]){1|C<4>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6,6a]C[6,6])(C[5,6a,6a]C[5,6a,6a]2){1|H<1>,2|C<4>,7|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,7|C<3>}	119.7850	0.000	1	119.7850	0.000	1	119.7850	0.000	1	121.4948	1.082	80	121.4948	1.082	80	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6,6a,6a]-3:	C[6,6a,6a]-3:C[6,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6a,6a]C[6,6a,6a]2)	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6a,6a]C[6,6a,6a]2){8|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,7|C<3>}	121.7970	0.000	1	121.7970	0.000	1	121.7970	0.000	1	121.4948	1.082	80	121.4948	1.082	80	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6,6a,6a]-3:	C[6,6a,6a]-3:C[6,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6a,6a]C[6,6a,6a]2)	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6a,6a]C[6,6a,6a]2){8|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2){2|C<4>,6|C<3>}	122.4480	0.000	1	122.4480	0.000	1	122.4480	0.000	1	121.4948	1.082	80	121.4948	1.082	80	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6,6a,6a]-3:	C[6,6a,6a]-3:C[6,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]2)2(C[6,6a,6a]C[6,6a,6a]2)	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]2)2(C[6,6a,6a]C[6,6a,6a]2){8|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	121.9235	0.862	2	121.9235	0.743	2	121.7507	0.327	7	121.4948	1.082	80	121.4948	1.082	80	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6,6a,6a]-3:	C[6,6a,6a]-3:C[6,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]2)2(C[6,6a,6a]C[6,6a,6a]2)	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)2	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]2)2(C[6,6a,6a]C[6,6a,6a]2){8|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)2{8|C<3>}	121.6570	0.000	1	121.6570	0.000	1	121.7507	0.327	7	121.4948	1.082	80	121.4948	1.082	80	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6,6a,6a]-3:	C[6,6a,6a]-3:C[6,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]2)2(C[6,6a,6a]C[6,6a,6a]2)	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]2)2(C[6,6a,6a]C[6,6a,6a]2){8|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	120.7930	0.000	1	120.7930	0.000	1	121.7507	0.327	7	121.4948	1.082	80	121.4948	1.082	80	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6,6a,6a]-3:	C[6,6a,6a]-3:C[6,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]2)2(C[6,6a,6a]C[6,6a,6a]2)	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])2(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)2	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]2)2(C[6,6a,6a]C[6,6a,6a]2){8|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])2(C[5,6a,6a]C[5,6a,6a]2){1|S<2>,8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)2{8|C<3>}	121.9040	0.161	2	121.9040	0.026	2	121.7507	0.327	7	121.4948	1.082	80	121.4948	1.082	80	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6,6a,6a]-3:	C[6,6a,6a]-3:C[6,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6,6a,6a]C[6,6a,6a]2)	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a])(C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)2	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6,6a,6a]C[6,6a,6a]2){8|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a])(C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|Se<2>,8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)2{8|C<3>}	122.1500	0.000	1	122.1500	0.000	1	121.7507	0.327	7	121.4948	1.082	80	121.4948	1.082	80	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6,6a,6a]-3:	C[6,6a,6a]-3:C[6,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6,6a,6a]C[6,6a,6a]2)	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a])(C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6,6a,6a]C[6,6a,6a]2){8|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a])(C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|Se<2>,8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	122.4800	0.000	1	122.4800	0.000	1	122.0757	0.523	3	121.4948	1.082	80	121.4948	1.082	80	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6,6a,6a]-3:	C[6,6a,6a]-3:C[6,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])2(C[6,6a,6a]C[6,6a,6a]2)	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6,6a])(C[6,6a,6a]C[5a,6a,6a]C[6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])2(C[6,6a,6a]C[6,6a,6a]2){8|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6,6a])(C[6,6a,6a]C[5a,6a,6a]C[6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	121.8735	0.894	2	121.8735	0.800	2	122.0757	0.523	3	121.4948	1.082	80	121.4948	1.082	80	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6,6a]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6a,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])	C[6,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6a,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6]){3|C<4>,6|C<3>}	C[6,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6]){4|C<4>,7|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6]){3|C<4>,6|C<3>}	121.5900	0.000	1	121.5900	0.000	1	121.5900	0.000	1	121.4948	1.082	80	121.4948	1.082	80	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6,6a]-3:	C[5,6a,6a]-3:C[6,6,6a]-3:C[5,6,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6a,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])	C[6,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6a,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	C[6,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2){4|C<4>,6|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6]){3|C<4>,6|C<3>}	120.8780	0.000	1	120.8780	0.000	1	120.8780	0.000	1	121.4948	1.082	80	121.4948	1.082	80	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6,6a]-3:	C[5,6a,6a]-3:C[6,6,6a]-3:C[6,6a,6a]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[6,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])	C[6,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[6,6a,6a]C[6,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6a,6a]C[6,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	C[6,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[6,6a,6a]C[6,6a,6a]2){3|C<4>,7|C<3>}	C[5,6a,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6a,6a]C[6,6a,6a]2){2|C<4>,7|C<3>}	123.3860	0.000	1	123.3860	0.000	1	123.3860	0.000	1	121.4948	1.082	80	121.4948	1.082	80	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6,6a]-3:	C[6,6a,6a]-3:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5a,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6])	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6a,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6]){2|C<4>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6]){2|C<4>,8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5a,6a,6a]C[5a,6a,6a]2){2|C<4>,7|C<3>}	122.0230	0.000	1	122.0230	0.000	1	122.0230	0.000	1	121.4948	1.082	80	121.4948	1.082	80	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6,6a]-3:	C[6,6a,6a]-3:C[5,6a,6a]-3:C[6,6,6a]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5a,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6a,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6]){3|C<4>,6|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6]){3|C<4>,7|C<3>}	C[5,6a,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5a,6a,6a]C[5a,6a,6a]2){2|C<4>,7|C<3>}	122.8350	0.000	1	122.8350	0.000	1	122.8350	0.000	1	121.4948	1.082	80	121.4948	1.082	80	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6,6a]-3:	C[6,6a,6a]-3:C[5,6a,6a]-3:C[6,6,6a]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[6,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6a,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6a,6a]C[6,6,6a]2)	C[5,6a,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6]){3|C<4>,6|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6]){3|C<4>,7|C<3>}	C[5,6a,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6a,6a]C[6,6,6a]2){3|C<4>,6|C<3>}	120.0420	0.000	1	120.0420	0.000	1	120.0420	0.000	1	121.4948	1.082	80	121.4948	1.082	80	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6,6a]-3:	C[6,6a,6a]-3:C[5,6a,6a]-3:C[6,6,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6]){1|Cl<1>,2|C<4>,6|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6]){1|O<2>,2|C<4>,7|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6]){1|Cl<1>,1|C<4>,7|C<3>}	123.0990	0.000	1	123.0990	0.000	1	123.0990	0.000	1	121.4948	1.082	80	121.4948	1.082	80	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6,6a]-3:	C[6,6a,6a]-3:C[5,6a,6a]-3:C[6,6,6a]-3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6a,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])	C[5,6a,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6]){3|C<4>,7|C<3>}	C[5,6a,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6]){3|C<4>,6|C<3>}	120.1220	0.000	1	120.2335	0.025	2	120.2335	0.025	2	121.4948	1.082	80	121.4948	1.082	80	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6,6a]-3:	C[6,6a,6a]-3:C[5,6a,6a]-3:C[6,6,6a]-3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6a,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])	C[5,6a,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6]){3|C<4>,6|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6]){3|C<4>,7|C<3>}	C[5,6a,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	120.3450	0.000	1	120.2335	0.025	2	120.2335	0.025	2	121.4948	1.082	80	121.4948	1.082	80	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[6,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])	C[6,6a,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6,6a,6a]C[6,6,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a]){1|C<4>,7|C<3>}	C[6,6a,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6,6a,6a]C[6,6,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,3|C<4>,6|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	122.7650	0.000	1	122.7650	0.000	1	122.7650	0.000	1	121.4948	1.082	80	121.4948	1.082	80	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[6,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])	C[6,6a,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6,6a,6a]C[6,6,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[5,6,6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a]){1|C<4>,7|C<3>}	C[6,6a,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6,6a,6a]C[6,6,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,3|C<4>,6|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[5,6,6a]){1|C<4>,7|C<3>}	121.6170	0.000	1	121.6170	0.000	1	121.6170	0.000	1	121.4948	1.082	80	121.4948	1.082	80	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6a,6a]-3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a]){1|C<4>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	121.8560	0.000	1	121.8560	0.000	1	121.8560	0.000	1	121.4948	1.082	80	121.4948	1.082	80	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6a,6a]-3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,5,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,5,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,2|C<4>,7|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	120.7140	0.000	1	121.4605	1.115	2	121.2600	0.678	3	121.4948	1.082	80	121.4948	1.082	80	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6a,6a]-3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,5,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,5,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,3|C<4>,6|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	122.2070	0.000	1	121.4605	1.115	2	121.2600	0.678	3	121.4948	1.082	80	121.4948	1.082	80	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6a,6a]-3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,1|C<4>,8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	120.8590	0.000	1	120.8590	0.000	1	121.2600	0.678	3	121.4948	1.082	80	121.4948	1.082	80	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6a,6a]-3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,5,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[5,6,6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,5,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,3|C<4>,6|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[5,6,6a]){1|C<4>,7|C<3>}	120.2890	0.000	1	120.2890	0.000	1	120.2890	0.000	1	121.4948	1.082	80	121.4948	1.082	80	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6a,6a]-3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a]){1|C<4>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	120.9380	0.000	1	120.9380	0.000	1	120.9380	0.000	1	121.4948	1.082	80	121.4948	1.082	80	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6a,6a]-3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,5,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,5,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,2|C<4>,7|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,7|C<3>}	121.0290	0.000	1	121.0290	0.000	1	121.0805	0.005	2	121.4948	1.082	80	121.4948	1.082	80	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6a,6a]-3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,1|C<4>,8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,7|C<3>}	121.1320	0.000	1	121.1320	0.000	1	121.0805	0.005	2	121.4948	1.082	80	121.4948	1.082	80	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6a,6a]-3:	C[6,6a,6a]-3:C[5,6a,6a]-3:C[6,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6,6a]C[6,6a]S[6])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)2	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|S<2>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6,6a]C[6,6a]S[6]){8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)2{8|C<3>}	122.3020	0.000	1	122.3020	0.000	1	122.6103	0.072	3	121.4948	1.082	80	121.4948	1.082	80	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6a,6a]-3:	C[6,6a,6a]-3:C[5,6a,6a]-3:C[6,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6,6a]C[6,6a]Se[6])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)2	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|Se<2>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6,6a]C[6,6a]Se[6]){8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)2{8|C<3>}	122.7470	0.000	1	122.7470	0.000	1	122.6103	0.072	3	121.4948	1.082	80	121.4948	1.082	80	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6a,6a]-3:	C[6,6a,6a]-3:C[5,6a,6a]-3:C[6,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6,6a]C[6,6]C[6a])	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6,6a]C[6,6]C[6a]){1|Co<9>,1|C<4>,1|H<1>,7|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	122.7820	0.000	1	122.7820	0.000	1	122.6103	0.072	3	121.4948	1.082	80	121.4948	1.082	80	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6a,6a]-3:	C[6,6a,6a]-3:C[5,6a,6a]-3:C[6,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6,6a]C[6,6a]S[6])	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|S<2>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6,6a]C[6,6a]S[6]){8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6a]){8|C<3>}	120.1150	0.000	1	120.1150	0.000	1	120.3915	0.153	2	121.4948	1.082	80	121.4948	1.082	80	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6a,6a]-3:	C[6,6a,6a]-3:C[5,6a,6a]-3:C[6,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6,6a]C[6,6a]Se[6])	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|Se<2>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6,6a]C[6,6a]Se[6]){8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6a]){8|C<3>}	120.6680	0.000	1	120.6680	0.000	1	120.3915	0.153	2	121.4948	1.082	80	121.4948	1.082	80	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6a,6a]-3:	C[6,6a,6a]-3:C[5,6a,6a]-3:C[6,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6,6a]C[6,6]C[6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6a,6a]C[6a,6a]C[6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6,6a]C[6,6]C[6a]){1|Co<9>,1|C<4>,1|H<1>,7|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6a,6a]C[6a,6a]C[6a]){1|Co<9>,7|C<3>}	119.2650	0.000	1	119.2650	0.000	1	119.2650	0.000	1	121.4948	1.082	80	121.4948	1.082	80	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6a,6a]-3:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6,6a]C[6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)2	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6,6a]C[6,6])(C[5,6a,6a]C[5,6a,6a]2){1|H<1>,2|C<4>,7|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)2{8|C<3>}	121.8510	0.000	1	121.8510	0.000	1	121.3067	0.873	4	121.4948	1.082	80	121.4948	1.082	80	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6a,6a]-3:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[5,6,6a]C[3x6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[5,6,6a]C[3x6])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,7|C<3>}	120.1980	0.000	1	120.1980	0.000	1	121.3067	0.873	4	121.4948	1.082	80	121.4948	1.082	80	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6a,6a]-3:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,2|C<4>,7|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,7|C<3>}	122.2720	0.000	1	122.2720	0.000	1	121.3067	0.873	4	121.4948	1.082	80	121.4948	1.082	80	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6a,6a]-3:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])2(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,1|C<4>,8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])2(C[5,6a,6a]C[5,6a,6a]C[5,6,6a]){8|C<3>}	120.9060	0.000	1	120.9060	0.000	1	121.3067	0.873	4	121.4948	1.082	80	121.4948	1.082	80	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6a,6a]-3:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5a,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,1|C<4>,8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	122.5800	0.000	1	122.5800	0.000	1	122.2390	0.233	2	121.4948	1.082	80	121.4948	1.082	80	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6a,6a]-3:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5a,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,2|C<4>,7|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	121.8980	0.000	1	121.8980	0.000	1	122.2390	0.233	2	121.4948	1.082	80	121.4948	1.082	80	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6a,6a]-3:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6,6a]C[6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6,6a]C[6,6])(C[5,6a,6a]C[5,6a,6a]2){1|H<1>,2|C<4>,7|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a]){1|C<4>,7|C<3>}	120.3510	0.000	1	120.3510	0.000	1	120.3510	0.000	1	121.4948	1.082	80	121.4948	1.082	80	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6a,6a]-3:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[5,6,6a]C[3x6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[5,6,6a]C[3x6])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	122.3790	0.000	1	122.3790	0.000	1	122.3790	0.000	1	121.4948	1.082	80	121.4948	1.082	80	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[6,6,6a]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[3x6a]-3:	C[5,6a,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])	C[6,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6a,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[3x6a]C[6,6a,6a]C[3x6a])	C[5,6a,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a]){1|Cl<1>,2|C<4>,6|C<3>}	C[6,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6,6,6a]C[6,6,6a]C[5,6,6]){1|Cl<1>,2|C<4>,7|C<3>}	C[5,6a,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[3x6a]C[6,6a,6a]C[3x6a]){1|Cl<1>,1|C<4>,7|C<3>}	122.2780	0.107	2	122.2780	0.012	2	122.2780	0.012	2	121.4948	1.082	80	121.4948	1.082	80	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[6,6a,6a]C[5,6,6a]C[6,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[6,6a,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[6,6a,6a]C[5,6,6a]C[6,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,7|C<3>}	C[6,6a,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	122.3670	0.100	2	122.3670	0.010	2	122.3670	0.010	2	121.4948	1.082	80	121.4948	1.082	80	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[6,6a,6a]C[5,6,6a]C[6,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[6,6a,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[6,6a,6a]C[5,6,6a]C[6,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,7|C<3>}	C[6,6a,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,7|C<3>}	120.9560	0.000	1	120.9560	0.000	1	120.8880	0.009	2	121.4948	1.082	80	121.4948	1.082	80	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[6,6a,6a]C[5,6,6a]C[6,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[6,6a,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])	C[5,6a,6a](C[6,6a,6a]C[5,6,6a]C[6,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,7|C<3>}	C[6,6a,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a]){1|C<4>,7|C<3>}	120.8200	0.000	1	120.8200	0.000	1	120.8880	0.009	2	121.4948	1.082	80	121.4948	1.082	80	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|O<2>,9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	121.3220	0.000	1	121.3220	0.000	1	121.3220	0.000	1	121.4948	1.082	80	121.4948	1.082	80	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])2(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])	C[5,6a,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|O<2>,9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])2(C[5,6a,6a]C[5,6a,6a]C[5,6,6a]){8|C<3>}	120.8390	0.000	1	120.8390	0.000	1	120.8390	0.000	1	121.4948	1.082	80	121.4948	1.082	80	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[6,6a,6a]-3:C[5,6a,6a]-3:C[6,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[5,6a,6a]C[5,6a,6a]2)2	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6,6a]C[5,6a]S[6])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)2	C[5,6a,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[5,6a,6a]C[5,6a,6a]2)2{1|S<2>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6,6a]C[5,6a]S[6]){1|C<4>,7|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)2{8|C<3>}	123.4920	0.000	1	123.4920	0.000	1	121.6830	6.545	2	121.4948	1.082	80	121.4948	1.082	80	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[6,6a,6a]-3:C[5,6a,6a]-3:C[6,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[5,6a,6a]C[5,6a,6a]2)2	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6,6a]C[5,6a]S[6])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[5,6a,6a]C[5,6a,6a]2)2{1|S<2>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6,6a]C[5,6a]S[6]){1|C<4>,7|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,7|C<3>}	119.8740	0.000	1	119.8740	0.000	1	121.6830	6.545	2	121.4948	1.082	80	121.4948	1.082	80	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6a,6a]C[5,6a,6a]2)2	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6a,6a]C[5,6a,6a]2)2{1|C<4>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,1|C<4>,8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,7|C<3>}	120.2370	0.000	1	120.2370	0.000	1	121.6020	3.726	2	121.4948	1.082	80	121.4948	1.082	80	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6a,6a]C[5,6a,6a]2)2	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6a,6a]C[5,6a,6a]2)2{1|C<4>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,1|C<4>,8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	122.9670	0.000	1	122.9670	0.000	1	121.6020	3.726	2	121.4948	1.082	80	121.4948	1.082	80	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C[6,6a,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:S[5]-2:	C[5,6a,6a](C[5,6a]C[6a,6a]S[5])2(C[6,6a,6a]C[6,6a]2)	C[6,6a,6a](C[6,6a]C[6a,6a]C[6])2(C[5,6a,6a]C[5,6a]2)	C[5,6a](C[5,6a,6a]C[6,6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(S[5]S[5])	C[5,6a,6a](C[5,6a]C[6a,6a]S[5])2(C[6,6a,6a]C[6,6a]2){6|C<3>}	C[6,6a,6a](C[6,6a]C[6a,6a]C[6])2(C[5,6a,6a]C[5,6a]2){1|N<3>,2|O<1>,2|S<2>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6,6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(S[5]S[5]){1|H<1>,5|C<3>}	121.4620	0.222	2	121.4620	0.049	2	121.4620	0.049	2	120.2029	0.857	8	122.9854	4.038	27	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[6,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[5,6a,6a]-3:C[6a]-3:S[5]-2:	C[5,6a,6a](C[6,6a,6a]C[6,6a]2)(C[5,6a]C[6a]S[5])2	C[6,6a,6a](C[5,6a,6a]C[5,6a]2)(C[6,6a]C[6a]C[6])2	C[5,6a](C[5,6a,6a]C[6,6a,6a]C[5,6a])(C[6a]C[6a]H)(S[5]S[5])	C[5,6a,6a](C[6,6a,6a]C[6,6a]2)(C[5,6a]C[6a]S[5])2{2|H<1>,4|C<3>}	C[6,6a,6a](C[5,6a,6a]C[5,6a]2)(C[6,6a]C[6a]C[6])2{1|N<3>,2|C<3>,2|H<1>,2|O<1>,2|S<2>}	C[5,6a](C[5,6a,6a]C[6,6a,6a]C[5,6a])(C[6a]C[6a]H)(S[5]S[5]){1|H<1>,3|C<3>}	120.4725	0.013	2	120.4725	0.000	2	120.4725	0.000	2	120.2029	0.857	8	122.9854	4.038	27	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[6,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[5,6a,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a,6a](C[6,6a,6a]C[6,6a]2)(C[5,6a]C[6a]Se[5])2	C[6,6a,6a](C[5,6a,6a]C[5,6a]2)(C[6,6a]C[6a]C[6])2	C[5,6a](C[5,6a,6a]C[6,6a,6a]C[5,6a])(C[6a]C[6a]Cl)(Se[5]Se[5])	C[5,6a,6a](C[6,6a,6a]C[6,6a]2)(C[5,6a]C[6a]Se[5])2{2|Cl<1>,4|C<3>}	C[6,6a,6a](C[5,6a,6a]C[5,6a]2)(C[6,6a]C[6a]C[6])2{2|Se<2>,1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[5,6a](C[5,6a,6a]C[6,6a,6a]C[5,6a])(C[6a]C[6a]Cl)(Se[5]Se[5]){1|H<1>,3|C<3>}	119.4385	0.313	4	119.4385	0.098	4	119.4385	0.098	4	120.2029	0.857	8	122.9854	4.038	27	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6,6a,6a]-3:	C[5,6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[5,6a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,5a]C[6a])2(C[6,6a,6a]C[6,6a]2)	C[6,6a,6a](C[5,6a,6a]C[5,6a]2)(C[6,6a]C[6a]C[6])2	C[5,6a](C[5,6a,6a]C[6,6a,6a]C[5,6a])(C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,5a]C[6a])2(C[6,6a,6a]C[6,6a]2){2|H<1>,6|C<3>}	C[6,6a,6a](C[5,6a,6a]C[5,6a]2)(C[6,6a]C[6a]C[6])2{1|O<2>,2|H<1>,2|O<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6,6a,6a]C[5,6a])(C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	123.1810	0.427	2	123.1810	0.182	2	123.1810	0.182	2	123.1810	0.182	2	122.9854	4.038	27	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[6,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[6,6a,6a]C[6,6a]2)(C[5,6a]C[6a]C[5])2	C[6,6a,6a](C[5,6a,6a]C[5,6a]2)(C[6,6a]C[6a]C[6])2	C[5,6a](C[5,6a,6a]C[6,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[6,6a,6a]C[6,6a]2)(C[5,6a]C[6a]C[5])2{4|C<3>,6|H<1>}	C[6,6a,6a](C[5,6a,6a]C[5,6a]2)(C[6,6a]C[6a]C[6])2{1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[5,6a](C[5,6a,6a]C[6,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	123.0680	0.000	1	123.0680	0.000	1	124.2973	0.419	15	124.2718	0.541	17	122.9854	4.038	27	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[6,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[6,6a,6a]C[6,6a]2)(C[5,6a]C[6a]C[5])2	C[6,6a,6a](C[5,6a,6a]C[5,6a]2)(C[6,6a]C[6a]P[6])2	C[5,6a](C[5,6a,6a]C[6,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[6,6a,6a]C[6,6a]2)(C[5,6a]C[6a]C[5])2{2|C<3>,2|P<4>,6|H<1>}	C[6,6a,6a](C[5,6a,6a]C[5,6a]2)(C[6,6a]C[6a]P[6])2{1|S<2>,2|C<3>,2|H<1>,2|S<1>,4|C<4>}	C[5,6a](C[5,6a,6a]C[6,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	124.5652	0.908	4	124.3851	0.327	14	124.2973	0.419	15	124.2718	0.541	17	122.9854	4.038	27	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[6,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[6,6a,6a]C[6,6a]2)(C[5,6a]C[6a]C[5])2	C[6,6a,6a](C[5,6a,6a]C[5,6a]2)(C[6,6a]C[6a]P[6])2	C[5,6a](C[5,6a,6a]C[6,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[6,6a,6a]C[6,6a]2)(C[5,6a]C[6a]C[5])2{2|C<3>,2|P<4>,6|H<1>}	C[6,6a,6a](C[5,6a,6a]C[5,6a]2)(C[6,6a]C[6a]P[6])2{2|B<4>,2|C<3>,2|H<1>,5|C<4>}	C[5,6a](C[5,6a,6a]C[6,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	124.2405	0.664	4	124.3851	0.327	14	124.2973	0.419	15	124.2718	0.541	17	122.9854	4.038	27	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[6,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[6,6a,6a]C[6,6a]2)(C[5,6a]C[6a]C[5])2	C[6,6a,6a](C[5,6a,6a]C[5,6a]2)(C[6,6a]C[6a]P[6])2	C[5,6a](C[5,6a,6a]C[6,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[6,6a,6a]C[6,6a]2)(C[5,6a]C[6a]C[5])2{2|C<3>,2|P<4>,6|H<1>}	C[6,6a,6a](C[5,6a,6a]C[5,6a]2)(C[6,6a]C[6a]P[6])2{2|B<4>,2|C<3>,3|H<1>,4|C<4>}	C[5,6a](C[5,6a,6a]C[6,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	124.4567	0.179	4	124.3851	0.327	14	124.2973	0.419	15	124.2718	0.541	17	122.9854	4.038	27	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[6,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[6,6a,6a]C[6,6a]2)(C[5,6a]C[6a]C[5])2	C[6,6a,6a](C[5,6a,6a]C[5,6a]2)(C[6,6a]C[6a]P[6])2	C[5,6a](C[5,6a,6a]C[6,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[6,6a,6a]C[6,6a]2)(C[5,6a]C[6a]C[5])2{2|C<3>,2|P<4>,6|H<1>}	C[6,6a,6a](C[5,6a,6a]C[5,6a]2)(C[6,6a]C[6a]P[6])2{2|B<4>,2|H<1>,3|C<3>,4|C<4>}	C[5,6a](C[5,6a,6a]C[6,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	124.1705	0.185	2	124.3851	0.327	14	124.2973	0.419	15	124.2718	0.541	17	122.9854	4.038	27	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6,6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[6,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[6,6a]-3:C[5,6a,6a]-3:C[6,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[6,6a,6a]C[6,6a]2)(C[5,6a]C[6a]C[5])2	C[6,6a,6a](C[6,6a]C[6,6a]C[6a])(C[5,6a,6a]C[5,6a]2)(C[6,6a]C[6a]B[6])	C[5,6a](C[5,6a,6a]C[6,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[6,6a,6a]C[6,6a]2)(C[5,6a]C[6a]C[5])2{1|B<3>,3|C<3>,6|H<1>}	C[6,6a,6a](C[6,6a]C[6,6a]C[6a])(C[5,6a,6a]C[5,6a]2)(C[6,6a]C[6a]B[6]){2|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	124.0805	1.644	2	124.0805	2.703	2	124.0805	2.703	2	124.2718	0.541	17	122.9854	4.038	27	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[6,6a]-3:	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6,6a]C[5,6a])(C[6a]C[6a]H)2	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6a])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6,6a]B[6,6]C[6a])	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6a,6a]C[6a]2){1|B<4>,3|H<1>,4|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6,6a]C[5,6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6a])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6,6a]B[6,6]C[6a]){1|H<1>,1|N<3>,7|C<3>}	122.4650	0.139	2	122.4650	0.019	2	122.4650	0.019	2	120.6539	1.319	15	121.0742	1.377	22	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:N[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]C[6a]Ga[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6,6a]N[5,6a])(C[6a]C[6a]H)2	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]Ga[5]C[6])	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]C[6a]Ga[5])(C[6a,6a]C[6a]2){1|O<3>,3|F<1>,3|H<1>,4|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6,6a]N[5,6a])(C[6a]C[6a]H)2{1|Ga<6>,1|N<3>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]Ga[5]C[6]){1|O<3>,3|F<1>,3|H<1>,4|C<3>}	120.2530	0.000	1	120.2530	0.000	1	120.5180	0.432	6	120.6539	1.319	15	121.0742	1.377	22	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:N[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]C[6a]In[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6,6a]N[5,6a])(C[6a]C[6a]H)2	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]In[5]C[6])	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]C[6a]In[5])(C[6a,6a]C[6a]2){1|Cl<1>,3|H<1>,3|O<2>,4|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6,6a]N[5,6a])(C[6a]C[6a]H)2{1|In<6>,1|N<3>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]In[5]C[6]){1|Cl<1>,3|H<1>,3|O<2>,4|C<3>}	119.4140	0.000	1	119.4140	0.000	1	120.5180	0.432	6	120.6539	1.319	15	121.0742	1.377	22	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:N[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]C[6a]Si[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6,6a]N[5,6a])(C[6a]C[6a]H)2	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6])	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]C[6a]Si[5])(C[6a,6a]C[6a]2){1|C<2>,3|F<1>,3|H<1>,4|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6,6a]N[5,6a])(C[6a]C[6a]H)2{1|Si<6>,1|N<3>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6]){1|C<2>,3|F<1>,3|H<1>,4|C<3>}	121.0045	0.315	2	120.8603	0.134	4	120.5180	0.432	6	120.6539	1.319	15	121.0742	1.377	22	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:N[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]C[6a]Si[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6,6a]N[5,6a])(C[6a]C[6a]H)2	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6])	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]C[6a]Si[5])(C[6a,6a]C[6a]2){2|N<2>,2|N<3>,3|H<1>,4|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6,6a]N[5,6a])(C[6a]C[6a]H)2{1|Si<6>,1|N<3>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6]){2|N<2>,2|N<3>,3|H<1>,4|C<3>}	120.3850	0.000	1	120.8603	0.134	4	120.5180	0.432	6	120.6539	1.319	15	121.0742	1.377	22	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:N[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]C[6a]Si[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6,6a]N[5,6a])(C[6a]C[6a]H)2	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6])	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]C[6a]Si[5])(C[6a,6a]C[6a]2){4|Cl<1>,3|H<1>,4|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6,6a]N[5,6a])(C[6a]C[6a]H)2{1|Si<6>,1|N<3>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6]){4|Cl<1>,3|H<1>,4|C<3>}	121.0470	0.000	1	120.8603	0.134	4	120.5180	0.432	6	120.6539	1.319	15	121.0742	1.377	22	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:N[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:N[5,6]-3:C[6,6a]-3:	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]Ga[5,5]C[6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6,6a]N[5,6a])(C[6a]C[6a]H)2	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(N[5,6]Ga[5,5]C[6])(C[6,6a]C[6a]C[6])	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]Ga[5,5]C[6a])(C[6a,6a]C[6a]2){2|Cl<1>,2|N<3>,3|H<1>,4|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6,6a]N[5,6a])(C[6a]C[6a]H)2{1|Ga<6>,1|N<3>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(N[5,6]Ga[5,5]C[6])(C[6,6a]C[6a]C[6]){2|Cl<1>,2|N<3>,3|H<1>,4|C<3>}	119.9730	0.000	1	119.9730	0.000	1	120.7706	0.915	5	120.6539	1.319	15	121.0742	1.377	22	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:N[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:N[5,6]-3:C[6,6a]-3:	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]In[4,5,6]C[6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6,6a]N[5,6a])(C[6a]C[6a]H)2	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(N[5,6]In[4,5,6]C[6])(C[6,6a]C[6a]C[6])	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]In[4,5,6]C[6a])(C[6a,6a]C[6a]2){1|Cl<1>,1|Se<3>,2|Se<2>,3|H<1>,4|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6,6a]N[5,6a])(C[6a]C[6a]H)2{1|In<6>,1|N<3>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(N[5,6]In[4,5,6]C[6])(C[6,6a]C[6a]C[6]){1|Cl<1>,1|Se<3>,2|Se<2>,3|H<1>,4|C<3>}	121.3070	0.000	1	121.3070	0.000	1	120.7706	0.915	5	120.6539	1.319	15	121.0742	1.377	22	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:N[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:N[5,6]-3:C[6,6a]-3:	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]In[5,5]C[6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6,6a]N[5,6a])(C[6a]C[6a]H)2	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(N[5,6]In[5,5]C[6])(C[6,6a]C[6a]C[6])	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]In[5,5]C[6a])(C[6a,6a]C[6a]2){2|I<1>,2|N<3>,3|H<1>,4|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6,6a]N[5,6a])(C[6a]C[6a]H)2{1|In<6>,1|N<3>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(N[5,6]In[5,5]C[6])(C[6,6a]C[6a]C[6]){2|I<1>,2|N<3>,3|H<1>,4|C<3>}	119.5330	0.000	1	119.5330	0.000	1	120.7706	0.915	5	120.6539	1.319	15	121.0742	1.377	22	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:N[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:N[5,6]-3:C[6,6a]-3:	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]Si[3x5]C[6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6,6a]N[5,6a])(C[6a]C[6a]H)2	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(N[5,6]Si[3x5]C[6])(C[6,6a]C[6a]C[6])	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]Si[3x5]C[6a])(C[6a,6a]C[6a]2){2|N<3>,2|O<2>,3|H<1>,4|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6,6a]N[5,6a])(C[6a]C[6a]H)2{1|Si<6>,1|N<3>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(N[5,6]Si[3x5]C[6])(C[6,6a]C[6a]C[6]){2|N<3>,2|O<2>,3|H<1>,4|C<3>}	121.5200	0.283	2	121.5200	0.080	2	120.7706	0.915	5	120.6539	1.319	15	121.0742	1.377	22	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:3:	N[5,6a]-3:C[5,6,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:N[5,6]-3:C[6,6a]-3:	C[5,6a,6a](N[5,6a]In[3x4,5,3x6]C[6a])(C[5,6,6a]C[6,6a]N[5,6])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6,6a]N[5,6a])(C[6a]C[6a]H)2	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(N[5,6]In[3x4,5,3x6]C[6])(C[6,6a]C[6a]C[6])	C[5,6a,6a](N[5,6a]In[3x4,5,3x6]C[6a])(C[5,6,6a]C[6,6a]N[5,6])(C[6a,6a]C[6a]2){1|Cl<1>,3|H<1>,3|S<3>,4|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6,6a]N[5,6a])(C[6a]C[6a]H)2{1|In<6>,1|N<3>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(N[5,6]In[3x4,5,3x6]C[6])(C[6,6a]C[6a]C[6]){1|Cl<1>,3|H<1>,3|S<3>,4|C<3>}	118.9585	0.380	2	118.9585	0.144	2	118.9585	0.144	2	120.6539	1.319	15	121.0742	1.377	22	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6,6]-4:C[6,6a]-3:	C[5,6a,6a](C[5,6,6a]C[5,6,6]C[6,6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6,6a]2)(C[6a]C[6a]H)2	C[5,6,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(C[5,6,6]C[5,6,6]C[6,6]Ru)(C[6,6a]C[6a]C[6])	C[5,6a,6a](C[5,6,6a]C[5,6,6]C[6,6a])2(C[6a,6a]C[6a]2){1|Ru<12>,2|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6,6a]2)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(C[5,6,6]C[5,6,6]C[6,6]Ru)(C[6,6a]C[6a]C[6]){2|C<4>,2|H<1>,4|C<3>}	122.2680	0.523	4	122.2680	0.273	4	122.2680	0.273	4	121.9749	0.355	7	121.0742	1.377	22	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6]-4:C[6,6a]-3:	C[5,6a,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6,6a]C[5,6a])(C[6a]C[6a]H)2	C[5,6,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5]C[6]Mo)(C[6,6a]C[6a]C[6])	C[5,6a,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|Mo<10>,1|C<4>,3|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6,6a]C[5,6a])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5]C[6]Mo)(C[6,6a]C[6a]C[6]){4|C<3>,4|H<1>}	122.1600	0.000	1	122.1600	0.000	1	122.1600	0.000	1	121.9749	0.355	7	121.0742	1.377	22	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6,6]-4:C[6,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(C[5,6,6a]C[5,6,6]C[6,6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6a]C[6a]H)2	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6,6]C[5,6,6a]C[6,6]C)(C[6,6a]C[6a]C[6])	C[5,6a,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(C[5,6,6a]C[5,6,6]C[6,6a])(C[6a,6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6,6]C[5,6,6a]C[6,6]C)(C[6,6a]C[6a]C[6]){2|H<1>,6|C<3>}	121.2960	0.096	2	121.2960	0.009	2	121.2960	0.009	2	121.9749	0.355	7	121.0742	1.377	22	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(C[5,6,6a]C[5,6,6]C[6,6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6a]C[6a]H)2	C[5,6a,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(C[5,6,6a]C[5,6,6]C[6,6a])(C[6a,6a]C[6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(C[5,6,6a]C[5,6,6]C[6,6a])(C[6a,6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(C[5,6,6a]C[5,6,6]C[6,6a])(C[6a,6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	123.4260	0.431	2	123.4260	0.186	2	123.4260	0.186	2	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[5,6,6a]C[6a])	C[6a,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[5,6,6a]C[6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[5,6,6a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	C[6a,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[5,6,6a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	123.2492	0.697	6	123.2492	0.486	6	122.6220	0.702	12	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[5,6,6a]C[6a])	C[6a,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[5,6,6a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	C[6a,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	121.9948	0.337	6	121.9948	0.114	6	122.6220	0.702	12	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[5,6a]C[6a])	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[5,6a]C[6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[5,6a]C[6a]){1|H<1>,7|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[5,6a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	123.6329	1.095	9	123.6329	1.198	9	123.2426	0.901	36	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[5,6a]C[6a])	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[5,6a]C[6a]){1|H<1>,7|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	123.1170	0.734	9	123.1170	0.539	9	123.2426	0.901	36	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[5,6a]C[6a])	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[5,6a]C[6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[5,6a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[5,6a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	122.4963	0.777	8	123.1352	0.975	17	123.2426	0.901	36	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[5,6a]C[6a])	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[5,6a]C[6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[5,6a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[5,6a]C[6a]){1|H<1>,7|C<3>}	123.7031	0.807	9	123.1352	0.975	17	123.2426	0.901	36	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[5,6a]C[6a])	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[5,6a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	122.6880	0.000	1	122.6880	0.000	1	123.2426	0.901	36	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6,6a]C[6a])	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6,6a]C[6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6,6a]C[6a]){1|H<1>,1|S<4>,6|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H){1|H<1>,1|S<4>,2|O<1>,5|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6,6a]C[6a]){1|H<1>,1|S<4>,6|C<3>}	123.7215	0.401	6	123.7215	0.161	6	123.5794	0.186	8	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6,6a]C[6a])	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6,6a]C[6a]){1|H<1>,1|S<4>,6|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H){1|H<1>,1|S<4>,2|O<1>,5|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	123.1530	0.099	2	123.1530	0.010	2	123.5794	0.186	8	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a,6a]C[5,6a])	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a,6a]C[5,6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a,6a]C[5,6a]){8|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5]){1|H<1>,1|N<3>,1|O<1>,7|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a,6a]C[5,6a]){8|C<3>}	125.3427	0.542	4	125.3427	0.294	4	124.7193	0.771	7	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a,6a]C[5,6a])	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a,6a]C[6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a,6a]C[5,6a]){8|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5]){1|H<1>,1|N<3>,1|O<1>,7|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,7|C<3>}	123.8880	0.240	3	123.8880	0.058	3	124.7193	0.771	7	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[5,6a,6a]C[5,6a,6a]C[5,6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,7|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C){1|C<4>,1|H<1>,6|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[5,6a,6a]C[5,6a,6a]C[5,6a]){1|C<4>,7|C<3>}	122.7450	0.509	2	122.7450	0.259	2	122.7450	0.259	2	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a,6a]C[6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,7|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C){1|C<4>,1|H<1>,6|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,7|C<3>}	122.6445	0.361	2	122.6445	0.131	2	123.2780	0.486	32	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a,6a]C[6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,7|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,7|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,7|C<3>}	123.3580	0.178	2	123.3580	0.032	2	123.2780	0.486	32	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,7|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,7|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	123.6330	0.178	2	123.6330	0.032	2	123.2780	0.486	32	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6a,6a]C[6a,6a]C[6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,7|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,7|C<3>}	123.3735	0.821	2	123.3735	0.674	2	123.2780	0.486	32	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a,6a]C[5,6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,7|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a,6a]C[5,6a]){8|C<3>}	124.5790	0.363	4	124.5790	0.132	4	123.2780	0.486	32	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a,6a]C[6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,7|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,7|C<3>}	123.0721	0.723	7	123.0721	0.523	7	123.2780	0.486	32	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,7|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	123.0045	0.357	13	123.0045	0.128	13	123.2780	0.486	32	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[5,6a,6a]C[5,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6a,6a]C[6a]2){1|C<4>,1|H<1>,6|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[5,6a]C)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[5,6a,6a]C[5,6a]2){8|C<3>}	121.7340	0.000	1	121.7340	0.000	1	121.4890	0.222	7	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6a,6a]C[5,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6a,6a]C[5,6a]2){8|C<3>}	121.4690	0.000	1	121.4690	0.000	1	121.4890	0.222	7	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[5,6a,6a]C[5,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[5,6a,6a]C[5,6a]2){8|C<3>}	120.6390	0.000	1	120.6390	0.000	1	121.4890	0.222	7	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a,6a]C[5,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a,6a]C[5,6a]2){8|C<3>}	121.3335	0.165	2	121.3335	0.027	2	121.4890	0.222	7	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[5a,6a]H)(C[6a]C[5,6a]H)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[5,6a,6a]C[5,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[5a,6a]H)(C[6a]C[5,6a]H){6|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[5,6a,6a]C[5,6a]2){8|C<3>}	121.9570	0.190	2	121.9570	0.036	2	121.4890	0.222	7	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5a,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[5a,6a]H)(C[6a]C[5,6a]H)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[5a,6a,6a]C[5a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[5a,6a]H)(C[6a]C[5,6a]H){6|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[5a,6a,6a]C[5a,6a]2){8|C<3>}	121.1870	0.000	1	121.1870	0.000	1	121.1870	0.000	1	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6,6a,6a]C[6,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6,6a,6a]C[6,6a]2){1|C<4>,7|C<3>}	122.1460	0.000	1	122.1460	0.000	1	122.3600	0.092	2	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6,6a]O)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6,6a,6a]C[6,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[6a,6a]C[6a]2){1|H<1>,1|O<2>,6|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6,6a,6a]C[6,6a]2){1|C<4>,7|C<3>}	122.5740	0.000	1	122.5740	0.000	1	122.3600	0.092	2	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	122.4670	0.000	1	122.4670	0.000	1	122.9410	3.145	249	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6,6a]O)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[6a,6a]C[6a]2){1|H<1>,1|O<2>,6|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	122.1310	0.000	1	122.1310	0.000	1	122.9410	3.145	249	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[6a,6a]C[6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6a,6a]C[6a]2){1|C<4>,1|H<1>,6|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[5,6a]C)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[6a,6a]C[6a]2){1|C<4>,1|H<1>,6|C<3>}	122.6050	0.000	1	122.6050	0.000	1	122.9410	3.145	249	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6a,6a]C[6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	122.0145	0.152	4	122.0145	0.023	4	122.9410	3.145	249	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[6a,6a]C[6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	122.4240	0.000	1	122.4240	0.000	1	122.9410	3.145	249	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){1|H<1>,7|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	123.1940	0.180	2	123.1940	0.032	2	122.9410	3.145	249	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){1|H<1>,7|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	123.0630	0.222	2	123.1180	0.066	4	122.9410	3.145	249	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){1|H<1>,7|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	123.1730	0.371	2	123.1180	0.066	4	122.9410	3.145	249	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){1|Br<1>,1|H<1>,6|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|Br<1>,1|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){1|Br<1>,1|H<1>,6|C<3>}	122.8057	0.593	6	122.7430	0.302	8	122.9410	3.145	249	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){1|Br<1>,1|H<1>,6|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|Br<1>,1|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	122.5550	0.515	2	122.7430	0.302	8	122.9410	3.145	249	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){1|C<2>,1|H<1>,6|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){1|C<4>,1|H<1>,6|C<3>}	122.8540	0.033	2	123.0920	0.051	8	122.9410	3.145	249	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){1|C<2>,1|H<1>,6|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	123.2230	0.049	2	123.0920	0.051	8	122.9410	3.145	249	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){1|C<4>,1|H<1>,6|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,1|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){1|C<2>,1|H<1>,6|C<3>}	123.0630	0.139	2	123.0920	0.051	8	122.9410	3.145	249	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){1|C<4>,1|H<1>,6|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,1|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){1|C<4>,1|H<1>,6|C<3>}	123.2280	0.382	2	123.0920	0.051	8	122.9410	3.145	249	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){1|C<4>,1|H<1>,6|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	123.4048	0.451	10	123.4048	0.204	10	122.9410	3.145	249	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){1|H<1>,7|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|Ir<6>,1|H<1>,1|N<3>,5|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){1|Ir<6>,1|H<1>,6|C<3>}	122.3400	0.000	1	123.3588	0.639	4	122.9410	3.145	249	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){1|H<1>,7|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|Ir<6>,1|H<1>,1|N<3>,5|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	123.9740	0.000	1	123.3588	0.639	4	122.9410	3.145	249	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){1|H<1>,7|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|Pt<4>,1|H<1>,1|N<3>,5|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){1|Pt<4>,1|H<1>,6|C<3>}	123.1030	0.000	1	123.3588	0.639	4	122.9410	3.145	249	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){1|H<1>,7|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|Pt<4>,1|H<1>,1|N<3>,5|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	124.0180	0.000	1	123.3588	0.639	4	122.9410	3.145	249	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]S)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){1|H<1>,1|S<2>,6|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]S){1|H<1>,1|S<2>,4|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){1|H<1>,1|S<2>,6|C<3>}	122.8928	5.429	20	122.8928	29.479	20	122.9410	3.145	249	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]H)2	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[6a,6a]C[6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[6a,6a]C[6a]2){1|H<1>,1|O<2>,6|C<3>}	122.3600	0.000	1	122.6025	0.118	2	122.9410	3.145	249	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]H)2	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[6a,6a]C[6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	122.8450	0.000	1	122.6025	0.118	2	122.9410	3.145	249	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]H)2	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6a,6a]C[6a,6a]C[6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,7|C<3>}	122.5380	0.420	2	122.5380	0.176	2	122.9410	3.145	249	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]H)2	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[5,6,6a]C[6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[5,6,6a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	122.8738	0.986	6	122.8738	0.972	6	122.9410	3.145	249	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]H)2	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[5,6a]C[6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[5,6a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	122.6980	0.000	1	122.9688	0.342	9	122.9410	3.145	249	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]H)2	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[5,6a]C[6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[5,6a]C[6a]){1|H<1>,7|C<3>}	123.0026	0.616	8	122.9688	0.342	9	122.9410	3.145	249	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]H)2	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6,6a]C[6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6,6a]C[6a]){1|H<1>,1|S<4>,6|C<3>}	123.1250	0.710	2	123.1250	0.504	2	122.9410	3.145	249	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]H)2	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a,6a]C[6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,7|C<3>}	123.2431	0.718	16	123.2431	0.516	16	122.9410	3.145	249	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]H)2	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){1|C<4>,1|H<1>,6|C<3>}	122.1920	0.582	5	122.9022	1.279	144	122.9410	3.145	249	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]H)2	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	122.9440	0.358	5	122.9022	1.279	144	122.9410	3.145	249	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]H)2	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]H)2{1|H<1>,5|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){1|H<1>,7|C<3>}	122.2777	0.451	3	122.9022	1.279	144	122.9410	3.145	249	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]H)2	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]H)2{1|H<1>,5|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	123.2617	0.209	3	122.9022	1.279	144	122.9410	3.145	249	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]H)2	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){1|Br<1>,1|H<1>,6|C<3>}	122.5275	0.293	2	122.9022	1.279	144	122.9410	3.145	249	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]H)2	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){1|C<2>,1|H<1>,6|C<3>}	123.1325	0.248	2	122.9022	1.279	144	122.9410	3.145	249	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]H)2	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){1|C<4>,1|H<1>,6|C<3>}	122.9332	0.438	5	122.9022	1.279	144	122.9410	3.145	249	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]H)2	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){1|H<1>,7|C<3>}	123.3128	0.713	5	122.9022	1.279	144	122.9410	3.145	249	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]H)2	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){1|Ir<6>,1|H<1>,6|C<3>}	123.4740	0.000	1	122.9022	1.279	144	122.9410	3.145	249	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]H)2	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){1|Pt<4>,1|H<1>,6|C<3>}	122.7120	0.000	1	122.9022	1.279	144	122.9410	3.145	249	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]H)2	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	122.9187	1.244	112	122.9022	1.279	144	122.9410	3.145	249	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){1|Ir<6>,1|H<1>,6|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){1|H<1>,7|C<3>}	123.2060	0.000	1	123.3570	0.046	2	122.9410	3.145	249	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){1|Ir<6>,1|H<1>,6|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	123.5080	0.000	1	123.3570	0.046	2	122.9410	3.145	249	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]Pt)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){1|Pt<4>,1|H<1>,6|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]Pt)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){1|H<1>,7|C<3>}	122.1420	0.000	1	123.3600	2.967	2	122.9410	3.145	249	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]Pt)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){1|Pt<4>,1|H<1>,6|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]Pt)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	124.5780	0.000	1	123.3600	2.967	2	122.9410	3.145	249	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[5,6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6,6a]Co)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a,6a]C[5,6a,6a]2)2	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6a,6a]C[6a,6a]C[6a]){1|Co<9>,7|C<3>}	C[6a,6a](C[6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6,6a]Co){1|C<4>,7|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a,6a]C[5,6a,6a]2)2{8|C<3>}	122.8210	0.000	1	122.8210	0.000	1	123.3740	0.430	4	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[5,6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6,6a]Co)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6a,6a]C[6a,6a]C[6a]){1|Co<9>,7|C<3>}	C[6a,6a](C[6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6,6a]Co){1|C<4>,7|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	122.8160	0.000	1	122.8160	0.000	1	123.3740	0.430	4	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[5,6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[5,6a,6a]C[6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[5,6a,6a]C[5,6a,6a]C[5,6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[5,6a,6a]C[6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[5,6a,6a]C[5,6a,6a]C[5,6a]){1|C<4>,7|C<3>}	123.9295	0.234	2	123.9295	0.055	2	123.3740	0.430	4	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[5,6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6,6a]Co)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6a,6a]C[6a,6a]C[6a]){1|Co<9>,7|C<3>}	C[6a,6a](C[6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6,6a]Co){1|C<4>,7|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6a]){1|C<4>,7|C<3>}	119.3630	0.000	1	119.3630	0.000	1	119.3630	0.000	1	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[5,6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[5,6a,6a]C[6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[5,6a,6a]C[6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	122.6895	0.319	2	122.6895	0.102	2	123.1432	0.497	4	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[5,6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a,6a]C[6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]H){1|H<1>,7|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,7|C<3>}	124.1290	0.000	1	124.1290	0.000	1	123.1432	0.497	4	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[5,6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]H){1|H<1>,7|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	123.0650	0.000	1	123.0650	0.000	1	123.1432	0.497	4	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[5,6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6,6a]Co)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6a,6a]C[6a,6a]C[6a]){1|Co<9>,7|C<3>}	C[6a,6a](C[6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6,6a]Co){1|C<4>,7|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,7|C<3>}	119.8230	0.000	1	119.8230	0.000	1	119.8230	0.000	1	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]2)2(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[5,6a,6a]C[6a])2(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a,6a]C[5,6a,6a]2)2	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]2)2(C[6a,6a]C[6a,6a]2){8|C<3>}	C[6a,6a](C[6a,6a]C[5,6a,6a]C[6a])2(C[5,6a,6a]C[5,6a,6a]2){1|Co<9>,8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a,6a]C[5,6a,6a]2)2{8|C<3>}	122.1730	0.000	1	122.1730	0.000	1	121.1640	2.036	2	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]2)2(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[5,6a,6a]C[6a])2(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]2)2(C[6a,6a]C[6a,6a]2){8|C<3>}	C[6a,6a](C[6a,6a]C[5,6a,6a]C[6a])2(C[5,6a,6a]C[5,6a,6a]2){1|Co<9>,8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	120.1550	0.000	1	120.1550	0.000	1	121.1640	2.036	2	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[5a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])	C[5,6a,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5,6a,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[5a,6a]C[6a])(C[5,6a]C[6a,6a]C[5]){1|H<1>,7|C<3>}	124.2820	0.000	1	124.2820	0.000	1	124.2820	0.000	1	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[5a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])	C[6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5,6a,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[5a,6a]C[6a])(C[5,6a]C[6a,6a]C[5]){1|H<1>,7|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H){8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	120.6300	0.000	1	120.6300	0.000	1	120.6300	0.000	1	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[6a]C[5])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5]){4|H<1>,5|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5,6a,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[6a]C[5]){1|C<4>,2|H<1>,6|C<3>}	122.9900	0.037	2	122.9900	0.001	2	123.4733	0.360	4	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]P[5])	C[6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]P[5])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]P[5]){1|H<1>,1|O<2>,1|S<1>,6|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,1|P<4>,5|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]P[5]){1|O<2>,1|P<4>,1|S<1>,6|C<3>}	123.9565	0.381	2	123.9565	0.145	2	123.4733	0.360	4	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5a,6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])	C[6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a]){2|H<1>,6|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	123.1170	0.000	1	123.1170	0.000	1	123.1170	0.000	1	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5a,6a,6a]-3:C[5,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a]C[5,6a]C[5])	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5]){4|H<1>,5|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5,6a,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a]C[5,6a]C[5]){1|C<4>,2|H<1>,6|C<3>}	123.2400	0.000	1	123.2400	0.000	1	123.2077	0.016	3	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5a,6a,6a]-3:C[5,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a]C[6,6a]C[5])	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5]){4|H<1>,5|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5,6a,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a]C[6,6a]C[5]){1|C<4>,2|H<1>,6|C<3>}	123.0680	0.000	1	123.0680	0.000	1	123.2077	0.016	3	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5a,6a,6a]-3:C[5,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a]C[6a]C[5])	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5]){4|H<1>,5|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5,6a,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a]C[6a]C[5]){1|C<4>,2|H<1>,6|C<3>}	123.3150	0.000	1	123.3150	0.000	1	123.2077	0.016	3	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5,6a,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5]){4|H<1>,5|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5,6a,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5]){4|H<1>,5|C<3>}	123.1673	0.049	6	123.2387	0.020	8	123.0541	0.816	14	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5,6a,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5]){4|H<1>,5|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	C[5,6a,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5]){4|H<1>,5|C<3>}	123.4530	0.047	2	123.2387	0.020	8	123.0541	0.816	14	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])	C[6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])	C[5,6a,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5]){1|H<1>,6|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	C[5,6a,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5]){1|H<1>,6|C<3>}	123.6885	0.218	4	123.6885	0.047	4	123.0541	0.816	14	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]Si[5])	C[6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]Si[5])	C[5,6a,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]Si[5]){2|C<4>,2|H<1>,5|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|Si<4>,2|H<1>,5|C<3>}	C[5,6a,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]Si[5]){2|C<4>,2|H<1>,5|C<3>}	121.0465	0.626	2	121.0465	0.392	2	123.0541	0.816	14	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:N[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:N[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]N[5,6a,6a]C[6a,6a])(N[5,6a,6a]C[5,6a,6a]B[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[5,6a,6a]C[5,6a,6a]N[5,6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a,6a]N[5,6a,6a]C[6a,6a])(N[5,6a,6a]C[5,6a,6a]B[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[5,6a,6a](C[5,6a,6a]N[5,6a,6a]C[6a,6a])(N[5,6a,6a]C[5,6a,6a]B[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|B<3>,1|H<1>,6|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]N[5,6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|B<3>,1|N<3>,2|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a,6a]N[5,6a,6a]C[6a,6a])(N[5,6a,6a]C[5,6a,6a]B[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|B<3>,1|H<1>,6|C<3>}	124.8675	0.193	2	124.8675	0.037	2	124.8675	0.037	2	122.9984	2.420	396	122.9984	2.420	396	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:2:3:	3:3:3:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a,6a]-3:N[6a]-2:C[6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[5,6a]C[6a]N[5])	C[6a,6a](C[5,6a,6a]C[5,6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]C)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]N[5]O)	C[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[5,6a]C[6a]N[5]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]C){1|C<4>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]N[5]O){1|H<1>,1|N<2>,5|C<3>}	123.7720	0.000	1	123.7720	0.000	1	123.9147	0.012	4	124.0143	0.162	8	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:2:3:	3:3:3:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a,6a]-3:N[6a]-2:C[6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[5,6a]C[6a]N[5])	C[6a,6a](C[5,6a,6a]C[5,6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]N[5]O)	C[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[5,6a]C[6a]N[5]){1|O<1>,2|H<1>,4|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]N[5]O){1|H<1>,1|N<2>,5|C<3>}	123.9623	0.064	3	123.9623	0.004	3	123.9147	0.012	4	124.0143	0.162	8	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:2:3:	3:3:3:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a,6a]-3:N[6a]-2:C[6a]-3:	C[5,6a,6a]-3:N[5]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[5,6a]C[6a]N[5])	C[6a,6a](C[5,6a,6a]C[5,6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]C)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[5,6a]C[6a]N[5]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]C){1|C<4>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,4|C<3>}	123.2650	0.000	1	123.2650	0.000	1	124.1137	0.339	4	124.0143	0.162	8	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:2:3:	3:3:3:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a,6a]-3:N[6a]-2:C[6a]-3:	C[5,6a,6a]-3:N[5]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[5,6a]C[6a]N[5])	C[6a,6a](C[5,6a,6a]C[5,6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[5,6a]C[6a]N[5]){1|O<1>,2|H<1>,4|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	124.3967	0.167	3	124.3967	0.028	3	124.1137	0.339	4	124.0143	0.162	8	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:O[6a]-2:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]O[6a])	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]F)(O[6a]C[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]O[6a]){1|F<1>,2|H<1>,4|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]F)(O[6a]C[6a]){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	122.8720	0.000	1	123.7540	1.556	2	123.7540	1.556	2	123.9444	2.164	7	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:O[6a]-2:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]O[6a])	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]F)(O[6a]C[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]O[6a]){1|F<1>,2|H<1>,4|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]F)(O[6a]C[6a]){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	124.6360	0.000	1	123.7540	1.556	2	123.7540	1.556	2	123.9444	2.164	7	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a,6a]-3:C[6a]-3:N[6a]-2:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a,6a](C[6a,6a]C[6a]N[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a,6a](C[6a,6a]C[6a]N[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|N<2>,3|C<3>}	123.2940	0.000	1	123.2940	0.000	1	123.0590	0.110	2	123.9444	2.164	7	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a,6a]-3:C[6a]-3:N[6a]-2:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a,6a](C[6a,6a]C[6a]N[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a,6a](C[6a,6a]C[6a]N[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5]){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|Cl<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|N<2>,3|C<3>}	122.8240	0.000	1	122.8240	0.000	1	123.0590	0.110	2	123.9444	2.164	7	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a,6a]-3:C[6a]-3:N[6a]-2:	C[5,6a,6a]-3:C[6a]-3:N[5]-3:	C[5,6a,6a](C[6a,6a]C[6a]N[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a,6a](C[6a,6a]C[6a]N[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	124.8100	0.000	1	124.8100	0.000	1	125.7050	1.602	2	123.9444	2.164	7	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a,6a]-3:C[6a]-3:N[6a]-2:	C[5,6a,6a]-3:C[6a]-3:N[5]-3:	C[5,6a,6a](C[6a,6a]C[6a]N[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]N)(N[5]C[5]C)	C[5,6a,6a](C[6a,6a]C[6a]N[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5]){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|Cl<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]N)(N[5]C[5]C){1|Cl<1>,1|N<2>,1|O<1>,2|C<3>}	126.6000	0.000	1	126.6000	0.000	1	125.7050	1.602	2	123.9444	2.164	7	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a,6a]-3:C[6a]-3:O[6a]-2:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a,6a](C[6a,6a]C[6a]O[6a])(C[5,6a]C[6a]C[5])2	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]O)(O[6a]C[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a,6a](C[6a,6a]C[6a]O[6a])(C[5,6a]C[6a]C[5])2{1|C<4>,1|H<1>,1|O<1>,2|O<2>,3|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]O)(O[6a]C[6a]){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]O){3|C<3>,3|O<2>}	122.5750	0.000	1	122.5750	0.000	1	122.5750	0.000	1	123.9444	2.164	7	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a,6a]-3:C[6a]-3:O[6a]-2:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[6a,6a]C[6a]O[6a])(C[5,6a]C[6a]C[5])2	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]O)(O[6a]C[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]C)(C[5]C[5]CO)	C[5,6a,6a](C[6a,6a]C[6a]O[6a])(C[5,6a]C[6a]C[5])2{1|C<4>,1|H<1>,1|O<1>,2|O<2>,3|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]O)(O[6a]C[6a]){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]C)(C[5]C[5]CO){1|O<2>,2|C<3>,2|O<1>}	122.1800	0.000	1	122.1800	0.000	1	122.1800	0.000	1	122.1800	0.000	1	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:N[5]-2:	C[5,6a,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])	C[6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[6a]C[6a,6a]C[5a])(N[5]C[5,6a])	C[5,6a,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5]){1|H<1>,6|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[6a]C[6a,6a]C[5a])(N[5]C[5,6a]){1|N<3>,6|C<3>}	129.4390	0.328	4	129.4390	0.108	4	129.4390	0.108	4	122.8615	12.672	26	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(N[6a]C[6a])	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[6a,6a]C[6a]2){1|H<1>,2|O<2>,4|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(N[6a]C[6a]){2|H<1>,5|C<3>}	122.0210	0.000	1	122.0210	0.000	1	122.0210	0.000	1	122.8615	12.672	26	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:O[5]-2:	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]O[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]O[5])(C[6a,6a]C[6a]2){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,1|N<3>,4|C<3>}	123.2390	0.419	2	123.2390	0.175	2	123.7280	1.407	8	122.8615	12.672	26	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:O[5]-2:	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a,6a]C[6a]2){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	123.8665	0.009	2	123.8665	0.000	2	123.7280	1.407	8	122.8615	12.672	26	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:O[5]-2:	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(O[5]C[5])	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a,6a]C[6a]2){1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(O[5]C[5]){1|H<1>,1|O<1>,3|C<3>}	126.4630	0.000	1	126.4630	0.000	1	123.7280	1.407	8	122.8615	12.672	26	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:O[5]-2:	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a,6a]C[6a]2){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(O[5]C[5]){1|H<1>,1|O<1>,3|C<3>}	123.2900	0.000	1	123.0500	0.150	3	123.7280	1.407	8	122.8615	12.672	26	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:O[5]-2:	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a,6a]C[6a]2){3|C<3>,5|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(O[5]C[5]){2|H<1>,4|C<3>}	122.9300	0.462	2	123.0500	0.150	3	123.7280	1.407	8	122.8615	12.672	26	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:S[5]-2:	C[5,6a,6a](C[5,6a]C[6a]P[5])(C[5,6a]C[6a]S[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(S[5]P[5])	C[5,6a,6a](C[5,6a]C[6a]P[5])(C[5,6a]C[6a]S[5])(C[6a,6a]C[6a]2){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|P<4>,1|S<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(S[5]P[5]){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	119.7220	0.000	1	119.7220	0.000	1	119.7220	0.000	1	122.8615	12.672	26	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a,6a](C[5,6a]C[6a]Se[5])(C[5,6a]C[6a]N[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(Se[5]N[5])	C[5,6a,6a](C[5,6a]C[6a]Se[5])(C[5,6a]C[6a]N[5])(C[6a,6a]C[6a]2){1|C<4>,3|C<3>,3|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|Se<2>,1|N<3>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(Se[5]N[5]){1|C<4>,1|H<1>,3|C<3>}	121.5830	0.000	1	121.5830	0.000	1	119.4547	1.442	9	122.8615	12.672	26	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a,6a](C[5,6a]C[6a]Se[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]C)(Se[5]Se[5])	C[5,6a,6a](C[5,6a]C[6a]Se[5])2(C[6a,6a]C[6a]2){1|C<4>,2|C<3>,3|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|Se<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]C)(Se[5]Se[5]){1|H<1>,3|C<3>}	119.9500	1.526	2	119.6060	1.519	3	119.4547	1.442	9	122.8615	12.672	26	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a,6a](C[5,6a]C[6a]Se[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]C)(Se[5]Se[5])	C[5,6a,6a](C[5,6a]C[6a]Se[5])2(C[6a,6a]C[6a]2){3|C<3>,3|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|Se<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]C)(Se[5]Se[5]){1|H<1>,3|C<3>}	118.9180	0.000	1	119.6060	1.519	3	119.4547	1.442	9	122.8615	12.672	26	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a,6a](C[5,6a]C[6a]Se[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(Se[5]Se[5])	C[5,6a,6a](C[5,6a]C[6a]Se[5])2(C[6a,6a]C[6a]2){1|C<4>,2|C<3>,3|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|Se<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(Se[5]Se[5]){1|H<1>,3|C<3>}	118.3885	0.660	2	118.4053	0.218	3	119.4547	1.442	9	122.8615	12.672	26	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a,6a](C[5,6a]C[6a]Se[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(Se[5]Se[5])	C[5,6a,6a](C[5,6a]C[6a]Se[5])2(C[6a,6a]C[6a]2){3|C<3>,3|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|Se<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(Se[5]Se[5]){1|H<1>,3|C<3>}	118.4390	0.000	1	118.4053	0.218	3	119.4547	1.442	9	122.8615	12.672	26	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a,6a](C[5,6a]C[6a]Se[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(Se[5]Se[5])	C[5,6a,6a](C[5,6a]C[6a]Se[5])2(C[6a,6a]C[6a]2){2|C<3>,2|H<1>,2|O<2>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|Se<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(Se[5]Se[5]){1|H<1>,3|C<3>}	119.7375	0.012	2	119.7375	0.000	2	119.4547	1.442	9	122.8615	12.672	26	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5]-3:N[6a]-2:	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]N[6a]C[5])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5])(N[6a]C[6a,6a])	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]N[6a]C[5]){1|S<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5])(N[6a]C[6a,6a]){1|S<4>,6|C<3>}	122.8560	0.000	1	122.8560	0.000	1	122.8560	0.000	1	122.8615	12.672	26	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:N[5,6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:N[5]-2:	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(N[5,6a]B[6a]S[5])	C[6a,6a](C[5,6a,6a]C[5,6a]N[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)(N[5]S[5])	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(N[5,6a]B[6a]S[5]){2|H<1>,5|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]N[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|B<4>,1|N<2>,1|S<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)(N[5]S[5]){1|B<4>,1|H<1>,2|C<3>}	123.5640	0.124	2	123.5640	0.015	2	123.5640	0.015	2	122.8615	12.672	26	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6,6a]C[5,6a])(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(C[5,6a]C[5,6,6a]C[6a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6a,6a]C[6a]2){1|B<4>,3|H<1>,4|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6,6a]C[5,6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(C[5,6a]C[5,6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	126.2230	0.279	2	126.2230	0.078	2	126.2230	0.078	2	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	126.8670	0.000	1	126.8670	0.000	1	126.8670	0.000	1	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[5,6a,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[5a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])	C[6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(C[5]C[5,6a]C[6a])	C[5,6a,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[5a,6a]C[6a])(C[5,6a]C[6a,6a]C[5]){1|H<1>,7|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H){8|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(C[5]C[5,6a]C[6a]){1|H<1>,8|C<3>}	131.2990	0.000	1	131.2990	0.000	1	131.2990	0.000	1	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])	C[6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a]){2|H<1>,6|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	123.4000	0.000	1	123.4000	0.000	1	123.4000	0.000	1	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:B[5]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[6a,6a]B[5])(C[5,6a]C[6a]B[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[5]C[6a]B[5])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[6a,6a]B[5])(C[5,6a]C[6a]B[5])(C[6a,6a]C[6a]2){2|P<4>,3|H<1>,4|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|B<3>,1|B<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[5]C[6a]B[5])(C[6a]C[6a]H){1|H<1>,2|P<4>,5|C<3>}	120.4510	0.000	1	120.4510	0.000	1	121.2593	1.244	3	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:B[5]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[5]C[6]P[5])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2){2|C<3>,3|C<4>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|B<3>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[5]C[6]P[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,4|C<4>}	122.5320	0.000	1	122.5320	0.000	1	121.2593	1.244	3	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:B[5]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[5]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2){2|C<4>,3|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|B<3>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[5]C[6a]P[5])(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	120.7950	0.000	1	120.7950	0.000	1	121.2593	1.244	3	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	122.7230	0.000	1	123.2400	0.309	7	123.6204	0.872	87	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]H){2|H<1>,6|C<3>}	124.3010	0.000	1	123.2400	0.309	7	123.6204	0.872	87	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2){1|C<4>,4|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	122.9780	0.355	2	123.2400	0.309	7	123.6204	0.872	87	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2){4|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	123.3325	0.373	2	123.2400	0.309	7	123.6204	0.872	87	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2){4|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|H<1>,6|C<3>}	123.0350	0.000	1	123.2400	0.309	7	123.6204	0.872	87	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|C<2>,1|H<1>,1|N<3>,4|C<3>}	123.6980	0.297	2	123.6590	0.921	79	123.6204	0.872	87	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|Ga<3>,1|H<1>,1|N<3>,4|C<3>}	124.1233	0.509	3	123.6590	0.921	79	123.6204	0.872	87	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|Ga<4>,1|H<1>,1|N<3>,4|C<3>}	124.2700	0.472	26	123.6590	0.921	79	123.6204	0.872	87	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|Ga<6>,1|H<1>,1|N<3>,4|C<3>}	123.0959	0.436	10	123.6590	0.921	79	123.6204	0.872	87	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|P<2>,4|C<3>}	123.3387	1.679	14	123.6590	0.921	79	123.6204	0.872	87	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|S<2>,4|C<3>}	122.7820	0.429	2	123.6590	0.921	79	123.6204	0.872	87	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	123.5752	0.660	16	123.6590	0.921	79	123.6204	0.872	87	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|In<6>,1|H<1>,1|N<3>,4|C<3>}	122.9672	0.466	6	123.6590	0.921	79	123.6204	0.872	87	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5a]C[5,5])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2){4|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5a]C[5,5])(C[6a]C[6a]H){1|H<1>,6|C<3>}	123.2340	0.000	1	123.2340	0.000	1	123.6204	0.872	87	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,5a]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,5a]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]H){1|As<2>,1|H<1>,1|N<3>,4|C<3>}	123.7092	0.710	8	123.8319	0.483	34	123.8429	0.470	36	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,5a]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,5a]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]H){1|B<3>,1|H<1>,1|N<3>,4|C<3>}	123.9580	0.643	24	123.8319	0.483	34	123.8429	0.470	36	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,5a]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,5a]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]H){1|B<4>,1|H<1>,1|N<3>,4|C<3>}	122.8085	0.523	2	123.8319	0.483	34	123.8429	0.470	36	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,5a]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]S[5a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,5a]C[6a])2(C[6a,6a]C[6a]2){1|S<2>,3|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]S[5a])(C[6a]C[6a]H){1|H<1>,5|C<3>}	123.5520	0.000	1	123.5520	0.000	1	123.8429	0.470	36	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,5a]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5a,5a]C[5,5a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,5a]C[6a])2(C[6a,6a]C[6a]2){1|S<2>,3|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5a,5a]C[5,5a])(C[6a]C[6a]H){1|H<1>,1|S<2>,5|C<3>}	124.5090	0.000	1	124.5090	0.000	1	123.8429	0.470	36	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6,6]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,6,6]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6,6]C[5,6,6]C[3x6])(C[6a]C[6a]C)	C[5,6a,6a](C[5,6a]C[5,6,6]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|H<1>,4|C<4>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6,6]C[5,6,6]C[3x6])(C[6a]C[6a]C){1|H<1>,3|C<3>,4|C<4>}	123.9190	1.126	2	123.9190	1.267	2	123.9190	1.267	2	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,5,6]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,5,6]C[6])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,5,6]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a,6a]C[6a]2){1|C<4>,4|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	123.6830	0.000	1	123.6830	0.000	1	124.1726	0.433	18	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,6]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,6]C[6a])2(C[6a,6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	124.6490	0.043	3	124.6490	0.002	3	124.1726	0.433	18	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,6]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,6]C[6a])2(C[6a,6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	124.7307	0.054	3	124.2144	0.918	5	124.1726	0.433	18	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,6]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,6]C[6a])2(C[6a,6a]C[6a]2){4|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|H<1>,1|N<2>,5|C<3>}	122.5270	0.000	1	124.2144	0.918	5	124.1726	0.433	18	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,6]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,6]C[6a])2(C[6a,6a]C[6a]2){4|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	124.3530	0.000	1	124.2144	0.918	5	124.1726	0.433	18	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,6]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]O[6])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,6]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|O<2>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]O[6])(C[6a]C[6a]H){1|Ga<4>,1|H<1>,1|O<2>,3|C<3>}	124.8720	0.000	1	124.8720	0.000	1	124.1726	0.433	18	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,6]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]S[6])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,6]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|S<2>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]S[6])(C[6a]C[6a]H){1|H<1>,1|S<2>,4|C<3>}	124.4005	0.535	2	124.4005	0.287	2	124.1726	0.433	18	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[5,6]C[6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[5,6]C[6a])(C[6a,6a]C[6a]2){2|C<4>,2|H<1>,5|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]2)(C[6a]C[6a]H){1|H<1>,3|C<4>,4|C<3>}	123.7885	0.445	6	123.7885	0.198	6	124.1726	0.433	18	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])	C[5,6a,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a,6a]C[6a]2){3|H<1>,5|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,8|C<3>}	124.4700	0.000	1	124.4700	0.000	1	124.4700	0.000	1	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]O)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[6a,6a]C[6a]2){1|H<1>,2|O<2>,4|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]O){1|N<2>,2|O<2>,4|C<3>}	126.4210	0.000	1	126.4210	0.000	1	123.8947	0.669	225	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2){3|H<1>,5|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	124.6300	0.316	4	124.6300	0.100	4	123.8947	0.669	225	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2){2|N<2>,3|C<3>,3|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>}	123.8005	0.547	4	123.8005	0.300	4	123.8947	0.669	225	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2){1|H<1>,3|C<4>,4|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,5|C<3>}	124.5900	0.000	1	123.8985	0.956	2	123.8947	0.669	225	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2){1|H<1>,3|C<4>,4|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){2|C<4>,5|C<3>}	123.2070	0.000	1	123.8985	0.956	2	123.8947	0.669	225	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2){1|C<2>,1|N<3>,2|H<1>,4|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N){1|C<2>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<2>,1|H<1>,5|C<3>}	123.3110	0.000	1	124.5170	0.728	4	123.8947	0.669	225	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2){1|C<2>,1|N<3>,2|H<1>,4|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N){1|C<2>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	125.1160	0.000	1	124.5170	0.728	4	123.8947	0.669	225	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N){2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	124.8205	0.431	2	124.5170	0.728	4	123.8947	0.669	225	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]C)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2){4|C<3>,4|C<4>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]C)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,5|C<3>}	124.8817	0.288	4	124.8817	0.083	4	123.8947	0.669	225	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]C)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]C)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	122.4978	0.456	18	122.4978	0.208	18	123.8947	0.669	225	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Cl)(C[6a]C[6a]S)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]S)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2){1|Cl<1>,3|S<2>,4|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Cl)(C[6a]C[6a]S){2|Cl<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]S){2|Cl<1>,5|C<3>}	124.5715	0.074	2	124.5715	0.006	2	123.8947	0.669	225	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Cl)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]Cl)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2){3|Cl<1>,1|S<2>,4|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Cl)2{2|Cl<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]Cl){2|Cl<1>,5|C<3>}	123.8580	0.000	1	123.8580	0.000	1	123.8947	0.669	225	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Cl)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]S)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2){3|Cl<1>,1|S<2>,4|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Cl)2{2|Cl<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]S){2|Cl<1>,5|C<3>}	125.0960	0.000	1	125.0960	0.000	1	123.8947	0.669	225	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2){1|N<3>,3|H<1>,4|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	124.2202	3.543	4	124.2202	12.552	4	123.8947	0.669	225	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2){3|H<1>,5|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,7|C<3>}	124.3970	0.000	1	124.3970	0.000	1	123.8947	0.669	225	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,5|C<3>}	123.8487	0.537	19	123.7461	0.252	27	123.8947	0.669	225	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	123.7085	0.230	2	123.7461	0.252	27	123.8947	0.669	225	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,5|C<3>}	123.5422	0.208	5	123.7461	0.252	27	123.8947	0.669	225	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){2|H<1>,5|C<3>}	122.8910	0.000	1	123.7461	0.252	27	123.8947	0.669	225	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	122.9420	0.000	1	124.0120	0.227	120	123.8947	0.669	225	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2){1|N<2>,3|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,5|C<3>}	124.0030	0.000	1	124.0120	0.227	120	123.8947	0.669	225	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2){3|H<1>,5|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	124.2640	0.000	1	124.0120	0.227	120	123.8947	0.669	225	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2){4|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	123.3920	0.453	2	124.0120	0.227	120	123.8947	0.669	225	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2){4|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|C<4>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,5|C<3>}	123.5250	0.117	8	124.0120	0.227	120	123.8947	0.669	225	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2){4|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	124.1150	0.202	4	124.0120	0.227	120	123.8947	0.669	225	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2){4|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	123.7410	0.716	2	124.0120	0.227	120	123.8947	0.669	225	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2){4|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	123.8640	0.000	1	124.0120	0.227	120	123.8947	0.669	225	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2){4|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,5|C<3>}	123.9621	0.468	17	124.0120	0.227	120	123.8947	0.669	225	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2){4|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	123.9490	0.230	41	124.0120	0.227	120	123.8947	0.669	225	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2){4|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	124.2424	0.582	42	124.0120	0.227	120	123.8947	0.669	225	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]O)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2){1|O<2>,3|H<1>,4|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]O){2|H<1>,5|C<3>}	124.0457	0.538	3	124.0457	0.290	3	123.8947	0.669	225	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]C)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]C){1|H<1>,5|C<3>}	124.5560	0.000	1	124.5560	0.000	1	123.8947	0.669	225	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2){1|N<2>,3|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>}	123.5540	0.000	1	123.6799	0.231	18	123.8947	0.669	225	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|N<2>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>}	123.7078	0.512	14	123.6799	0.231	18	123.8947	0.669	225	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|N<2>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H){1|H<1>,2|N<2>,3|C<3>}	123.5920	0.487	3	123.6799	0.231	18	123.8947	0.669	225	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2){1|O<2>,3|H<1>,4|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	124.5483	0.412	3	124.7507	0.155	6	123.8947	0.669	225	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2){4|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	125.1275	0.091	2	124.7507	0.155	6	123.8947	0.669	225	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2){4|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	124.6040	0.000	1	124.7507	0.155	6	123.8947	0.669	225	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a,6a]C[6a]2){3|H<1>,5|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|H<1>,6|C<3>}	123.7940	0.000	1	123.7940	0.000	1	123.8947	0.669	225	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a,6a]C[6a]2){3|H<1>,5|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	122.4855	1.008	2	122.4855	1.015	2	123.8947	0.669	225	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5a,6a]C[5,6a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a,6a]C[6a]2){3|H<1>,5|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	123.6480	0.000	1	123.6480	0.000	1	123.8947	0.669	225	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[3,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[3,5]O)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[3,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[3,5]O)(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	123.0555	0.665	2	123.0555	0.443	2	123.1137	0.642	90	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]C)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|N<3>,4|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	123.7650	0.041	2	123.7650	0.002	2	123.1137	0.642	90	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]N)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|N<2>,1|N<3>,3|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]N)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	122.9710	0.390	2	122.9710	0.152	2	123.1137	0.642	90	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	122.8408	0.494	63	122.8496	0.240	65	123.1137	0.642	90	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	123.1290	0.272	2	122.8496	0.240	65	123.1137	0.642	90	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	123.1290	0.217	4	123.0194	0.047	7	123.1137	0.642	90	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	123.0030	0.000	1	123.0194	0.047	7	123.1137	0.642	90	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	122.8560	0.000	1	123.0194	0.047	7	123.1137	0.642	90	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|O<1>,4|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|H<1>,5|C<3>}	122.7610	0.000	1	123.0194	0.047	7	123.1137	0.642	90	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){4|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	124.1470	0.000	1	124.1470	0.000	1	123.1137	0.642	90	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5]C[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	125.0570	0.000	1	124.5060	2.689	5	123.1137	0.642	90	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){4|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5]C[6])(C[6a]C[6a]H){1|H<1>,6|C<3>}	124.3683	1.860	4	124.5060	2.689	5	123.1137	0.642	90	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5a]C[5])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|O<1>,3|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,1|S<2>,4|C<3>}	124.0260	0.000	1	124.0260	0.000	1	123.1137	0.642	90	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	124.3450	0.000	1	124.7162	0.054	5	123.1137	0.642	90	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){4|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,6|C<3>}	124.8090	0.122	4	124.7162	0.054	5	123.1137	0.642	90	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[5,6a,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a,6a]C[6a]2){3|H<1>,5|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|H<1>,8|C<3>}	124.6080	0.000	1	124.6080	0.000	1	124.5535	0.984	8	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])	C[5,6a,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a,6a]C[6a]2){3|H<1>,5|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a]){1|H<1>,8|C<3>}	125.6160	0.000	1	124.9880	0.789	2	124.5535	0.984	8	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])	C[5,6a,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a,6a]C[6a]2){3|H<1>,5|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a]){2|H<1>,7|C<3>}	124.3600	0.000	1	124.9880	0.789	2	124.5535	0.984	8	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a,6a](C[5,6a]C[6a,6a]C[5,6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a,6a]C)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])	C[5,6a,6a](C[5,6a]C[6a,6a]C[5,6a])2(C[6a,6a]C[6a]2){2|C<2>,6|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a,6a]C)2{6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a]){1|Cl<1>,1|H<1>,7|C<3>}	123.2280	0.696	2	124.2850	1.802	4	124.5535	0.984	8	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a,6a](C[5,6a]C[6a,6a]C[5,6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a,6a]C)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])	C[5,6a,6a](C[5,6a]C[6a,6a]C[5,6a])2(C[6a,6a]C[6a]2){2|C<2>,6|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a,6a]C)2{6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a]){1|H<1>,8|C<3>}	125.3420	0.673	2	124.2850	1.802	4	124.5535	0.984	8	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a,6a](C[5,6a]C[6a,6a]C[5,6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a,6a]C[6a])2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])	C[5,6a,6a](C[5,6a]C[6a,6a]C[5,6a])2(C[6a,6a]C[6a]2){8|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a,6a]C[6a])2{10|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a]){2|H<1>,7|C<3>}	124.7040	0.000	1	124.7040	0.000	1	124.5535	0.984	8	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[5,6a]C[5,5]C[6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]O)	C[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[5,6a]C[5,5]C[6a])(C[6a,6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]O){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	123.9140	0.000	1	123.9140	0.000	1	124.5365	1.217	6	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]H)	C[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|Br<1>,3|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]H){1|Br<1>,1|H<1>,5|C<3>}	126.0970	0.000	1	125.0832	0.684	4	124.5365	1.217	6	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]H)	C[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){4|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]H){1|H<1>,6|C<3>}	124.7453	0.584	3	125.0832	0.684	4	124.5365	1.217	6	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]O)	C[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|O<1>,4|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]O){2|H<1>,6|C<3>}	122.9720	0.000	1	122.9720	0.000	1	124.5365	1.217	6	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:B[5]-3:	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(B[5]P[5]N)	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|B<3>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(B[5]P[5]N){1|H<1>,2|C<4>,3|C<3>}	121.9730	0.000	1	121.6665	0.188	2	121.6665	0.188	2	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:B[5]-3:	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(B[5]P[5]N)	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2){1|N<3>,4|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|B<3>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(B[5]P[5]N){1|H<1>,5|C<3>}	121.3600	0.000	1	121.6665	0.188	2	121.6665	0.188	2	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]2)	C[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){4|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]2){2|H<1>,5|C<3>}	124.9500	0.044	2	124.9500	0.002	2	123.1750	0.695	387	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]Br)	C[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|Br<1>,3|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]Br){2|H<1>,3|C<3>}	122.5180	0.000	1	122.5180	0.000	1	123.1750	0.695	387	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a,6a]C[6a]2){1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]O[5]O){1|O<2>,3|C<3>}	123.6320	0.000	1	123.6320	0.000	1	123.1750	0.695	387	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]C)(C[5]O[5]O)	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a,6a]C[6a]2){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]C)(C[5]O[5]O){1|H<1>,3|C<3>}	126.5220	0.000	1	126.5220	0.000	1	123.1750	0.695	387	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]B)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Br<1>,1|B<3>,2|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]B){2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]H){2|H<1>,3|C<3>}	125.5170	1.153	4	125.5170	1.328	4	123.1750	0.695	387	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]Br)(C[5]C[5]H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){2|Br<1>,2|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]Br)(C[5]C[5]H){2|H<1>,3|C<3>}	125.4545	0.630	2	125.4545	0.397	2	123.1750	0.695	387	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){4|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]C){1|H<1>,4|C<3>}	124.5125	0.127	2	124.5125	0.016	2	123.1750	0.695	387	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|N<3>,2|C<3>,5|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]H){1|H<1>,1|N<3>,3|C<3>}	124.8565	0.312	2	124.8565	0.097	2	123.1750	0.695	387	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|C<4>,1|N<2>,1|N<3>,2|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	123.1887	0.592	7	123.0909	0.502	352	123.1750	0.695	387	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	123.3090	0.000	1	123.0909	0.502	352	123.1750	0.695	387	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|N<2>,1|N<3>,2|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|N<2>,3|C<3>}	123.5345	0.297	4	123.0909	0.502	352	123.1750	0.695	387	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|N<2>,1|N<3>,2|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|N<3>,3|C<3>}	123.1827	0.316	4	123.0909	0.502	352	123.1750	0.695	387	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|N<2>,1|O<1>,2|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|O<1>,3|C<3>}	123.2783	0.655	9	123.0909	0.502	352	123.1750	0.695	387	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|N<2>,1|O<2>,3|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|O<2>,4|C<3>}	123.2450	0.000	1	123.0909	0.502	352	123.1750	0.695	387	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|N<3>,1|N<4>,2|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|N<3>,3|C<3>}	124.2995	0.247	2	123.0909	0.502	352	123.1750	0.695	387	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|N<3>,1|N<4>,2|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|N<4>,3|C<3>}	124.1335	0.129	2	123.0909	0.502	352	123.1750	0.695	387	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|N<3>,1|O<3>,3|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|O<3>,4|C<3>}	123.1775	0.066	2	123.0909	0.502	352	123.1750	0.695	387	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|N<3>,2|C<3>,5|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){2|H<1>,3|C<3>}	124.5710	0.615	2	123.0909	0.502	352	123.1750	0.695	387	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Ni<4>,1|N<2>,1|N<3>,2|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|Ni<4>,1|H<1>,1|N<3>,3|C<3>}	123.7170	0.000	1	123.0909	0.502	352	123.1750	0.695	387	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){2|C<3>,2|N<2>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|N<2>,3|C<3>}	123.3302	0.439	28	123.0909	0.502	352	123.1750	0.695	387	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|N<3>,3|C<3>}	123.0222	0.722	289	123.0909	0.502	352	123.1750	0.695	387	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|N<2>,1|O<1>,2|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]O){1|H<1>,1|N<2>,3|C<3>}	122.9998	0.347	9	123.1957	0.368	14	123.1750	0.695	387	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]O){1|H<1>,1|O<2>,4|C<3>}	123.1350	0.000	1	123.1957	0.368	14	123.1750	0.695	387	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|O<1>,3|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]O){1|H<1>,4|C<3>}	122.5980	0.000	1	123.1957	0.368	14	123.1750	0.695	387	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){2|C<3>,2|O<2>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]O){1|H<1>,1|O<2>,3|C<3>}	124.0030	0.763	3	123.1957	0.368	14	123.1750	0.695	387	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]N)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|N<3>,1|N<4>,2|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]N)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]H){2|H<1>,3|C<3>}	124.5290	0.779	2	124.8515	0.341	4	123.1750	0.695	387	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]N)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]N)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]H){2|H<1>,3|C<3>}	125.1740	0.006	2	124.8515	0.341	4	123.1750	0.695	387	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a,6a](C[5,6a]C[6a]Si[5])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]Si[5]C)	C[5,6a,6a](C[5,6a]C[6a]Si[5])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){2|C<4>,3|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|Si<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]Si[5]C){1|H<1>,2|C<4>,3|C<3>}	121.1485	0.303	2	121.1485	0.092	2	123.1750	0.695	387	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:N[5]-3:	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a,6a]C[6a]2){4|H<1>,5|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,5|C<3>}	124.2500	0.000	1	124.2500	0.000	1	123.7540	0.492	2	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:N[5]-3:	C[5,6a,6a](C[5,6a]C[6a]Se[5])(C[5,6a]C[6a]N[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]Se[5]C)	C[5,6a,6a](C[5,6a]C[6a]Se[5])(C[5,6a]C[6a]N[5])(C[6a,6a]C[6a]2){1|C<4>,3|C<3>,3|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|Se<2>,1|N<3>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]Se[5]C){1|H<1>,3|C<3>}	123.2580	0.000	1	123.2580	0.000	1	123.7540	0.492	2	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:P[5]-3:	C[5,6a,6a](C[5,6a]C[6a]P[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]2)	C[5,6a,6a](C[5,6a]C[6a]P[5])2(C[6a,6a]C[6a]2){1|N<3>,1|O<1>,1|P<3>,2|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|P<3>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]2){1|H<1>,1|N<3>,1|O<1>,1|P<4>,4|C<3>}	120.2520	0.000	1	119.9340	0.108	3	120.2106	0.284	5	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:P[5]-3:	C[5,6a,6a](C[5,6a]C[6a]P[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]2)	C[5,6a,6a](C[5,6a]C[6a]P[5])2(C[6a,6a]C[6a]2){1|P<3>,2|C<3>,2|N<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|P<3>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]2){1|H<1>,1|P<4>,2|N<3>,4|C<3>}	119.9540	0.000	1	119.9340	0.108	3	120.2106	0.284	5	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:P[5]-3:	C[5,6a,6a](C[5,6a]C[6a]P[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]2)	C[5,6a,6a](C[5,6a]C[6a]P[5])2(C[6a,6a]C[6a]2){1|Se<1>,1|O<2>,1|P<3>,2|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|P<3>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]2){1|Se<1>,1|H<1>,1|O<2>,1|P<4>,4|C<3>}	119.5960	0.000	1	119.9340	0.108	3	120.2106	0.284	5	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:P[5]-3:	C[5,6a,6a](C[5,6a]C[6a]P[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]I)	C[5,6a,6a](C[5,6a]C[6a]P[5])2(C[6a,6a]C[6a]2){1|I<1>,2|C<3>,2|N<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|P<3>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]I){1|H<1>,2|N<3>,3|C<3>}	121.0410	0.000	1	121.0410	0.000	1	120.2106	0.284	5	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:P[5]-3:	C[5,6a,6a](C[5,6a]C[6a]P[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]N)	C[5,6a,6a](C[5,6a]C[6a]P[5])2(C[6a,6a]C[6a]2){2|C<3>,3|N<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|P<3>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]N){1|H<1>,2|N<3>,3|C<3>}	120.2100	0.000	1	120.2100	0.000	1	120.2106	0.284	5	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:P[5]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(P[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2){3|C<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|C<4>,1|P<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(P[5]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	121.8765	0.518	4	121.8765	0.268	4	121.8765	0.268	4	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5a,6a]-3:C[5,6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a]){2|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H){1|H<1>,7|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	123.2130	0.000	1	123.2130	0.000	1	123.2130	0.000	1	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5a,6a]-3:C[5,6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5,6a])	C[5,6a,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a]){2|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H){1|H<1>,7|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5,6a]){1|H<1>,8|C<3>}	126.5200	0.000	1	126.5200	0.000	1	126.5200	0.000	1	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])2	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(C[5]C[5]H)	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])2{3|C<3>,5|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,7|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(C[5]C[5]H){1|H<1>,4|C<3>}	125.2070	0.000	1	125.2070	0.000	1	125.8620	0.858	2	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])2	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])2{3|C<3>,5|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,7|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]H){2|H<1>,3|C<3>}	126.5170	0.000	1	126.5170	0.000	1	125.8620	0.858	2	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])2{2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|H<1>,8|C<3>}	125.0163	0.233	3	125.0163	0.054	3	124.7702	0.129	6	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])2{2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	124.5240	0.293	3	124.5240	0.086	3	124.7702	0.129	6	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]C)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]C)(C[5]N[5]O)	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5]){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]C){1|N<3>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]C)(C[5]N[5]O){1|C<4>,4|C<3>}	126.2140	0.520	2	126.2140	0.271	2	125.7578	0.226	12	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]C)(C[5]N[5]O)	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5]){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]C)(C[5]N[5]O){1|C<4>,4|C<3>}	125.6160	0.000	1	125.5635	0.006	2	125.7578	0.226	12	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]C)(C[5]N[5]O)	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5]){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]C)(C[5]N[5]O){1|C<4>,4|C<3>}	125.5110	0.000	1	125.5635	0.006	2	125.7578	0.226	12	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(C[5]N[5]O)	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(C[5]N[5]O){1|C<4>,4|C<3>}	126.1910	0.000	1	125.7110	0.087	5	125.7578	0.226	12	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(C[5]N[5]O)	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(C[5]N[5]O){1|C<4>,4|C<3>}	125.5235	0.158	2	125.7110	0.087	5	125.7578	0.226	12	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(C[5]N[5]O)	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5]){1|O<1>,3|C<3>,4|H<1>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(C[5]N[5]O){1|H<1>,4|C<3>}	125.6585	0.129	2	125.7110	0.087	5	125.7578	0.226	12	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,3|C<3>}	125.5180	0.000	1	125.2215	0.176	2	125.7578	0.226	12	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5]){1|O<1>,3|C<3>,4|H<1>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]N[5]O){2|H<1>,3|C<3>}	124.9250	0.000	1	125.2215	0.176	2	125.7578	0.226	12	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]N[6a]C[5])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]S)	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]N[6a]C[5]){1|S<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]S){1|H<1>,1|N<2>,3|C<3>}	126.5410	0.000	1	126.5410	0.000	1	125.7578	0.226	12	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:N[5]-3:	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]C)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5]){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]C){1|N<3>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,1|O<1>,3|C<3>}	125.4100	0.966	2	125.4100	0.933	2	124.8549	0.409	11	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:N[5]-3:	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(N[5]C[5]C)	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(N[5]C[5]C){1|O<1>,4|C<3>}	125.1630	0.000	1	125.1630	0.000	1	124.8549	0.409	11	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:N[5]-3:	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(N[5]C[5]H)	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5]){1|O<1>,3|C<3>,4|H<1>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(N[5]C[5]H){1|O<1>,4|C<3>}	124.4620	0.000	1	124.4620	0.000	1	124.8549	0.409	11	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:N[5]-3:	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5]){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,1|O<1>,3|C<3>}	125.6110	0.000	1	124.9624	0.252	5	124.8549	0.409	11	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:N[5]-3:	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5]){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,1|O<1>,3|C<3>}	124.4300	0.000	1	124.9624	0.252	5	124.8549	0.409	11	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:N[5]-3:	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,1|O<1>,3|C<3>}	124.6840	0.000	1	124.9624	0.252	5	124.8549	0.409	11	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:N[5]-3:	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,1|O<1>,3|C<3>}	125.0435	0.463	2	124.9624	0.252	5	124.8549	0.409	11	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:N[5]-3:	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5]){1|O<1>,3|C<3>,4|H<1>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]H){1|H<1>,1|O<1>,3|C<3>}	124.0735	0.071	2	124.0735	0.005	2	124.8549	0.409	11	123.5223	1.101	914	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6]-4:	C[5,6a,6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[5,6]C[6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[5])(C[5,6]C[5,6]2C)	C[5,6a,6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[5,6]C[6a])(C[6a,6a]C[6a]2){2|C<4>,2|H<1>,5|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[5])(C[5,6]C[5,6]2C){1|H<1>,1|O<1>,2|C<4>,6|C<3>}	123.7820	0.000	1	123.7820	0.000	1	123.9160	0.224	6	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6]-4:	C[5,6a,6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[5,6]C[6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[5])(C[5,6]C[5,6]C[6]C)	C[5,6a,6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[5,6]C[6a])(C[6a,6a]C[6a]2){2|C<4>,2|H<1>,5|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[5])(C[5,6]C[5,6]C[6]C){1|H<1>,1|O<1>,2|C<4>,6|C<3>}	123.9428	0.524	5	123.9428	0.274	5	123.9160	0.224	6	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[5])(C[5]C[5]CC)	C[5,6a,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,4|H<1>,5|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[5])(C[5]C[5]CC){4|H<1>,5|C<3>}	123.8090	0.000	1	123.8090	0.000	1	123.8090	0.000	1	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:B[5]-4:	C[5,6a,6a](C[5,6a]C[6a,6a]B[5])(C[5,6a]C[6a]B[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(B[5]B[5]PP)	C[5,6a,6a](C[5,6a]C[6a,6a]B[5])(C[5,6a]C[6a]B[5])(C[6a,6a]C[6a]2){2|P<4>,3|H<1>,4|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|B<3>,1|B<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(B[5]B[5]PP){1|H<1>,6|C<3>}	122.8910	0.000	1	122.8910	0.000	1	122.8910	0.000	1	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:P[5]-4:	C[5,6a,6a](C[5,6a]C[6a,6a]P[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(P[5]P[5]OS)	C[5,6a,6a](C[5,6a]C[6a,6a]P[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2){1|O<1>,1|S<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,2|P<4>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(P[5]P[5]OS){1|P<4>,2|C<4>,5|C<3>}	121.5110	0.000	1	121.5110	0.000	1	121.3000	0.089	2	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:P[5]-4:	C[5,6a,6a](C[5,6a]C[6a,6a]P[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(P[5]P[5]SeO)	C[5,6a,6a](C[5,6a]C[6a,6a]P[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2){1|Se<1>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,2|P<4>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(P[5]P[5]SeO){1|P<4>,2|C<4>,5|C<3>}	121.0890	0.000	1	121.0890	0.000	1	121.3000	0.089	2	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:B[5]-4:	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]N[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(B[5]N[5]FF)	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]N[5])(C[6a,6a]C[6a]2){2|C<3>,2|C<4>,2|F<1>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|B<4>,1|N<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(B[5]N[5]FF){1|H<1>,2|C<4>,3|C<3>}	124.1340	0.000	1	124.1340	0.000	1	122.9510	2.799	2	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:B[5]-4:	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(B[5]P[5]HN)	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|B<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(B[5]P[5]HN){1|H<1>,2|C<4>,3|C<3>}	121.7680	0.000	1	121.7680	0.000	1	122.9510	2.799	2	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,4|H<1>,5|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,5|C<3>}	123.3840	0.000	1	123.3840	0.000	1	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]2)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]N[5]HO)	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a,6a]C[6a]2){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]2)2{1|C<4>,1|N<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]N[5]HO){1|H<1>,2|C<4>,3|C<3>}	124.8915	0.183	2	124.8915	0.034	2	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]N[5]CC)	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a,6a]C[6a]2){4|H<1>,5|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]N[5]CC){1|H<1>,4|C<3>}	122.8580	0.000	1	122.8580	0.000	1	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(C[5]O[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a,6a]C[6a]2){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(C[5]O[5]HH){1|O<2>,3|C<3>}	126.5150	0.229	2	126.5150	0.052	2	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]P[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2){1|B<4>,1|C<4>,2|C<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]P[5]HH){1|B<4>,1|C<4>,1|H<1>,3|C<3>}	121.8180	0.000	1	121.4711	0.174	7	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]P[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2){1|B<4>,3|C<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]P[5]HH){1|B<4>,1|H<1>,4|C<3>}	121.1190	0.738	2	121.4711	0.174	7	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]P[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2){3|C<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|C<4>,1|P<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]P[5]HH){1|H<1>,4|C<3>}	121.5605	0.184	4	121.4711	0.174	7	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|O<2>,3|C<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]O){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){2|H<1>,4|C<3>}	124.9840	0.072	4	124.4764	0.307	8	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|O<2>,3|C<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]O){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	123.9688	0.155	4	124.4764	0.307	8	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]2)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){4|C<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]2)2{2|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	124.4307	0.381	3	124.4307	0.145	3	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Al)(C[6a]C[6a]P)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Al<4>,1|P<4>,2|C<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Al)(C[6a]C[6a]P){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	123.6010	0.601	2	123.7535	0.206	6	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Al)(C[6a]C[6a]P)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Al<5>,1|P<4>,2|C<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Al)(C[6a]C[6a]P){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	123.8298	0.447	4	123.7535	0.206	6	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]As)(C[6a]C[6a]Br)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|As<3>,1|Br<1>,2|C<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]As)(C[6a]C[6a]Br){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	124.6205	0.691	4	124.6205	0.478	4	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]As)(C[6a]C[6a]P)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|As<1>,1|P<3>,2|C<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]As)(C[6a]C[6a]P){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	123.7270	0.541	4	124.4269	0.356	30	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]As)(C[6a]C[6a]P)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|As<1>,1|P<4>,2|C<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]As)(C[6a]C[6a]P){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	124.6017	0.702	4	124.4269	0.356	30	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]As)(C[6a]C[6a]P)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|As<2>,1|P<3>,2|C<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]As)(C[6a]C[6a]P){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	123.3675	0.310	2	124.4269	0.356	30	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]As)(C[6a]C[6a]P)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|As<2>,1|P<4>,2|C<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]As)(C[6a]C[6a]P){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	124.8689	0.369	8	124.4269	0.356	30	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]As)(C[6a]C[6a]P)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|As<3>,1|P<3>,2|C<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]As)(C[6a]C[6a]P){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	124.4838	0.301	12	124.4269	0.356	30	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]B)(C[6a]C[6a]N)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|B<3>,1|N<3>,2|C<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]B)(C[6a]C[6a]N){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	124.3605	0.489	6	124.3579	0.256	8	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]B)(C[6a]C[6a]N)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|B<4>,1|N<4>,2|C<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]B)(C[6a]C[6a]N){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	124.3500	0.772	2	124.3579	0.256	8	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]B[5])(C[6a]C[6a]N)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|B<3>,1|N<3>,2|C<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]B[5])(C[6a]C[6a]N){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	123.9465	0.655	2	123.9465	0.430	2	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Bi)(C[6a]C[6a]P)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Bi<5>,1|P<4>,2|C<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Bi)(C[6a]C[6a]P){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	123.9975	0.340	4	123.9975	0.116	4	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]C)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Br<1>,1|C<4>,2|C<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]C){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	124.6376	0.807	10	124.6376	0.651	10	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Br<1>,2|C<3>,7|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	124.0380	2.387	2	124.0380	5.699	2	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]I)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Br<1>,1|I<1>,2|C<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]I){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	124.9435	0.103	2	124.9435	0.011	2	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]P)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Br<1>,1|P<3>,2|C<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]P){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	124.5433	0.931	12	124.5433	0.866	12	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]S)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Br<1>,1|S<2>,2|C<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]S){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	124.3072	1.579	4	123.8299	1.482	8	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]S)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Br<1>,1|S<3>,2|C<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]S){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	123.3525	0.597	4	123.8299	1.482	8	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]Se)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Br<1>,1|Se<2>,2|C<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]Se){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	124.1535	0.926	4	124.3457	0.840	6	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]Se)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Br<1>,1|Se<3>,2|C<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]Se){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	124.7300	1.089	2	124.3457	0.840	6	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]Sn)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Br<2>,1|Sn<5>,2|C<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]Sn){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	124.3540	1.517	2	124.3540	2.303	2	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Br)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){2|Br<1>,2|C<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Br)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	124.2325	0.740	2	124.2325	0.548	2	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	124.1028	0.459	6	124.1943	0.115	14	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|N<3>,3|C<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	124.2629	0.225	8	124.1943	0.115	14	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|C<4>,2|C<3>,7|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	123.8140	1.742	2	123.8140	3.036	2	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]C[6])2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){4|C<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]C[6])2{2|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	121.9451	0.263	42	121.9451	0.069	42	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Cl)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){2|Cl<1>,2|C<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Cl)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	124.3450	0.822	2	124.3450	0.675	2	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|C<4>,2|C<3>,7|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,4|C<3>,4|H<1>}	123.7010	0.611	2	123.3290	0.482	8	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){2|C<3>,2|C<4>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]2H){2|C<4>,3|H<1>,4|C<3>}	123.2050	0.726	6	123.3290	0.482	8	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){2|C<3>,2|C<4>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,2|H<1>,3|C<3>}	124.1670	0.020	2	124.1670	0.000	2	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|C<4>,1|N<2>,1|N<3>,2|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]CN){1|H<1>,1|N<2>,3|C<3>}	123.5241	0.479	8	123.5232	0.201	9	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]CN){1|H<1>,1|N<3>,3|C<3>}	123.5160	0.000	1	123.5232	0.201	9	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|N<2>,1|O<2>,3|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]CO){1|H<1>,1|N<2>,3|C<3>}	123.1440	0.000	1	123.2463	0.005	4	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|N<3>,1|O<3>,3|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]CO){1|H<1>,1|N<3>,3|C<3>}	123.2795	0.023	2	123.2463	0.005	4	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]CO){1|H<1>,1|O<1>,3|C<3>}	123.2820	0.000	1	123.2463	0.005	4	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|C<4>,2|C<3>,7|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|H<1>,3|C<3>}	123.9625	0.923	2	123.5730	0.205	9	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|O<2>,2|C<3>,7|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<2>,2|H<1>,3|C<3>}	123.1290	0.000	1	123.5730	0.205	9	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){2|C<3>,8|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	123.5172	0.231	6	123.5730	0.205	9	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HN)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){2|C<3>,2|N<4>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HN){1|N<4>,2|H<1>,3|C<3>}	123.3150	0.174	5	123.3150	0.030	5	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|O<2>,2|C<3>,7|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HO){3|C<3>,3|H<1>}	124.5040	0.000	1	124.5040	0.000	1	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Hg)(C[6a]C[6a]P)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Hg<4>,1|P<4>,2|C<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Hg)(C[6a]C[6a]P){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	123.9100	0.513	2	123.9100	0.264	2	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]I)(C[6a]C[6a]S)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|I<1>,1|S<2>,2|C<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]I)(C[6a]C[6a]S){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	124.0395	0.520	2	124.0395	0.270	2	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]I)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){2|C<3>,2|I<1>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]I)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	124.8840	0.491	2	124.8840	0.241	2	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]N)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|N<3>,1|N<4>,2|C<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]N)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	123.7880	0.072	2	123.7880	0.005	2	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]O)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){2|C<3>,2|O<2>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]O)2{2|C<3>,4|C<4>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|H<1>,3|C<3>}	123.6238	0.450	4	123.6238	0.203	4	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]P)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|P<3>,1|P<4>,2|C<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]P)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	125.0385	0.542	8	124.6016	0.412	62	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]P)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){2|C<3>,2|P<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]P)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	124.4564	0.488	14	124.6016	0.412	62	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]P)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){2|C<3>,2|P<4>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]P)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	124.5650	0.682	40	124.6016	0.412	62	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Pt)(C[6a]C[6a]C)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Pt<4>,1|C<4>,2|C<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Pt)(C[6a]C[6a]C){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	123.8645	1.175	2	123.8645	1.379	2	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]S)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|S<2>,1|S<3>,2|C<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]S)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	124.5292	0.895	4	124.2611	0.444	8	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]S)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){2|C<3>,2|S<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]S)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	123.9930	0.210	4	124.2611	0.444	8	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Sb)(C[6a]C[6a]P)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Sb<3>,1|P<4>,2|C<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Sb)(C[6a]C[6a]P){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	124.5191	0.152	9	124.3695	0.121	25	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Sb)(C[6a]C[6a]P)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Sb<4>,1|P<3>,2|C<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Sb)(C[6a]C[6a]P){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	124.3465	0.046	2	124.3695	0.121	25	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Sb)(C[6a]C[6a]P)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Sb<4>,1|P<4>,2|C<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Sb)(C[6a]C[6a]P){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	124.2766	0.428	14	124.3695	0.121	25	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Sb)(C[6a]C[6a]Te)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Sb<4>,1|Te<3>,2|C<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Sb)(C[6a]C[6a]Te){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	124.2870	0.551	4	124.2870	0.303	4	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Se)(C[6a]C[6a]I)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Se<2>,1|I<1>,2|C<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Se)(C[6a]C[6a]I){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	124.4345	0.730	2	124.4345	0.534	2	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Se)(C[6a]C[6a]S)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Se<2>,1|S<2>,2|C<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Se)(C[6a]C[6a]S){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	123.9820	0.869	4	124.1782	1.056	8	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Se)(C[6a]C[6a]S)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Se<3>,1|S<2>,2|C<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Se)(C[6a]C[6a]S){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	124.3745	1.267	4	124.1782	1.056	8	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Se)(C[6a]C[6a]Sn)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Se<3>,1|Sn<5>,2|C<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Se)(C[6a]C[6a]Sn){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	123.4883	1.057	4	123.4883	1.118	4	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Se)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Se<2>,1|Se<3>,2|C<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Se)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	123.7930	2.155	4	124.2380	2.319	8	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Se)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){2|Se<2>,2|C<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Se)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	124.6830	0.488	4	124.2380	2.319	8	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Si)(C[6a]C[6a]P)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Si<4>,1|P<3>,2|C<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Si)(C[6a]C[6a]P){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	124.4880	0.313	6	124.6824	0.172	20	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Si)(C[6a]C[6a]P)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Si<4>,1|P<4>,2|C<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Si)(C[6a]C[6a]P){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	124.7658	0.435	14	124.6824	0.172	20	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Si[4])2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){2|Si<3>,2|C<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Si[4])2{2|C<3>,2|C<4>,2|H<1>,4|N<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	123.9460	0.000	1	123.9460	0.000	1	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Sn)(C[6a]C[6a]P)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Sn<4>,1|P<3>,2|C<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Sn)(C[6a]C[6a]P){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	124.3400	0.477	6	124.1726	0.328	24	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Sn)(C[6a]C[6a]P)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Sn<5>,1|P<4>,2|C<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Sn)(C[6a]C[6a]P){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	124.1146	0.672	14	124.1726	0.328	24	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Sn)(C[6a]C[6a]P)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Sn<6>,1|P<4>,2|C<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Sn)(C[6a]C[6a]P){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	124.1248	0.323	4	124.1726	0.328	24	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Sn)(C[6a]C[6a]S)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Sn<5>,1|S<3>,2|C<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Sn)(C[6a]C[6a]S){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	123.8957	0.655	6	123.8258	0.478	9	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Sn)(C[6a]C[6a]S)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Sn<6>,1|S<3>,2|C<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Sn)(C[6a]C[6a]S){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	123.6860	0.892	3	123.8258	0.478	9	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Sn)(C[6a]C[6a]Te)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Sn<5>,1|Te<3>,2|C<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Sn)(C[6a]C[6a]Te){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	123.8865	0.978	2	123.8865	0.956	2	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Sn)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){2|Sn<2>,2|C<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Sn)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	123.9545	0.114	2	124.1676	0.190	12	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Sn)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){2|Sn<3>,2|C<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Sn)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	123.9612	0.103	4	124.1676	0.190	12	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Sn)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){2|Sn<4>,2|C<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Sn)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	124.3762	0.552	6	124.1676	0.190	12	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Te)(C[6a]C[6a]P)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Te<2>,1|P<3>,2|C<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Te)(C[6a]C[6a]P){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	124.6970	0.501	2	124.5053	0.983	30	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Te)(C[6a]C[6a]P)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Te<3>,1|P<4>,2|C<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Te)(C[6a]C[6a]P){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	124.5150	1.207	20	124.5053	0.983	30	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Te)(C[6a]C[6a]P)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Te<5>,1|P<4>,2|C<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Te)(C[6a]C[6a]P){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	124.4333	0.265	8	124.5053	0.983	30	124.0174	1.112	453	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:N[5]-4:	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]N[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]B[5]CC)	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]N[5])(C[6a,6a]C[6a]2){2|C<3>,2|C<4>,2|F<1>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|B<4>,1|N<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]B[5]CC){1|H<1>,2|F<1>,3|C<3>}	120.7170	0.000	1	120.7170	0.000	1	122.3547	0.631	7	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:N[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]2)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]CC)	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a,6a]C[6a]2){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]2)2{1|C<4>,1|N<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]CC){1|O<2>,2|H<1>,3|C<3>}	123.0325	0.245	2	123.0325	0.060	2	122.3547	0.631	7	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:N[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]CC)	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a,6a]C[6a]2){2|C<4>,3|C<3>,5|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|C<4>,1|N<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]CC){2|H<1>,4|C<3>}	122.4253	0.187	4	122.4253	0.035	4	122.3547	0.631	7	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:P[5]-4:	C[5,6a,6a](C[5,6a]C[6a,6a]P[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]CC)	C[5,6a,6a](C[5,6a]C[6a,6a]P[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2){1|O<1>,1|S<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,2|P<4>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]CC){1|H<1>,1|O<1>,1|S<1>,3|C<3>}	115.9310	0.000	1	116.3310	0.320	2	119.0892	2.371	13	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:P[5]-4:	C[5,6a,6a](C[5,6a]C[6a,6a]P[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]CC)	C[5,6a,6a](C[5,6a]C[6a,6a]P[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2){1|Se<1>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,2|P<4>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]CC){1|Se<1>,1|H<1>,1|O<1>,3|C<3>}	116.7310	0.000	1	116.3310	0.320	2	119.0892	2.371	13	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:P[5]-4:	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]B[5]CC)	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|B<3>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]B[5]CC){1|H<1>,1|N<3>,3|C<3>}	118.6490	0.000	1	119.3252	0.238	5	119.0892	2.371	13	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:P[5]-4:	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]B[5]CC)	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|B<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]B[5]CC){1|N<3>,2|H<1>,3|C<3>}	119.0330	0.000	1	119.3252	0.238	5	119.0892	2.371	13	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:P[5]-4:	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]B[5]CC)	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2){2|C<3>,3|C<4>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|B<3>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]B[5]CC){1|C<4>,1|H<1>,3|C<3>}	119.4040	0.000	1	119.3252	0.238	5	119.0892	2.371	13	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:P[5]-4:	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]B[5]CC)	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2){2|C<4>,3|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|B<3>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]B[5]CC){1|H<1>,4|C<3>}	119.8310	0.000	1	119.3252	0.238	5	119.0892	2.371	13	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:P[5]-4:	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]B[5]CC)	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|B<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]B[5]CC){1|H<1>,5|C<3>}	119.7090	0.000	1	119.3252	0.238	5	119.0892	2.371	13	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:P[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]C[5]BC)	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2){1|B<4>,1|C<4>,2|C<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]C[5]BC){3|C<3>,3|H<1>}	121.4680	0.000	1	121.4680	0.000	1	119.0892	2.371	13	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:P[5]-4:	C[5,6a,6a](C[5,6a]C[6a]P[5])(C[5,6a]C[6a]S[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]S[5]NO)	C[5,6a,6a](C[5,6a]C[6a]P[5])(C[5,6a]C[6a]S[5])(C[6a,6a]C[6a]2){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|P<4>,1|S<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]S[5]NO){1|H<1>,3|C<3>}	121.0880	0.000	1	121.0880	0.000	1	119.0892	2.371	13	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:P[5]-4:	C[5,6a,6a](C[5,6a]C[6a]P[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]NN)	C[5,6a,6a](C[5,6a]C[6a]P[5])2(C[6a,6a]C[6a]2){1|I<1>,2|C<3>,2|N<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|P<3>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]NN){1|H<1>,1|I<1>,3|C<3>}	118.0900	0.000	1	118.8223	0.624	3	119.0892	2.371	13	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:P[5]-4:	C[5,6a,6a](C[5,6a]C[6a]P[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]NN)	C[5,6a,6a](C[5,6a]C[6a]P[5])2(C[6a,6a]C[6a]2){1|P<3>,2|C<3>,2|N<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|P<3>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]NN){1|H<1>,1|P<3>,3|C<3>}	119.6590	0.000	1	118.8223	0.624	3	119.0892	2.371	13	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:P[5]-4:	C[5,6a,6a](C[5,6a]C[6a]P[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]NN)	C[5,6a,6a](C[5,6a]C[6a]P[5])2(C[6a,6a]C[6a]2){2|C<3>,3|N<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|P<3>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]NN){1|H<1>,1|N<3>,3|C<3>}	118.7180	0.000	1	118.8223	0.624	3	119.0892	2.371	13	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:P[5]-4:	C[5,6a,6a](C[5,6a]C[6a]P[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]NO)	C[5,6a,6a](C[5,6a]C[6a]P[5])2(C[6a,6a]C[6a]2){1|N<3>,1|O<1>,1|P<3>,2|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|P<3>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]NO){1|H<1>,1|P<3>,3|C<3>}	119.8490	0.000	1	119.8490	0.000	1	119.0892	2.371	13	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:N[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])(N[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]N[5,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])(N[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|O<1>,3|C<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]N[5,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	125.4163	0.597	4	125.4163	0.356	4	125.0445	0.334	11	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:N[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])(N[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]N[5,6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])(N[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]N[5,6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	125.1730	0.072	2	125.1730	0.005	2	125.0445	0.334	11	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:N[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])(N[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])(N[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,2|C<4>,3|C<3>}	123.9010	0.000	1	124.6958	0.269	5	125.0445	0.334	11	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:N[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])(N[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])(N[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|O<1>,1|O<2>,2|C<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	124.9663	0.334	3	124.6958	0.269	5	125.0445	0.334	11	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:N[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])(N[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])(N[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|O<1>,1|O<2>,2|C<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	124.6790	0.000	1	124.6958	0.269	5	125.0445	0.334	11	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[6a,6a]C[6,6a]C[6a])(C[5,6a]C[6a]C[5])2	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6,6a]C[6,6a]B[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6,6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[6a,6a]C[6,6a]C[6a])(C[5,6a]C[6a]C[5])2{1|B<3>,2|C<3>,7|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6,6a]C[6,6a]B[6])(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6,6a]H)(C[5]C[5]HH){2|H<1>,4|C<3>}	123.2540	0.000	1	123.2540	0.000	1	124.5150	3.180	2	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[6a,6a]C[6,6a]C[6a])(C[5,6a]C[6a]C[5])2	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6,6a]C[6,6a]B[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[6a,6a]C[6,6a]C[6a])(C[5,6a]C[6a]C[5])2{1|B<3>,2|C<3>,7|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6,6a]C[6,6a]B[6])(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	125.7760	0.000	1	125.7760	0.000	1	124.5150	3.180	2	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])2	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])2{3|C<3>,7|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(C[5]C[5]HH){2|H<1>,4|C<3>}	124.1805	0.039	2	124.1805	0.002	2	124.2673	0.011	4	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])2	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])2{3|C<3>,7|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	124.3540	0.006	2	124.3540	0.000	2	124.2673	0.011	4	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a,6a]-3:C[6a]-3:N[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[6a,6a]C[6a]N[6a])(C[5,6a]C[6a]C[5])2	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]O)(N[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]C)(C[5]C[5]HH)	C[5,6a,6a](C[6a,6a]C[6a]N[6a])(C[5,6a]C[6a]C[5])2{1|O<2>,3|C<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]O)(N[6a]C[6a]H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]C)(C[5]C[5]HH){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	122.4640	0.000	1	122.4640	0.000	1	123.5465	2.344	2	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a,6a]-3:C[6a]-3:N[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[6a,6a]C[6a]N[6a])(C[5,6a]C[6a]C[5])2	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]O)(N[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[6a,6a]C[6a]N[6a])(C[5,6a]C[6a]C[5])2{1|O<2>,3|C<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]O)(N[6a]C[6a]H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<3>,2|C<3>,3|H<1>}	124.6290	0.000	1	124.6290	0.000	1	123.5465	2.344	2	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,6a,6a]-3:C[6,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6,6a])(C[5,6a]C[6a]C[5])2	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a,6a]C[5,6a]2)(C[6,6a]C[6,6a]N[6])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6,6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6,6a])(C[5,6a]C[6a]C[5])2{1|N<2>,1|N<3>,2|C<3>,6|H<1>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a,6a]C[5,6a]2)(C[6,6a]C[6,6a]N[6]){1|H<1>,2|C<4>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6,6a]H)(C[5]C[5]HH){2|H<1>,4|C<3>}	124.3390	0.000	1	124.3390	0.000	1	124.1185	0.097	2	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,6a,6a]-3:C[6,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6,6a])(C[5,6a]C[6a]C[5])2	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a,6a]C[5,6a]2)(C[6,6a]C[6,6a]N[6])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6,6a])(C[5,6a]C[6a]C[5])2{1|N<2>,1|N<3>,2|C<3>,6|H<1>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a,6a]C[5,6a]2)(C[6,6a]C[6,6a]N[6]){1|H<1>,2|C<4>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(C[5]C[5]HH){2|H<1>,4|C<3>}	123.8980	0.000	1	123.8980	0.000	1	124.1185	0.097	2	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])2	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]N)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])2{1|N<2>,1|N<3>,2|C<3>,6|H<1>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]N){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(C[5]C[5]HH){2|H<1>,4|C<3>}	124.3090	0.000	1	124.3090	0.000	1	124.3950	0.015	2	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])2	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]N)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])2{1|N<2>,1|N<3>,2|C<3>,6|H<1>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]N){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	124.4810	0.000	1	124.4810	0.000	1	124.3950	0.015	2	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5])2	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(C[5,6a,6a]C[5,6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(C[5]C[5]HH)	C[5,6a,6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5])2{2|C<3>,2|N<2>,6|H<1>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(C[5,6a,6a]C[5,6a]2){2|C<4>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(C[5]C[5]HH){2|H<1>,4|C<3>}	124.7303	0.474	9	124.7303	0.224	9	124.7303	0.224	9	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	N[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](N[5,6a]C[5a,6a]C[5])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]N[5,6a])(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a,6a](N[5,6a]C[5a,6a]C[5])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){4|C<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]N[5,6a])(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	124.9660	0.000	1	124.9660	0.000	1	124.9660	0.000	1	123.8928	1.767	518	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6,6a]C[5,6a])(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(C[5]C[5,6]MoH)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|Mo<10>,1|C<4>,3|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6,6a]C[5,6a])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(C[5]C[5,6]MoH)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	127.3480	0.000	1	127.3480	0.000	1	127.3480	0.000	1	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5]){4|H<1>,5|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,4|C<3>}	125.9390	0.006	2	125.9390	0.000	2	126.4093	0.284	13	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5]){4|H<1>,5|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,4|C<3>}	127.2127	0.421	3	127.2127	0.177	3	126.4093	0.284	13	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5]){4|H<1>,5|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,4|C<3>}	126.3468	0.105	6	126.2256	0.058	8	126.4093	0.284	13	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5]){4|H<1>,5|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|C<4>,4|C<3>}	125.8620	0.038	2	126.2256	0.058	8	126.4093	0.284	13	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:P[5]-4:C[6a]-3:	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]P[5])	C[6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(P[5]C[5,6a]C[6a]S)(C[6a]C[6a]O)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]P[5]){1|H<1>,1|O<2>,1|S<1>,6|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,1|P<4>,5|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(P[5]C[5,6a]C[6a]S)(C[6a]C[6a]O){1|O<2>,6|C<3>}	122.5510	0.247	2	122.5510	0.061	2	122.5510	0.061	2	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]Si[5])	C[6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]Si[5]){2|C<4>,2|H<1>,5|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|Si<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	122.9405	0.228	2	122.9405	0.052	2	122.9405	0.052	2	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:B[5,5]-4:C[6a]-3:	C[5,6a,6a](C[5,6a]B[5,5]C[6a])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[5,5]C[5,6a]2P[5])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]B[5,5]C[6a])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|B<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[5,5]C[5,6a]2P[5])(C[6a]C[6a]H){1|H<1>,2|C<4>,7|C<3>}	122.2680	0.000	1	122.2680	0.000	1	122.2680	0.000	1	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:B[5]-4:C[6a]-3:	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[5]C[6a]2P[5])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|B<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[5]C[6a]2P[5])(C[6a]C[6a]H){1|H<1>,2|C<4>,7|C<3>}	120.5220	0.000	1	121.5190	0.748	3	121.5675	0.508	4	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:B[5]-4:C[6a]-3:	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[5]C[6a]2P[5])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2){4|H<1>,6|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|B<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[5]C[6a]2P[5])(C[6a]C[6a]H){1|H<1>,9|C<3>}	122.0175	0.073	2	121.5190	0.748	3	121.5675	0.508	4	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:B[5]-4:C[6a]-3:	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[5]C[6a]P[5]N)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2){1|N<4>,4|H<1>,5|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|B<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[5]C[6a]P[5]N)(C[6a]C[6a]H){1|H<1>,7|C<3>}	121.7130	0.000	1	121.7130	0.000	1	121.5675	0.508	4	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a,6a](C[5,6a]C[3,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[3,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){2|Br<1>,1|O<1>,2|H<1>,4|C<3>}	123.4740	0.498	2	123.4740	0.248	2	123.4740	0.248	2	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[3x5]-4:C[6a]-3:	C[5,6a,6a](C[5,6a]C[3x5]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[3x5]C[5,5,6]C[5,5]N[5])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[3x5]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a,6a]C[6a]2){1|C<4>,1|O<2>,2|C<3>,2|N<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[3x5]C[5,5,6]C[5,5]N[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,4|C<3>,4|C<4>}	123.4860	0.223	2	123.3630	0.042	6	123.3533	0.036	7	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[3x5]-4:C[6a]-3:	C[5,6a,6a](C[5,6a]C[3x5]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[3x5]C[5,5,6]C[5,5]N[5])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[3x5]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a,6a]C[6a]2){1|C<4>,1|O<2>,2|C<3>,2|N<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[3x5]C[5,5,6]C[5,5]N[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<4>,4|C<3>}	123.2827	0.235	3	123.3630	0.042	6	123.3533	0.036	7	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[3x5]-4:C[6a]-3:	C[5,6a,6a](C[5,6a]C[3x5]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[3x5]C[5,5,6]C[5,5]N[5])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[3x5]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a,6a]C[6a]2){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[3x5]C[5,5,6]C[5,5]N[5])(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>,5|C<4>}	123.3580	0.000	1	123.3630	0.042	6	123.3533	0.036	7	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[3x5]-4:C[6a]-3:	C[5,6a,6a](C[5,6a]C[3x5]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[3x5]C[5,5]2N[5,5])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[3x5]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a,6a]C[6a]2){1|C<4>,1|N<3>,2|C<3>,2|O<2>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[3x5]C[5,5]2N[5,5])(C[6a]C[6a]H){1|H<1>,2|O<2>,4|C<3>,4|C<4>}	123.2950	0.000	1	123.2950	0.000	1	123.3533	0.036	7	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[4,5]-4:C[6a]-3:	C[5,6a,6a](C[5,6a]C[4,5]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[4,5]C[4,5]2H)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[4,5]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|C<4>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[4,5]C[4,5]2H)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	123.7985	0.347	2	123.7985	0.121	2	123.4772	0.185	4	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[4,5]-4:C[6a]-3:	C[5,6a,6a](C[5,6a]C[4,5]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[4,5]N[4,5a]C[4,5]H)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[4,5]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[4,5]N[4,5a]C[4,5]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	123.1560	0.151	2	123.1560	0.023	2	123.4772	0.185	4	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,5,6]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5,6]C[5,6]2C[5])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,5,6]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a,6a]C[6a]2){1|C<4>,4|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5,6]C[5,6]2C[5])(C[6a]C[6a]H){1|H<1>,9|C<3>}	123.3890	0.000	1	123.3890	0.000	1	123.3890	0.000	1	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a,6a](C[5,6a]C[3x5]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[3x5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[3x5]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a,6a]C[6a]2){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[3x5]C[5,6]O)(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	122.9330	0.000	1	122.9330	0.000	1	123.4909	0.425	115	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a,6a](C[5,6a]C[3x5]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[3x5]N[5,6]O)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[3x5]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a,6a]C[6a]2){1|C<4>,1|O<2>,2|C<3>,2|N<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[3x5]N[5,6]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	122.9619	0.353	9	122.9619	0.125	9	123.4909	0.425	115	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a,6a](C[5,6a]C[3x5]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[3x5]O[5]O)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[3x5]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a,6a]C[6a]2){1|C<4>,1|N<3>,2|C<3>,2|O<2>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[3x5]O[5]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	122.5630	0.000	1	122.5630	0.000	1	123.4909	0.425	115	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]2)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,6|C<3>}	123.4560	0.000	1	123.4560	0.000	1	123.4909	0.425	115	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<1>,3|C<4>,4|C<3>}	123.6220	0.010	2	123.5348	0.062	12	123.4909	0.425	115	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,3|C<4>,5|C<3>}	123.4543	0.178	6	123.5348	0.062	12	123.4909	0.425	115	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>,4|C<4>}	123.6120	0.383	4	123.5348	0.062	12	123.4909	0.425	115	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5,5]C[5])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5,5]C[5])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<1>,3|C<4>,4|C<3>}	122.8990	0.000	1	123.6648	0.325	5	123.4909	0.425	115	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5,5]C[5])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5,5]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,3|C<4>,5|C<3>}	123.7560	0.473	3	123.6648	0.325	5	123.4909	0.425	115	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5,5]C[5])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5,5]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>,4|C<4>}	124.1570	0.000	1	123.6648	0.325	5	123.4909	0.425	115	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]C[5]N[5])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]C[5]N[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,3|C<4>,5|C<3>}	123.2770	0.000	1	123.6466	0.087	13	123.4909	0.425	115	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]C[5]N[5])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]C[5]N[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>,4|C<4>}	123.7475	0.158	11	123.6466	0.087	13	123.4909	0.425	115	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]C[5]N[5])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]C[5]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	122.9060	0.000	1	123.6466	0.087	13	123.4909	0.425	115	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]N[5,5]C[5])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]N[5,5]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>,4|C<4>}	123.5691	0.392	10	123.5833	0.135	12	123.4909	0.425	115	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]N[5,5]C[5])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]N[5,5]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	123.6545	0.295	2	123.5833	0.135	12	123.4909	0.425	115	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]N[5,6]C[5])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]N[5,6]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>,4|C<4>}	123.5554	0.397	5	123.5308	0.130	6	123.4909	0.425	115	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]N[5,6]C[5])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]N[5,6]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	123.4080	0.000	1	123.5308	0.130	6	123.4909	0.425	115	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<2>,1|H<1>,1|O<1>,3|C<4>,4|C<3>}	124.1180	0.000	1	123.3739	0.248	11	123.4909	0.425	115	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	123.4672	0.450	6	123.3739	0.248	11	123.4909	0.425	115	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|N<2>,1|N<3>,3|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|Ga<3>,1|N<2>,2|H<1>,5|C<3>}	123.2720	0.485	2	123.3739	0.248	11	123.4909	0.425	115	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|N<3>,4|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,7|C<3>}	122.8240	0.011	2	123.3739	0.248	11	123.4909	0.425	115	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	123.3910	0.000	1	123.3910	0.000	1	123.4909	0.425	115	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]N[5,5]C[5]2)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]N[5,5]C[5]2)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|O<1>,3|C<4>,4|C<3>}	123.9060	0.000	1	123.9359	0.657	8	123.4909	0.425	115	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]N[5,5]C[5]2)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]N[5,5]C[5]2)(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<2>,3|C<3>,3|C<4>}	123.0940	0.000	1	123.9359	0.657	8	123.4909	0.425	115	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]N[5,5]C[5]2)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]N[5,5]C[5]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	124.0812	0.868	6	123.9359	0.657	8	123.4909	0.425	115	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]O[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6a]N[5]O[5])(C[6a]C[6a]O)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]O[5])(C[6a,6a]C[6a]2){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6a]N[5]O[5])(C[6a]C[6a]O){2|H<1>,6|C<3>}	126.5430	0.546	2	126.5430	0.298	2	123.4909	0.425	115	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]O)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2){1|C<4>,2|H<1>,3|O<2>,4|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]O){4|H<1>,5|C<3>}	124.3910	0.000	1	124.3910	0.000	1	123.4909	0.425	115	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]O)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2){1|C<4>,2|H<1>,3|O<2>,4|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	124.5340	0.000	1	124.5340	0.000	1	123.4909	0.425	115	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]2C[5])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,3|C<4>,5|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]2C[5])(C[6a]C[6a]H){3|C<4>,3|H<1>,6|C<3>}	123.4565	0.330	2	123.4565	0.109	2	123.4909	0.425	115	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]C)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2){1|C<4>,4|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]C)(C[6a]C[6a]H){1|H<1>,6|C<3>}	123.3255	0.134	2	123.3255	0.018	2	123.4909	0.425	115	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,3|C<4>,5|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	122.8965	0.359	2	122.8965	0.129	2	123.4909	0.425	115	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]O)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2){1|N<3>,2|O<2>,3|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,5|C<3>}	123.5050	0.000	1	123.2540	0.548	3	123.4909	0.425	115	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]O)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<2>,2|H<1>,4|C<3>}	123.1285	1.001	2	123.2540	0.548	3	123.4909	0.425	115	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5,6]O)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2){1|N<3>,2|O<2>,3|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5,6]O)(C[6a]C[6a]H){1|H<1>,1|O<2>,6|C<3>}	122.8150	0.000	1	122.8150	0.000	1	123.4909	0.425	115	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5]H)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5]H)(C[6a]C[6a]H){1|C<2>,1|N<3>,2|H<1>,4|C<3>}	123.5195	0.078	2	123.2436	0.226	16	123.4909	0.425	115	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5]H)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	123.2041	0.497	14	123.2436	0.226	16	123.4909	0.425	115	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]O[5]C)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]O[5]C)(C[6a]C[6a]H){1|B<3>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	123.3010	0.186	4	123.3010	0.035	4	123.4909	0.425	115	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[5,6a]C[5,5]C[6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]N[5,6]C[5]2)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[5,6a]C[5,5]C[6a])(C[6a,6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]N[5,6]C[5]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	122.4720	0.000	1	122.4720	0.000	1	123.4909	0.425	115	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]N[5,6]C[5])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]N[5,6]C[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,5|C<3>}	123.5390	0.179	4	123.5390	0.032	4	123.4949	0.211	11	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6]C[5]C[6])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|O<1>,4|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6]C[5]C[6])(C[6a]C[6a]H){1|C<2>,1|H<1>,1|O<1>,6|C<3>}	123.7880	0.000	1	123.7880	0.000	1	123.4949	0.211	11	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6a]C[5]C[6])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6a]C[5]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	122.3420	0.000	1	122.3420	0.000	1	123.4949	0.211	11	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]N[5a,6]C[6,6]C[5])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]N[5a,6]C[6,6]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,7|C<3>}	123.2610	0.000	1	123.2610	0.000	1	123.4949	0.211	11	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]O)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6a]C[5]C[6])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){2|O<2>,3|H<1>,5|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]O)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6a]C[5]C[6])(C[6a]C[6a]H){3|H<1>,7|C<3>}	123.5700	0.479	2	123.5700	0.230	2	123.4949	0.211	11	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,6]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,6]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,4|C<4>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	123.8785	0.057	2	123.8785	0.003	2	123.4949	0.211	11	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]O)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){2|O<2>,3|H<1>,5|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]O)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H){1|H<1>,7|C<3>}	124.4670	0.952	2	124.4670	0.906	2	124.1588	1.297	24	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5]C[6]H)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|O<1>,4|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5]C[6]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	123.5920	0.000	1	123.5920	0.000	1	124.1588	1.297	24	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a,6a]C[6a]2){2|C<4>,3|C<3>,5|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|C<4>,1|N<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	124.3095	0.006	2	124.3095	0.000	2	124.1588	1.297	24	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6]N[5]H)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a,6a]C[6a]2){2|C<4>,3|C<3>,5|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|C<4>,1|N<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6]N[5]H)(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	124.5250	0.122	2	124.5250	0.015	2	124.1588	1.297	24	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6]O[5]H)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a,6a]C[6a]2){3|C<3>,5|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6]O[5]H)(C[6a]C[6a]H){1|H<1>,5|C<3>}	127.3325	0.814	2	127.3325	0.662	2	124.1588	1.297	24	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5]EuN)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Eu<14>,2|C<3>,2|N<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5]EuN)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	123.5470	0.593	2	123.5470	0.351	2	124.1588	1.297	24	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5]NiN)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Ni<4>,1|N<2>,1|N<3>,2|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5]NiN)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	123.8770	0.000	1	123.8770	0.000	1	124.1588	1.297	24	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5]SmN)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Sm<14>,2|C<3>,2|N<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5]SmN)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	124.0635	1.063	2	124.0635	1.130	2	124.1588	1.297	24	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5]TaN)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Ta<8>,2|C<3>,2|N<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5]TaN)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	123.6590	0.571	4	123.6590	0.326	4	124.1588	1.297	24	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5]TiN)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Ti<12>,2|C<3>,2|N<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5]TiN)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	123.6745	0.063	2	123.6745	0.004	2	124.1588	1.297	24	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5]O)(C[6a]C[6a]O)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){2|H<1>,4|C<3>,4|O<2>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5]O)(C[6a]C[6a]O){1|H<1>,1|O<2>,6|C<3>}	123.4672	0.442	4	123.4672	0.195	4	124.1588	1.297	24	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:Ga[5]-4:C[6a]-3:	C[5,6a,6a](C[5,6a]C[6a]Ga[5])(C[5,6a]C[6a]N[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(Ga[5]N[5]Cl2)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[6a]Ga[5])(C[5,6a]C[6a]N[5])(C[6a,6a]C[6a]2){2|Cl<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|Ga<4>,1|N<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(Ga[5]N[5]Cl2)(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	120.7660	0.000	1	120.7660	0.000	1	120.7660	0.000	1	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:N[5]-4:C[6a]-3:	C[5,6a,6a](C[5,6a]C[6a]Ga[5])(C[5,6a]C[6a]N[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(N[5]Ga[5]CC)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[6a]Ga[5])(C[5,6a]C[6a]N[5])(C[6a,6a]C[6a]2){2|Cl<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|Ga<4>,1|N<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(N[5]Ga[5]CC)(C[6a]C[6a]H){2|Cl<1>,1|H<1>,3|C<3>}	117.2420	0.000	1	117.2420	0.000	1	117.2420	0.000	1	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:P[5]-4:C[6a]-3:	C[5,6a,6a](C[5,6a]B[5,5]C[6a])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(P[5]B[5,5]CC)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]B[5,5]C[6a])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|B<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(P[5]B[5,5]CC)(C[6a]C[6a]H){1|H<1>,5|C<3>}	119.3980	0.000	1	119.3980	0.000	1	119.8295	0.934	11	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:P[5]-4:C[6a]-3:	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(P[5]C[6a]2B[5])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2){1|N<3>,4|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|B<3>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(P[5]C[6a]2B[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,7|C<3>}	119.5220	0.000	1	119.3053	0.038	4	119.8295	0.934	11	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:P[5]-4:C[6a]-3:	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(P[5]C[6a]2B[5])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2){1|N<4>,4|H<1>,5|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|B<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(P[5]C[6a]2B[5])(C[6a]C[6a]H){1|H<1>,1|N<4>,8|C<3>}	119.1940	0.000	1	119.3053	0.038	4	119.8295	0.934	11	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:P[5]-4:C[6a]-3:	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(P[5]C[6a]2B[5])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2){4|H<1>,6|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|B<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(P[5]C[6a]2B[5])(C[6a]C[6a]H){1|H<1>,9|C<3>}	119.2525	0.224	2	119.3053	0.038	4	119.8295	0.934	11	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:P[5]-4:C[6a]-3:	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(P[5]C[6a]C[5]B)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2){1|B<4>,3|C<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(P[5]C[6a]C[5]B)(C[6a]C[6a]H){3|H<1>,5|C<3>}	121.5395	0.442	2	121.5395	0.195	2	119.8295	0.934	11	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:P[5]-4:C[6a]-3:	C[5,6a,6a](C[5,6a]C[6a]P[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(P[5]C[6a]P[5]Fe)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[6a]P[5])2(C[6a,6a]C[6a]2){1|Fe<5>,4|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|P<4>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(P[5]C[6a]P[5]Fe)(C[6a]C[6a]H){1|H<1>,6|C<3>}	119.3240	0.000	1	119.3240	0.000	1	119.8295	0.934	11	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:P[5]-4:C[6a]-3:	C[5,6a,6a](C[5,6a]C[6a]P[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(P[5]P[5]SeO)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[6a]P[5])2(C[6a,6a]C[6a]2){1|Se<1>,1|O<2>,1|P<3>,2|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|P<3>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(P[5]P[5]SeO)(C[6a]C[6a]H){1|H<1>,1|P<3>,3|C<3>}	120.4450	0.000	1	119.7010	0.793	3	119.8295	0.934	11	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:P[5]-4:C[6a]-3:	C[5,6a,6a](C[5,6a]C[6a]P[5])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(P[5]P[5]SeO)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[6a]P[5])2(C[6a,6a]C[6a]2){2|Se<1>,2|C<3>,2|O<2>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|P<4>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(P[5]P[5]SeO)(C[6a]C[6a]H){1|Se<1>,1|H<1>,1|O<2>,3|C<3>}	119.3290	0.870	2	119.7010	0.793	3	119.8295	0.934	11	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a,6a](C[5,6a]C[6a]Si[5])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(Si[5]C[5]CC)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[6a]Si[5])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){2|C<4>,3|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{1|Si<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(Si[5]C[5]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	120.9765	0.429	2	120.9765	0.184	2	120.9765	0.184	2	123.4441	2.275	202	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:5:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:B[3,3,5]-5:C[6a]-3:	C[5,6a,6a](C[5,6a]B[3,3,5]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[3,3,5]B[3,3,5]H[3]2H)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]B[3,3,5]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|H<2>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|B<5>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[3,3,5]B[3,3,5]H[3]2H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.3025	0.175	2	122.3025	0.031	2	122.3025	0.031	2	122.3025	0.031	2	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[3x5]-4:C[5,6a,6a]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[3x5]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[3x5]C[5,5,6]C[5,5]N[5,5])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[3x5]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a,6a]C[6a]2){1|C<4>,1|O<2>,2|C<3>,2|N<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[3x5]C[5,5,6]C[5,5]N[5,5])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,4|C<3>,4|C<4>}	123.3230	0.609	4	123.3230	0.370	4	123.3230	0.370	4	122.1506	4.443	14	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[4,5,6]-4:C[5,6a,6a]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[4,5,6]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[4,5,6]C[4,5,6]C[6,6a]C[4])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[4,5,6]C[6a])2(C[6a,6a]C[6a]2){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[4,5,6]C[4,5,6]C[6,6a]C[4])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,3|C<4>,6|C<3>}	123.3620	0.000	1	123.3620	0.000	1	123.6335	0.147	2	122.1506	4.443	14	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[4,5,6]-4:C[5,6a,6a]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[4,5,6]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[4,5,6]C[4,5,6]C[6,6a]C[4])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)	C[5,6a,6a](C[5,6a]C[4,5,6]C[6a])2(C[6a,6a]C[6a]2){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[4,5,6]C[4,5,6]C[6,6a]C[4])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O){1|C<4>,3|H<1>,6|C<3>}	123.9050	0.000	1	123.9050	0.000	1	123.6335	0.147	2	122.1506	4.443	14	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,5,6,6]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,5,6,6]C[6a])2(C[6a,6a]C[6a]2){4|H<1>,6|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,9|C<3>}	123.5460	0.000	1	123.5460	0.000	1	123.4600	0.015	2	122.1506	4.443	14	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,5,6,6]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,5,6,6]C[6a])2(C[6a,6a]C[6a]2){4|H<1>,6|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,8|C<3>}	123.3740	0.000	1	123.3740	0.000	1	123.4600	0.015	2	122.1506	4.443	14	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a,6a]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,5,6]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]O)2	C[5,6a](C[5,5,6]C[5,5,6]C[6,6a]C[5,6])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,5,6]C[6a])2(C[6a,6a]C[6a]2){1|C<4>,2|H<1>,2|O<2>,5|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]O)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]C[6,6a]C[5,6])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<4>,6|C<3>}	123.5720	0.000	1	123.2570	0.198	2	123.2570	0.198	2	122.1506	4.443	14	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a,6a]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[5,5,6]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]O)2	C[5,6a](C[5,5,6]C[5,5,6]C[6,6a]C[5,6])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,5,6]C[6a])2(C[6a,6a]C[6a]2){1|C<4>,2|H<1>,2|O<2>,5|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]O)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]C[6,6a]C[5,6])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,7|C<3>}	122.9420	0.000	1	123.2570	0.198	2	123.2570	0.198	2	122.1506	4.443	14	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	Si[5,5]-4:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a](C[5,6a]C[6a,6a]Si[5,5])(C[5,6a]Si[5,5]C[6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5,6a](Si[5,5]C[5,6a]Si[5,5]C[6a])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])	C[5,6a,6a](C[5,6a]C[6a,6a]Si[5,5])(C[5,6a]Si[5,5]C[6a])(C[6a,6a]C[6a]2){3|H<1>,7|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){2|Si<4>,1|H<1>,3|C<3>}	C[5,6a](Si[5,5]C[5,6a]Si[5,5]C[6a])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a]){11|C<3>,1|H<1>}	119.6435	0.118	2	119.6435	0.014	2	119.6435	0.014	2	122.1506	4.443	14	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	Si[5,5]-4:C[5,6a,6a]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]C[6a,6a]Si[5,5])(C[5,6a]Si[5,5]C[6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5,6a](Si[5,5]C[5,6a]Si[5,5]C[6a])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[6a,6a]Si[5,5])(C[5,6a]Si[5,5]C[6a])(C[6a,6a]C[6a]2){3|H<1>,7|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){2|Si<4>,1|H<1>,3|C<3>}	C[5,6a](Si[5,5]C[5,6a]Si[5,5]C[6a])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,9|C<3>}	118.4140	0.061	2	118.4140	0.004	2	118.4140	0.004	2	122.1506	4.443	14	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	5:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	B[3,3,5]-5:C[5,6a,6a]-3:C[6a]-3:	C[5,6a,6a](C[5,6a]B[3,3,5]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](B[3,3,5]B[3,3,5]C[6a]H[3]2)(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]B[3,3,5]C[6a])2(C[6a,6a]C[6a]2){2|H<2>,4|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|B<5>,2|C<3>,2|H<1>}	C[5,6a](B[3,3,5]B[3,3,5]C[6a]H[3]2)(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	122.2300	0.105	2	122.2300	0.011	2	122.2300	0.011	2	122.2300	0.011	2	123.6051	1.698	1694	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6,6,6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[6,6,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[6,6,6a]-3:C[5,6a]-3:C[3x6]-4:	C[6,6,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5,6a]C[6,6,6a]C[5,6a])(C[5,6a]C[6,6,6a]C[5])	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5,6a]C[5,6a]2)(C[3x6]C[6,6]2H)	C[5,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5,6a]C[6,6,6a]C[5,6a])(C[5]C[5,6a]HH)	C[5,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5,6a]C[6,6,6a]C[5,6a])(C[5,6a]C[6,6,6a]C[5]){3|C<3>,3|H<1>,5|C<4>}	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5,6a]C[5,6a]2)(C[3x6]C[6,6]2H){3|C<3>,4|C<4>,5|H<1>}	C[5,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5,6a]C[6,6,6a]C[5,6a])(C[5]C[5,6a]HH){1|H<1>,3|C<3>,4|C<4>}	118.2323	0.472	6	118.2323	0.223	6	118.2323	0.223	6	118.2323	0.223	6	119.9716	3.488	12	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6,6,6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:3:	C[6,6,6a]-3:C[5,6a]-3:C[5]-4:	C[6,6,6a]-3:C[5,6a]-3:C[3x6]-4:	C[6,6,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5,6a]C[6,6,6a]C[5,6a])(C[5]C[5,6a]HH)	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5,6a]C[5,6a]C[5])(C[3x6]C[6,6]2H)	C[5,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5,6a]C[6,6,6a]C[5,6a])(C[5,6a]C[6,6,6a]C[5])	C[5,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5,6a]C[6,6,6a]C[5,6a])(C[5]C[5,6a]HH){1|H<1>,3|C<3>,4|C<4>}	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5,6a]C[5,6a]C[5])(C[3x6]C[6,6]2H){3|C<3>,3|C<4>,7|H<1>}	C[5,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5,6a]C[6,6,6a]C[5,6a])(C[5,6a]C[6,6,6a]C[5]){3|C<3>,3|H<1>,5|C<4>}	121.7108	0.436	6	121.7108	0.190	6	121.7108	0.190	6	121.7108	0.190	6	119.9716	3.488	12	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5,6,6a]	3:3:4:	3:3:4:	3:3:4:	C[5,6,6a]-3:C[6,6a]-3:C[5]-4:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6,6a]C[6,6a]C[6])(C[5]C[6a]C[5]H)	C[6,6a](C[5,6a]C[5,6,6a]C[5])(C[6,6a]C[6a]C[6])(C[6]C[6]CC)	C[5,6,6a](C[5,6a]C[6,6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]C)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6,6a]C[6,6a]C[6])(C[5]C[6a]C[5]H){2|H<1>,3|C<3>,7|C<4>}	C[6,6a](C[5,6a]C[5,6,6a]C[5])(C[6,6a]C[6a]C[6])(C[6]C[6]CC){2|C<3>,4|H<1>,5|C<4>}	C[5,6,6a](C[5,6a]C[6,6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]C){2|C<3>,4|C<4>,6|H<1>}	120.6570	0.000	1	120.6570	0.000	1	120.6570	0.000	1	120.6570	0.000	1	120.6570	0.000	1	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5,6a,6a]	3:3:4:	3:3:2:	3:3:3:	C[5,6a,6a]-3:C[6,6a]-3:C[5,6]-4:	C[6,6a,6a]-3:C[5,6a]-3:S[6]-2:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6,6a]C[6,6a,6a]S[6])(C[5,6]C[5,6,6a]O[6]H)	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a]C[5,6a,6a]C[5,6])(S[6]C[6,6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[6,6a]C[5,6])	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6,6a]C[6,6a,6a]S[6])(C[5,6]C[5,6,6a]O[6]H){1|C<4>,6|C<3>}	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a]C[5,6a,6a]C[5,6])(S[6]C[6,6a]){1|H<1>,1|O<2>,7|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[6,6a]C[5,6]){1|H<1>,1|O<2>,1|S<2>,6|C<3>}	119.0310	0.000	1	119.0310	0.000	1	119.0310	0.000	1	119.0310	0.000	1	118.2260	1.296	2	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5,6a,6a]	3:3:4:	3:3:4:	3:3:3:	C[5,6a,6a]-3:C[6,6a]-3:C[5]-4:	C[6,6a,6a]-3:C[5,6a]-3:C[6]-4:	C[5,6a,6a]-3:C[5a,6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[6,6a]C[6,6a,6a]C[6])(C[5]C[5,6a]HH)	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a])(C[5,6a]C[5,6a,6a]C[5])(C[6]C[6]CC)	C[5,6a,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a]C[6,6a]C[5])	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[6,6a]C[6,6a,6a]C[6])(C[5]C[5,6a]HH){3|C<4>,5|C<3>}	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a])(C[5,6a]C[5,6a,6a]C[5])(C[6]C[6]CC){1|C<4>,4|H<1>,5|C<3>}	C[5,6a,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a]C[6,6a]C[5]){1|C<4>,2|H<1>,6|C<3>}	117.4210	0.000	1	117.4210	0.000	1	117.4210	0.000	1	117.4210	0.000	1	118.2260	1.296	2	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5,6a]	3:3:2:	3:3:2:	3:3:2:	C[5,6a]-3:C[6,6a]-3:S[5]-2:	C[5,6a]-3:C[6,6a]-3:C[6]-2:	C[5,6a]-3:C[5,6a]-3:C[5]-2:	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(S[5]C[5])	C[6,6a](C[5,6a]C[5,6a]S[5])(C[6,6a]C[5,6a]C[6])(C[6]C[6])	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6,6a]S[5])(C[5]C[5])	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(S[5]C[5]){2|C<2>,3|C<3>}	C[6,6a](C[5,6a]C[5,6a]S[5])(C[6,6a]C[5,6a]C[6])(C[6]C[6]){1|C<2>,1|O<2>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6,6a]S[5])(C[5]C[5]){1|C<2>,1|S<2>,3|C<3>}	123.2010	0.048	2	123.2010	0.002	2	123.2010	0.002	2	123.2010	0.002	2	121.5849	2.654	127	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:2:	C[5,6a]-3:C[6,6a]-3:N[5]-2:	C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5])	C[6,6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5])	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5]){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6,6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ru<6>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5]){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	120.4000	0.000	1	121.9684	1.221	29	121.9684	1.221	29	122.0326	1.589	37	121.5849	2.654	127	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:2:	C[5,6a]-3:C[6,6a]-3:N[5]-2:	C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5])	C[6,6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5])	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5]){1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Co<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5]){1|H<1>,1|N<3>,4|C<3>}	121.9210	0.000	1	121.9684	1.221	29	121.9684	1.221	29	122.0326	1.589	37	121.5849	2.654	127	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:2:	C[5,6a]-3:C[6,6a]-3:N[5]-2:	C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5])	C[6,6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5])	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5]){1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Cu<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5]){1|H<1>,1|N<3>,4|C<3>}	122.2238	1.073	6	121.9684	1.221	29	121.9684	1.221	29	122.0326	1.589	37	121.5849	2.654	127	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:2:	C[5,6a]-3:C[6,6a]-3:N[5]-2:	C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5])	C[6,6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5])	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5]){1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Cu<5>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5]){1|H<1>,1|N<3>,4|C<3>}	121.7855	0.657	4	121.9684	1.221	29	121.9684	1.221	29	122.0326	1.589	37	121.5849	2.654	127	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:2:	C[5,6a]-3:C[6,6a]-3:N[5]-2:	C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5])	C[6,6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5])	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5]){1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Fe<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5]){1|H<1>,1|N<3>,4|C<3>}	122.0312	1.266	16	121.9684	1.221	29	121.9684	1.221	29	122.0326	1.589	37	121.5849	2.654	127	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:2:	C[5,6a]-3:C[6,6a]-3:N[5]-2:	C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5])	C[6,6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5])	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5]){1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ru<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5]){1|H<1>,1|N<3>,4|C<3>}	121.7780	0.000	1	121.9684	1.221	29	121.9684	1.221	29	122.0326	1.589	37	121.5849	2.654	127	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:2:	C[6,6a]-3:C[5,6a]-3:N[5]-2:	C[5,6a]-3:C[6,6a]-3:N[6]-3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[6,6a]C[6,6a]N[6])(C[5,6a]C[6a]N[5])(N[5]Se[5])	C[6,6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6a]C[6])(N[6]C[6]C)	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6a]C[6a]H)(N[5]Se[5])	C[5,6a](C[6,6a]C[6,6a]N[6])(C[5,6a]C[6a]N[5])(N[5]Se[5]){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6a]C[6])(N[6]C[6]C){1|Se<2>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]){1|C<3>,1|H<1>,1|N<3>}	118.8600	0.000	1	118.8600	0.000	1	118.8600	0.000	1	122.0326	1.589	37	121.5849	2.654	127	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:2:	C[6,6a]-3:C[5,6a]-3:O[5]-2:	C[6,6,6a]-3:C[6,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[6,6a]C[6,6,6a]C[6,6a])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]O[5])	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[6,6a]C[6,6,6a]C[6,6a])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]O[5]){1|N<3>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<4>,2|C<3>,2|H<1>}	122.6817	1.012	3	123.1305	1.488	4	123.1305	1.488	4	122.0326	1.589	37	121.5849	2.654	127	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:2:	C[6,6a]-3:C[5,6a]-3:O[5]-2:	C[6,6,6a]-3:C[6,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[6,6a]C[6,6,6a]C[6,6a])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]O[5])	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[6,6a]C[6,6,6a]C[6,6a])(C[5,6a]C[6a]O[5])(O[5]C[5]){3|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]O[5]){1|C<4>,1|H<1>,1|N<3>,1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){2|H<1>,3|C<3>}	124.4770	0.000	1	123.1305	1.488	4	123.1305	1.488	4	122.0326	1.589	37	121.5849	2.654	127	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:2:	C[6,6a]-3:C[5,6a]-3:O[5]-2:	C[6,6a,6a]-3:C[6,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]O[5])	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5])	C[5,6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[5,6a]C[6a]O[5])(O[5]C[5]){3|H<1>,4|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]O[5]){1|C<4>,1|H<1>,1|N<2>,1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5]){2|H<1>,3|C<3>}	123.3060	0.000	1	122.9770	0.216	2	122.9770	0.216	2	122.0326	1.589	37	121.5849	2.654	127	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:2:	C[6,6a]-3:C[5,6a]-3:O[5]-2:	C[6,6a,6a]-3:C[6,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]O[5])	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5])	C[5,6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[5,6a]C[6a]O[5])(O[5]C[5]){3|H<1>,4|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]O[5]){1|N<2>,2|C<4>,2|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5]){2|H<1>,3|C<3>}	122.6480	0.000	1	122.9770	0.216	2	122.9770	0.216	2	122.0326	1.589	37	121.5849	2.654	127	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:2:	C[6,6a]-3:C[5,6a]-3:O[5]-2:	C[6,6a]-3:C[5,6a]-3:N[6]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[6,6a]C[6,6a]N[6])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[5,6a]C[5,6a]O[5])(N[6]C[6]C)	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[6,6a]C[6,6a]N[6])(C[5,6a]C[6a]O[5])(O[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[5,6a]C[5,6a]O[5])(N[6]C[6]C){1|H<1>,2|C<3>,2|O<2>,4|C<4>}	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	120.7860	0.000	1	120.7860	0.000	1	120.7860	0.000	1	122.0326	1.589	37	121.5849	2.654	127	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:3:	C[5,6a]-3:C[6,6a]-3:N[5]-2:	C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]O[5])	C[6,6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]O[5]O)	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]O[5]){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6,6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Cu<5>,1|H<1>,1|O<2>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]O[5]O){1|H<1>,1|N<3>,3|C<3>}	121.4615	0.374	2	121.4615	0.140	2	121.4615	0.140	2	120.8707	1.117	3	121.5849	2.654	127	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:3:	C[5,6a]-3:C[6,6a]-3:N[5]-2:	C[6,6a]-3:C[5,6a]-3:C[6]-3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]S[5])	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[5,6a]C[5,6a]N[5])(C[6]C[6]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6,6a]N[5])(N[5]S[5]H)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]S[5]){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[5,6a]C[5,6a]N[5])(C[6]C[6]H){1|N<2>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6,6a]N[5])(N[5]S[5]H){1|H<1>,1|N<2>,2|O<1>,3|C<3>}	119.6890	0.000	1	119.6890	0.000	1	119.6890	0.000	1	120.8707	1.117	3	121.5849	2.654	127	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5,6a]	3:3:2:	3:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:O[5]-2:	C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[5,5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(C[6,6a]C[6,6a]C[6])(O[5]C[5,5,6])	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[5,6a](C[5,5,6,6]C[5,5,6]C[5,6]C[6,6])(C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(C[6,6a]C[6,6a]C[6])(O[5]C[5,5,6]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,5,6,6]C[5,5,6]C[5,6]C[6,6])(C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	122.1630	0.718	2	122.1630	0.516	2	122.1630	0.516	2	122.1630	0.516	2	121.5849	2.654	127	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:2:	C[6,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6]C[6a])(C[6]N[6]CH)	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]C)(O[5]C[5])	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6]C[6a])(C[6]N[6]CH){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	122.4190	0.000	1	122.4190	0.000	1	123.0214	0.129	10	122.8176	0.162	16	121.5849	2.654	127	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:2:	C[6,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6]C[6a])(C[6]N[6]CH)	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6]C[6a])(C[6]N[6]CH){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	123.4470	0.000	1	123.4470	0.000	1	123.0214	0.129	10	122.8176	0.162	16	121.5849	2.654	127	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:2:	C[6,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6]C[6a])(C[6]N[6]HH)	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6]C[6a])(C[6]N[6]HH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	123.2260	0.000	1	123.0357	0.161	3	123.0214	0.129	10	122.8176	0.162	16	121.5849	2.654	127	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:2:	C[6,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6]C[6a])(C[6]N[6]HH)	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6]C[6a])(C[6]N[6]HH){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	123.3060	0.000	1	123.0357	0.161	3	123.0214	0.129	10	122.8176	0.162	16	121.5849	2.654	127	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:2:	C[6,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6]C[6a])(C[6]N[6]HH)	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|N<3>,2|C<3>,5|H<1>}	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6]C[6a])(C[6]N[6]HH){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	122.5750	0.000	1	123.0357	0.161	3	123.0214	0.129	10	122.8176	0.162	16	121.5849	2.654	127	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:2:	C[6,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6a]C[6])(C[6]N[6,6]CH)	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]C)(O[5]C[5])	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6a]C[6])(C[6]N[6,6]CH){1|C<3>,1|H<1>,1|S<2>,2|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	122.6530	0.000	1	122.6530	0.000	1	123.0214	0.129	10	122.8176	0.162	16	121.5849	2.654	127	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:2:	C[6,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6a]C[6])(C[6]N[6,6]HH){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	123.0420	0.000	1	123.1470	0.031	4	123.0214	0.129	10	122.8176	0.162	16	121.5849	2.654	127	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:2:	C[6,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6a]C[6])(C[6]N[6,6]HH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	123.2870	0.115	2	123.1470	0.031	4	123.0214	0.129	10	122.8176	0.162	16	121.5849	2.654	127	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:2:	C[6,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|C<3>,1|C<4>,1|N<4>,5|H<1>}	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6a]C[6])(C[6]N[6,6]HH){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	122.9720	0.000	1	123.1470	0.031	4	123.0214	0.129	10	122.8176	0.162	16	121.5849	2.654	127	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:2:	C[6,6a]-3:C[5,6a]-3:O[5]-2:	C[6,6a]-3:C[5,6a]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]O[5])(C[6]N[6]CH)	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]O[5])(C[6]N[6]CH){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	122.5440	0.228	2	122.5440	0.052	2	122.4778	0.034	6	122.8176	0.162	16	121.5849	2.654	127	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:2:	C[6,6a]-3:C[5,6a]-3:O[5]-2:	C[6,6a]-3:C[5,6a]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]O[5])(C[6]N[6]HH)	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|N<3>,2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]O[5])(C[6]N[6]HH){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	122.3645	0.122	2	122.3645	0.015	2	122.4778	0.034	6	122.8176	0.162	16	121.5849	2.654	127	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:2:	C[6,6a]-3:C[5,6a]-3:O[5]-2:	C[6,6a]-3:C[5,6a]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]O[5])(C[6]N[6]HO)	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]O[5])(C[6]N[6]HO){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	122.5250	0.253	2	122.5250	0.064	2	122.4778	0.034	6	122.8176	0.162	16	121.5849	2.654	127	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5,6a]	3:3:2:	3:3:4:	3:4:3:	C[5,6a]-3:C[6,6a]-3:O[5]-2:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6,6a]C[6,6a]C[6])(O[5]C[5,6])	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6a]O[6])(C[6]C[6,6]CH)	C[5,6a](C[5,6a]C[6,6a]O[5])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6,6a]C[6,6a]C[6])(O[5]C[5,6]){2|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6a]O[6])(C[6]C[6,6]CH){2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6,6a]O[5])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]O){2|C<3>,2|H<1>,4|C<4>}	123.5230	0.000	1	123.5230	0.000	1	123.5230	0.000	1	123.5230	0.000	1	121.5849	2.654	127	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[5,6a]-3:S[6]-2:	C[5,6a]-3:C[6a,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6,6a]C[6,6a]S[6])	C[6,6a](C[6,6a]C[6a,6a]S[6])(C[5,6a]C[5,6a]2)(S[6]C[6])	C[5,6a](C[5,6a]C[5,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6,6a]C[6,6a]S[6]){1|C<4>,1|S<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]S[6])(C[5,6a]C[5,6a]2)(S[6]C[6]){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H){1|H<1>,1|S<2>,7|C<3>}	120.4360	0.000	1	120.4360	0.000	1	119.5505	1.568	2	119.5577	0.784	3	121.5849	2.654	127	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[5,6a]-3:S[6]-2:	C[5,6a]-3:C[6a,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5])(C[6,6a]C[6,6a]S[6])	C[6,6a](C[6,6a]C[6a,6a]S[6])(C[5,6a]C[5,6a]2)(S[6]C[6])	C[5,6a](C[5,6a]C[5,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5])(C[6,6a]C[6,6a]S[6]){1|C<4>,1|H<1>,1|S<2>,6|C<3>}	C[6,6a](C[6,6a]C[6a,6a]S[6])(C[5,6a]C[5,6a]2)(S[6]C[6]){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H){1|H<1>,1|S<2>,7|C<3>}	118.6650	0.000	1	118.6650	0.000	1	119.5505	1.568	2	119.5577	0.784	3	121.5849	2.654	127	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6,6a]-3:O[6]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[6,6a]C[6,6a]O[6])(C[5,6a]C[6a]C[5])(C[5]C[5]O)	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]O[6])(O[6]C[6,6])	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5,6a](C[6,6a]C[6,6a]O[6])(C[5,6a]C[6a]C[5])(C[5]C[5]O){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]O[6])(O[6]C[6,6]){1|O<1>,2|C<3>,2|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	119.5720	0.000	1	119.5720	0.000	1	119.5720	0.000	1	119.5577	0.784	3	121.5849	2.654	127	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[6,6a]-3:N[5]-3:	C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]O[5]O)	C[6,6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]O[5])	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]O[5]O){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Cu<5>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]O[5]){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	123.8955	0.798	2	123.8955	0.637	2	123.8955	0.637	2	120.3860	7.015	9	121.5849	2.654	127	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[6,6a]-3:N[5]-3:	C[6,6a]-3:C[5,6a]-3:C[6]-3:	C[6a,6a]-3:C[5,6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]S[5]H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[5,6a]C[5,6a]N[5])(C[6]C[6]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6,6a]N[5])(N[5]S[5])	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]S[5]H){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[5,6a]C[5,6a]N[5])(C[6]C[6]H){1|S<4>,2|C<3>,2|N<2>,3|H<1>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6,6a]N[5])(N[5]S[5]){1|N<2>,2|H<1>,2|O<1>,3|C<3>}	123.0840	0.000	1	123.0840	0.000	1	123.0840	0.000	1	120.3860	7.015	9	121.5849	2.654	127	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(C[5]C[5]O)	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]C[6])(C[6]C[6]O)	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]C)(O[5]C[5])	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(C[5]C[5]O){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]C[6])(C[6]C[6]O){1|C<4>,1|H<1>,2|C<3>,2|O<1>,2|O<2>}	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|O<2>}	118.6552	1.366	5	118.7665	1.567	6	118.7665	1.567	6	120.3860	7.015	9	121.5849	2.654	127	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(C[5]C[5]O)	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]C[6])(C[6]C[6]O)	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]C)(O[5]C[5])	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(C[5]C[5]O){1|O<1>,3|C<3>,3|C<4>}	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]C[6])(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]C)(O[5]C[5]){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	119.3230	0.000	1	118.7665	1.567	6	118.7665	1.567	6	120.3860	7.015	9	121.5849	2.654	127	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:	C[5,6a]-3:N[6,6a]-3:C[6]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6,6a]N[6,6a]C[6])(C[5]C[5,6a]O)	C[6,6a](C[5,6a]C[5,6a]C[5])(N[6,6a]C[6a]C[6])(C[6]C[6]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6,6a]N[6,6a]C[6])(C[5]C[5,6a]O){2|H<1>,5|C<3>}	C[6,6a](C[5,6a]C[5,6a]C[5])(N[6,6a]C[6a]C[6])(C[6]C[6]H){2|H<1>,2|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	120.4370	0.000	1	120.4370	0.000	1	120.4370	0.000	1	122.3253	0.973	9	121.5849	2.654	127	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[5,6a]-3:C[6]-3:	C[5,6a]-3:C[5a,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6,6a]C[6,6a]C[6])(C[5]N[5]O)	C[6,6a](C[6,6a]C[5a,6a]N[6])(C[5,6a]C[5,6a]C[5])(C[6]C[6]H)	C[5,6a](C[5,6a]C[6,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]N[5]O)	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6,6a]C[6,6a]C[6])(C[5]N[5]O){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5a,6a]N[6])(C[5,6a]C[5,6a]C[5])(C[6]C[6]H){1|Pt<4>,1|H<1>,1|O<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]N[5]O){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	122.5690	0.376	2	122.7763	0.200	3	122.7763	0.200	3	122.3253	0.973	9	121.5849	2.654	127	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[5,6a]-3:C[6]-3:	C[5,6a]-3:C[5a,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6,6a]C[6,6a]C[6])(C[5]N[5]O)	C[6,6a](C[6,6a]C[5a,6a]N[6])(C[5,6a]C[5,6a]C[5])(C[6]C[6]H)	C[5,6a](C[5,6a]C[6,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]N[5]O)	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6,6a]C[6,6a]C[6])(C[5]N[5]O){1|Si<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[5a,6a]N[6])(C[5,6a]C[5,6a]C[5])(C[6]C[6]H){1|Pt<4>,1|H<1>,1|O<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]N[5]O){1|Si<4>,1|N<3>,1|O<1>,4|C<3>}	123.1910	0.000	1	122.7763	0.200	3	122.7763	0.200	3	122.3253	0.973	9	121.5849	2.654	127	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6,6a]-3:N[5]-3:	C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5]C)	C[6,6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5]C)	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5]C){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ru<6>,1|C<4>,1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5]C){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	122.3945	1.101	2	122.3945	1.212	2	122.3680	1.023	4	122.3253	0.973	9	121.5849	2.654	127	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6,6a]-3:N[5]-3:	C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5]H)	C[6,6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5]H)	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5]H){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ru<9>,2|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5]H){1|N<3>,2|H<1>,4|C<3>}	122.3415	1.361	2	122.3415	1.853	2	122.3680	1.023	4	122.3253	0.973	9	121.5849	2.654	127	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6,6a]-3:N[5]-3:	C[6,6a]-3:C[5,6a]-3:C[6]-3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5]H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[5,6a]C[5,6a]N[5])(C[6]C[6]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6,6a]N[5])(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5]H){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[5,6a]C[5,6a]N[5])(C[6]C[6]H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6,6a]N[5])(N[5]C[5]H){1|N<2>,2|H<1>,4|C<3>}	122.6900	0.000	1	122.6900	0.000	1	122.6900	0.000	1	122.3253	0.973	9	121.5849	2.654	127	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:C[6,6a]-3:C[5]-3:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6,6a]C[6,6a]C[6])(C[5]C[5,6a]O)	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6,6a]C[5])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6,6a]C[6,6a]C[6])(C[5]C[5,6a]O){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<4>,1|N<2>,1|O<1>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6,6a]C[5])(N[6a]C[6a]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	120.7550	0.000	1	120.7550	0.000	1	120.7550	0.000	1	120.7550	0.000	1	121.5849	2.654	127	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[5,6a]-3:C[6,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6,6a]C[6,6a]C[6])(C[5]N[5]O)	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]2)(C[6]C[6]HH)	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6,6a]C[6,6a]C[6])(C[5]N[5]O)	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6,6a]C[6,6a]C[6])(C[5]N[5]O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]2)(C[6]C[6]HH){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6,6a]C[6,6a]C[6])(C[5]N[5]O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	121.8850	0.075	2	121.7693	0.083	10	121.8671	0.093	14	121.8390	0.098	15	121.5849	2.654	127	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[5,6a]-3:C[6,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6,6a]C[6,6a]C[6])(C[5]N[5]O)	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]2)(C[6]C[6]HH)	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6,6a]C[6,6a]C[6])(C[5]N[5]O)	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6,6a]C[6,6a]C[6])(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]2)(C[6]C[6]HH){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6,6a]C[6,6a]C[6])(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	121.7404	0.318	8	121.7693	0.083	10	121.8671	0.093	14	121.8390	0.098	15	121.5849	2.654	127	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[5,6a]-3:C[6,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6,6a]C[6,6a]C[6])(C[5]O[5]O)	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]2)(C[6]C[6]HH)	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6,6a]C[6,6a]C[6])(C[5]O[5]O)	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6,6a]C[6,6a]C[6])(C[5]O[5]O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]2)(C[6]C[6]HH){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6,6a]C[6,6a]C[6])(C[5]O[5]O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	122.1115	0.205	4	122.1115	0.042	4	121.8671	0.093	14	121.8390	0.098	15	121.5849	2.654	127	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[6,6a,6a]-3:C[5,6a]-3:C[6]-4:	C[5,6a]-3:C[6a,6a]-3:C[5]-3:	C[5,6a](C[6,6a]C[6,6a,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[5,6a]C[5,6a]2)(C[6]C[6]HH)	C[5,6a](C[5,6a]C[5,6a]C[6,6a])(C[6a,6a]C[3x6a]C[6a])(C[5]C[5,6a]C)	C[5,6a](C[6,6a]C[6,6a,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5]){1|C<2>,1|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[5,6a]C[5,6a]2)(C[6]C[6]HH){1|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6,6a])(C[6a,6a]C[3x6a]C[6a])(C[5]C[5,6a]C){1|C<4>,1|H<1>,5|C<3>}	121.4460	0.000	1	121.4460	0.000	1	121.4460	0.000	1	121.8390	0.098	15	121.5849	2.654	127	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5,6a]	3:3:3:	3:4:3:	3:3:4:	C[6,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6,6]-4:C[6,6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[6a]C[5])(C[5]O[5]O)	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]O)(C[5]O[5]HH)	C[5,6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[6a]C[5])(C[5]O[5]O){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6]){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]O)(C[5]O[5]HH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	123.9530	0.000	1	123.9530	0.000	1	123.9530	0.000	1	123.9530	0.000	1	121.5849	2.654	127	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5,6a]	3:3:3:	4:3:3:	3:3:4:	C[6,6a]-3:C[5,6a]-3:C[5]-3:	C[4,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[6,6a]C[6,6a]C[4,6])(C[5,6a]C[6a]C[5])(C[5]O[5]O)	C[6,6a](C[4,6]C[4,5,6]C[4]H)(C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]O[6])	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]O)(C[5]O[5]HH)	C[5,6a](C[6,6a]C[6,6a]C[4,6])(C[5,6a]C[6a]C[5])(C[5]O[5]O){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6a](C[4,6]C[4,5,6]C[4]H)(C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]O[6]){1|C<3>,1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]O)(C[5]O[5]HH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	124.1140	0.000	1	124.1140	0.000	1	124.1140	0.000	1	124.1140	0.000	1	121.5849	2.654	127	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5,6a]	3:3:4:	3:3:2:	3:3:2:	C[6,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6,6a]-3:O[6]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[6,6a]C[6,6a]O[6])(C[5,6a]C[6a]O[5])(C[5]C[5]HH)	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]C[6])(O[6]C[6,6])	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[6,6a]C[6,6a]O[6])(C[5,6a]C[6a]O[5])(C[5]C[5]HH){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]C[6])(O[6]C[6,6]){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<2>,2|C<3>,4|H<1>}	118.5870	0.336	3	118.2820	0.447	4	118.2820	0.447	4	118.2820	0.447	4	121.5849	2.654	127	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5,6a]	3:3:4:	3:3:2:	3:3:2:	C[6,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6,6a]-3:O[6]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[6,6a]C[6,6a]O[6])(C[5,6a]C[6a]O[5])(C[5]C[5]HH)	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]C[6])(O[6]C[6,6])	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[6,6a]C[6,6a]O[6])(C[5,6a]C[6a]O[5])(C[5]C[5]HH){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]C[6])(O[6]C[6,6]){1|Pd<4>,1|C<3>,1|N<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|Pd<4>,1|O<2>,2|C<3>,3|H<1>}	117.3670	0.000	1	118.2820	0.447	4	118.2820	0.447	4	118.2820	0.447	4	121.5849	2.654	127	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5,6a]	3:3:4:	3:3:2:	3:3:3:	C[6,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6,6a]-3:O[6]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[6,6a]C[6,6a]O[6])(C[5,6a]C[6a]C[5])(C[5]N[5]CH)	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]O[6])(O[6]C[6,6])	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[6,6a]C[6,6a]O[6])(C[5,6a]C[6a]C[5])(C[5]N[5]CH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]O[6])(O[6]C[6,6]){1|H<1>,1|N<3>,2|C<4>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	119.1340	0.000	1	119.1340	0.000	1	119.3790	0.046	3	119.3790	0.046	3	121.5849	2.654	127	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5,6a]	3:3:4:	3:3:2:	3:3:3:	C[6,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6,6a]-3:O[6]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[6,6a]C[6,6a]O[6])(C[5,6a]C[6a]C[5])(C[5]O[5]CO)	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]O[6])(O[6]C[6,6])	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[6,6a]C[6,6a]O[6])(C[5,6a]C[6a]C[5])(C[5]O[5]CO){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]O[6])(O[6]C[6,6]){1|O<1>,2|C<4>,3|C<3>,3|O<2>}	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	119.5240	0.000	1	119.5015	0.001	2	119.3790	0.046	3	119.3790	0.046	3	121.5849	2.654	127	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5,6a]	3:3:4:	3:3:2:	3:3:3:	C[6,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6,6a]-3:O[6]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[6,6a]C[6,6a]O[6])(C[5,6a]C[6a]C[5])(C[5]O[5]CO)	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]O[6])(O[6]C[6,6])	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[6,6a]C[6,6a]O[6])(C[5,6a]C[6a]C[5])(C[5]O[5]CO){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]O[6])(O[6]C[6,6]){2|C<4>,3|C<3>,4|O<2>}	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,3|O<2>}	119.4790	0.000	1	119.5015	0.001	2	119.3790	0.046	3	119.3790	0.046	3	121.5849	2.654	127	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:2:	C[6,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(C[5]C[5]CH)	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]C[6])(C[6]C[6]H)	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(C[5]C[5]CH){3|C<3>,4|H<1>}	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]C[6])(C[6]C[6]H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	118.0405	1.231	2	118.0405	1.516	2	118.0405	1.516	2	118.0405	1.516	2	121.5849	2.654	127	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6]C[6a])(C[6]C[5,6]O)	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6]C[6a])(C[6]C[5,6]O){2|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,5|H<1>}	119.2460	0.000	1	119.2460	0.000	1	119.8095	0.134	6	119.8095	0.134	6	121.5849	2.654	127	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6]C[6a])(C[6]C[5a,6]O)	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6]C[6a])(C[6]C[5a,6]O){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,5|H<1>}	119.9222	0.268	5	119.9222	0.072	5	119.8095	0.134	6	119.8095	0.134	6	121.5849	2.654	127	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[6,6a]-3:C[5]-4:	C[6,6a]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6,6a]2)(C[5]C[5]HH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]P[6])	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6,6a]2)(C[5]C[5]HH){1|P<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]P[6]){1|O<1>,2|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){2|C<3>,5|H<1>}	121.1450	0.000	1	121.1450	0.000	1	120.6555	0.116	4	120.6248	0.091	5	121.5849	2.654	127	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[6,6a]-3:C[5]-4:	C[6,6a]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6,6a]2)(C[5]O[5]HH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]C[6])	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6,6a]2)(C[5]O[5]HH){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]C[6]){1|C<4>,1|N<3>,1|O<2>,3|C<3>,6|H<1>}	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){2|C<3>,3|H<1>}	120.5115	0.158	2	120.4923	0.014	3	120.6555	0.116	4	120.6248	0.091	5	121.5849	2.654	127	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[6,6a]-3:C[5]-4:	C[6,6a]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6,6a]2)(C[5]O[5]HH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]C[6])	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6,6a]2)(C[5]O[5]HH){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]C[6]){1|C<4>,2|O<2>,3|C<3>,6|H<1>}	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){2|C<3>,3|H<1>}	120.4540	0.000	1	120.4923	0.014	3	120.6555	0.116	4	120.6248	0.091	5	121.5849	2.654	127	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:4:	C[6,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6]C[6a])(C[6]C[5a,6]O)	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6]C[6a])(C[6]C[5a,6]O){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,5|H<1>}	120.5020	0.000	1	120.5020	0.000	1	120.5020	0.000	1	120.6248	0.091	5	121.5849	2.654	127	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:3:	C[5,6a]-3:C[6,6a]-3:C[5]-4:	C[6,6a,6a]-3:C[5,6a]-3:C[6]-4:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6,6a]C[6,6a,6a]C[6])(C[5]C[5,6a]CO)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[5,6a]C[5,6a]C[5])(C[6]C[6]HH)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6,6a]C[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6,6a]C[6,6a,6a]C[6])(C[5]C[5,6a]CO){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[5,6a]C[5,6a]C[5])(C[6]C[6]HH){1|C<2>,1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6,6a]C[5]){1|C<2>,1|C<4>,1|O<2>,2|H<1>,5|C<3>}	123.3560	0.000	1	123.3560	0.000	1	123.3560	0.000	1	123.3560	0.000	1	121.5849	2.654	127	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:4:	C[6,6a]-3:C[5,6a]-3:C[5]-4:	C[6,6a]-3:C[5,6a]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6]C[6]HH)	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6]C[6]HH){2|C<4>,3|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,3|C<3>,3|H<1>}	121.3520	0.071	2	121.3520	0.005	2	121.3520	0.005	2	121.3520	0.005	2	121.5849	2.654	127	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5,6a]	3:3:4:	3:3:4:	3:4:3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6,6a]C[6,6a]C[6])(C[5,6]C[5,6]C[6]H)	C[6,6a](C[5,6a]C[5,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[5,6a](C[5,6a]C[6,6a]C[5,6])(C[5,6]C[5,6]C[6,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6,6a]C[6,6a]C[6])(C[5,6]C[5,6]C[6]H){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	C[6,6a](C[5,6a]C[5,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[6,6a]C[5,6])(C[5,6]C[5,6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	121.3050	0.000	1	121.3050	0.000	1	121.3050	0.000	1	122.0730	1.180	2	121.5849	2.654	127	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5,6a]	3:3:4:	3:3:4:	3:4:3:	C[6,6a]-3:C[5,6a]-3:P[5]-4:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]B[5])(P[5]C[6a]2N[5])	C[6,6a](C[5,6a]C[5,6a]P[5])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[5,6a](C[5,6a]C[6,6a]P[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H)	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]B[5])(P[5]C[6a]2N[5]){1|O<2>,2|C<4>,3|H<1>,7|C<3>}	C[6,6a](C[5,6a]C[5,6a]P[5])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|B<4>,1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6,6a]P[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,8|C<3>}	122.8410	0.000	1	122.8410	0.000	1	122.8410	0.000	1	122.0730	1.180	2	121.5849	2.654	127	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5,6a]	4:3:3:	3:3:2:	3:3:4:	C[5,6,6]-4:C[5,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[5,6a]-3:O[6]-2:	C[6a,6a]-3:C[5,6a]-3:C[5,6]-4:	C[5,6a](C[5,6,6]C[6,6,6a]C[5,6]C[6])(C[5,6a]C[6a,6a]C[5,6])(C[6,6a]C[6,6,6a]O[6])	C[6,6a](C[6,6,6a]C[6,6a,6a]C[6,6])(C[5,6a]C[5,6,6]C[5,6a])(O[6]C[5,6])	C[5,6a](C[6a,6a]C[6,6a,6a]C[6a])(C[5,6a]C[5,6,6]C[6,6a])(C[5,6]C[5,6]C[6]H)	C[5,6a](C[5,6,6]C[6,6,6a]C[5,6]C[6])(C[5,6a]C[6a,6a]C[5,6])(C[6,6a]C[6,6,6a]O[6]){2|C<4>,2|O<2>,4|H<1>,5|C<3>}	C[6,6a](C[6,6,6a]C[6,6a,6a]C[6,6])(C[5,6a]C[5,6,6]C[5,6a])(O[6]C[5,6]){1|H<1>,2|O<2>,3|C<3>,5|C<4>}	C[5,6a](C[6a,6a]C[6,6a,6a]C[6a])(C[5,6a]C[5,6,6]C[6,6a])(C[5,6]C[5,6]C[6]H){1|H<1>,1|O<1>,2|C<4>,2|O<2>,5|C<3>}	122.5595	0.810	2	122.5595	0.656	2	122.5595	0.656	2	122.5595	0.656	2	121.5849	2.654	127	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:C[6a,6a]-3:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[5]N[5]O)	C[6a,6a](C[5,6a]C[5,6,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,6a]C[6a,6a]C[5])(C[6,6a]N[6a]C[6])(C[5,6]C[6]N[5])	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[5,6a]C[5,6,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6,6a](C[5,6a]C[6a,6a]C[5])(C[6,6a]N[6a]C[6])(C[5,6]C[6]N[5]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	118.8190	0.000	1	118.5937	0.039	9	118.5937	0.039	9	118.4525	0.234	10	118.4525	0.234	10	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:C[6a,6a]-3:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[5]N[5]O)	C[6a,6a](C[5,6a]C[5,6,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,6a]C[6a,6a]C[5])(C[6,6a]N[6a]C[6])(C[5,6]C[6]N[5])	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[5,6a]C[5,6,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6,6a](C[5,6a]C[6a,6a]C[5])(C[6,6a]N[6a]C[6])(C[5,6]C[6]N[5]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	118.3530	0.000	1	118.5937	0.039	9	118.5937	0.039	9	118.4525	0.234	10	118.4525	0.234	10	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:C[6a,6a]-3:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[5]N[5]O)	C[6a,6a](C[5,6a]C[5,6,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,6a]C[6a,6a]C[5])(C[6,6a]N[6a]C[6])(C[5,6]C[6]N[5])	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[5,6a]C[5,6,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|F<1>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6,6a](C[5,6a]C[6a,6a]C[5])(C[6,6a]N[6a]C[6])(C[5,6]C[6]N[5]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	118.5820	0.000	1	118.5937	0.039	9	118.5937	0.039	9	118.4525	0.234	10	118.4525	0.234	10	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:C[6a,6a]-3:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[5]N[5]O)	C[6a,6a](C[5,6a]C[5,6,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,6a]C[6a,6a]C[5])(C[6,6a]N[6a]C[6])(C[5,6]C[6]N[5])	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[5,6a]C[5,6,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6,6a](C[5,6a]C[6a,6a]C[5])(C[6,6a]N[6a]C[6])(C[5,6]C[6]N[5]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	118.5837	0.092	3	118.5937	0.039	9	118.5937	0.039	9	118.4525	0.234	10	118.4525	0.234	10	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:C[6a,6a]-3:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[5]N[5]O)	C[6a,6a](C[5,6a]C[5,6,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,6a]C[6a,6a]C[5])(C[6,6a]N[6a]C[6])(C[5,6]C[6]N[5])	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[5]N[5]O){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[5,6a]C[5,6,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6,6a](C[5,6a]C[6a,6a]C[5])(C[6,6a]N[6a]C[6])(C[5,6]C[6]N[5]){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	118.5630	0.000	1	118.5937	0.039	9	118.5937	0.039	9	118.4525	0.234	10	118.4525	0.234	10	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:C[6a,6a]-3:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[5]N[5]O)	C[6a,6a](C[5,6a]C[5,6,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,6a]C[6a,6a]C[5])(C[6,6a]N[6a]C[6])(C[5,6]C[6]N[5])	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[5]N[5]O){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[5,6a]C[5,6,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6,6a](C[5,6a]C[6a,6a]C[5])(C[6,6a]N[6a]C[6])(C[5,6]C[6]N[5]){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	118.6375	0.428	2	118.5937	0.039	9	118.5937	0.039	9	118.4525	0.234	10	118.4525	0.234	10	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:C[6a,6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6,6a]-3:C[5,6a]-3:C[5,6]-3:	C[5,6a](C[5,6,6a]C[5a,6,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[5]N[5]O)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)	C[5,6,6a](C[5a,6,6a]N[5a,6a]C[5a,6])(C[5,6a]C[6a,6a]C[5])(C[5,6]C[6]N[5])	C[5,6a](C[5,6,6a]C[5a,6,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[5]N[5]O){1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6,6a](C[5a,6,6a]N[5a,6a]C[5a,6])(C[5,6a]C[6a,6a]C[5])(C[5,6]C[6]N[5]){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	117.1820	0.000	1	117.1820	0.000	1	117.1820	0.000	1	118.4525	0.234	10	118.4525	0.234	10	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a,6a]-3:S[5]-2:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6,6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6,6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(S[5]S[5])	C[6a,6a](C[5,6a]C[5,6a,6a]S[5])(C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[6a,6a]S[5])2(C[6,6a,6a]C[6,6a]2)	C[5,6a](C[5,6a,6a]C[6,6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(S[5]S[5]){1|H<1>,5|C<3>}	C[6a,6a](C[5,6a]C[5,6a,6a]S[5])(C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a]C[6a,6a]S[5])2(C[6,6a,6a]C[6,6a]2){6|C<3>}	121.4825	0.367	2	121.4825	0.135	2	121.4825	0.135	2	121.4825	0.135	2	119.1363	2.334	42	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[5,6a]-3:C[5,6a]-3:C[3x6a]-3:	C[5,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[3x6a]C[6a])	C[5,6a,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[3x6a]C[6a,6a]2)	C[5,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,8|C<3>}	C[6a,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[3x6a]C[6a]){1|H<1>,9|C<3>}	C[5,6a,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[3x6a]C[6a,6a]2){1|H<1>,7|C<3>}	118.8590	0.000	1	118.8590	0.000	1	118.8590	0.000	1	118.5156	1.307	30	119.1363	2.334	42	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,8|C<3>}	C[6a,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5,6a,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a,6a]C[6a]2){3|H<1>,5|C<3>}	118.3270	0.000	1	118.3270	0.000	1	118.3270	0.000	1	118.5156	1.307	30	119.1363	2.334	42	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5a,6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5,6a])	C[6a,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5,6a]){1|H<1>,8|C<3>}	C[6a,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,7|C<3>}	C[5,6a,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a]){2|H<1>,6|C<3>}	117.6790	0.000	1	117.6790	0.000	1	117.6790	0.000	1	118.5156	1.307	30	119.1363	2.334	42	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5,6a,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])	C[6a,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[6a,6a]C[5,6a])2(C[5,6a,6a]C[5,6a]2)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a]){2|H<1>,7|C<3>}	C[6a,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5,6a,6a](C[5,6a]C[6a,6a]C[5,6a])2(C[5,6a,6a]C[5,6a]2){8|C<3>}	117.4780	0.523	4	117.4780	0.274	4	117.4780	0.274	4	118.5156	1.307	30	119.1363	2.334	42	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5a,6a,6a]-3:	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])	C[6a,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[6a,6a]C[5,6a])2(C[5a,6a,6a]C[5a,6a]2)	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a]){2|H<1>,7|C<3>}	C[6a,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5,6a,6a](C[5,6a]C[6a,6a]C[5,6a])2(C[5a,6a,6a]C[5a,6a]2){8|C<3>}	117.8615	0.151	2	117.8615	0.023	2	117.8615	0.023	2	118.5156	1.307	30	119.1363	2.334	42	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[6a,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|H<1>,8|C<3>}	C[6a,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5,6a,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a,6a]C[6a]2){3|H<1>,5|C<3>}	117.7490	0.000	1	117.7490	0.000	1	118.6211	0.523	8	118.5156	1.307	30	119.1363	2.334	42	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])	C[6a,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a]){1|H<1>,8|C<3>}	C[6a,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5,6a,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a,6a]C[6a]2){3|H<1>,5|C<3>}	119.0650	0.000	1	119.1530	0.015	2	118.6211	0.523	8	118.5156	1.307	30	119.1363	2.334	42	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])	C[6a,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a]){2|H<1>,7|C<3>}	C[6a,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5,6a,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a,6a]C[6a]2){3|H<1>,5|C<3>}	119.2410	0.000	1	119.1530	0.015	2	118.6211	0.523	8	118.5156	1.307	30	119.1363	2.334	42	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])	C[6a,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[6a,6a]C[5,6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a]){1|Cl<1>,1|H<1>,7|C<3>}	C[6a,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<2>,2|H<1>,5|C<3>}	C[5,6a,6a](C[5,6a]C[6a,6a]C[5,6a])2(C[6a,6a]C[6a]2){2|C<2>,6|C<3>}	118.9930	0.735	2	118.5828	0.579	5	118.6211	0.523	8	118.5156	1.307	30	119.1363	2.334	42	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])	C[6a,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[6a,6a]C[5,6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a]){1|H<1>,8|C<3>}	C[6a,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<2>,2|H<1>,5|C<3>}	C[5,6a,6a](C[5,6a]C[6a,6a]C[5,6a])2(C[6a,6a]C[6a]2){2|C<2>,6|C<3>}	117.8605	0.060	2	118.5828	0.579	5	118.6211	0.523	8	118.5156	1.307	30	119.1363	2.334	42	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])	C[6a,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[6a,6a]C[5,6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a]){2|H<1>,7|C<3>}	C[6a,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5,6a,6a](C[5,6a]C[6a,6a]C[5,6a])2(C[6a,6a]C[6a]2){8|C<3>}	119.2070	0.000	1	118.5828	0.579	5	118.6211	0.523	8	118.5156	1.307	30	119.1363	2.334	42	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[3x6a]-3:	C[5,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]C)	C[6a,6a](C[5,6a]C[5,6a,6a]C[5])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[6a,6a]C[5])2(C[3x6a]C[6a,6a]2)	C[5,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]C){1|H<1>,6|C<3>}	C[6a,6a](C[5,6a]C[5,6a,6a]C[5])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5,6a,6a](C[5,6a]C[6a,6a]C[5])2(C[3x6a]C[6a,6a]2){8|C<3>}	118.9935	0.218	2	118.9935	0.048	2	118.9935	0.048	2	118.5156	1.307	30	119.1363	2.334	42	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]O)	C[6a,6a](C[5,6a]C[5,6a,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[5,6a]C[5,5]C[6a])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]O){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](C[5,6a]C[5,6a,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[5,6a]C[5,5]C[6a])(C[6a,6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	120.1690	0.000	1	120.1690	0.000	1	119.5657	0.739	6	118.5156	1.307	30	119.1363	2.334	42	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]H)	C[6a,6a](C[5,6a]C[5,6a,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]H){1|Br<1>,1|H<1>,5|C<3>}	C[6a,6a](C[5,6a]C[5,6a,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|Br<1>,3|C<3>,4|H<1>}	119.2390	0.000	1	119.0648	0.121	4	119.5657	0.739	6	118.5156	1.307	30	119.1363	2.334	42	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]H)	C[6a,6a](C[5,6a]C[5,6a,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]H){1|H<1>,6|C<3>}	C[6a,6a](C[5,6a]C[5,6a,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){4|C<3>,4|H<1>}	119.0067	0.402	3	119.0648	0.121	4	119.5657	0.739	6	118.5156	1.307	30	119.1363	2.334	42	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]O)	C[6a,6a](C[5,6a]C[5,6a,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]O){2|H<1>,6|C<3>}	C[6a,6a](C[5,6a]C[5,6a,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|O<1>,4|C<3>,4|H<1>}	120.9660	0.000	1	120.9660	0.000	1	119.5657	0.739	6	118.5156	1.307	30	119.1363	2.334	42	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]N[5]O)	C[6a,6a](C[5,6a]C[5,6a,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[5,6a]C[6a]N[5])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]N[5]O){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[5,6a]C[5,6a,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|F<1>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[5,6a]C[6a]N[5]){1|O<1>,2|H<1>,4|C<3>}	118.5220	0.000	1	118.9177	1.026	4	118.9177	1.026	4	118.5156	1.307	30	119.1363	2.334	42	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]N[5]O)	C[6a,6a](C[5,6a]C[5,6a,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[5,6a]C[6a]N[5])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]N[5]O){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[5,6a]C[5,6a,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[5,6a]C[6a]N[5]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	120.4310	0.000	1	118.9177	1.026	4	118.9177	1.026	4	118.5156	1.307	30	119.1363	2.334	42	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]N[5]O)	C[6a,6a](C[5,6a]C[5,6a,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[5,6a]C[6a]N[5])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]N[5]O){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[5,6a]C[5,6a,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[5,6a]C[6a]N[5]){1|O<1>,2|H<1>,4|C<3>}	118.3590	0.083	2	118.9177	1.026	4	118.9177	1.026	4	118.5156	1.307	30	119.1363	2.334	42	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[5a,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(C[5]C[5,6a]C[6a])	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[5a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(C[5]C[5,6a]C[6a]){1|H<1>,8|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H){8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[5a,6a]C[6a])(C[5,6a]C[6a,6a]C[5]){1|H<1>,7|C<3>}	114.9460	0.000	1	114.9460	0.000	1	114.9460	0.000	1	118.5156	1.307	30	119.1363	2.334	42	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a,6a]-3:B[5]-4:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(B[5]B[5]PP)	C[6a,6a](C[5,6a]C[5,6a,6a]B[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[6a,6a]B[5])(C[5,6a]C[6a]B[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(B[5]B[5]PP){1|H<1>,6|C<3>}	C[6a,6a](C[5,6a]C[5,6a,6a]B[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|B<3>,2|P<4>,3|C<3>,3|H<1>}	C[5,6a,6a](C[5,6a]C[6a,6a]B[5])(C[5,6a]C[6a]B[5])(C[6a,6a]C[6a]2){2|P<4>,3|H<1>,4|C<3>}	117.8770	0.000	1	117.8770	0.000	1	117.8770	0.000	1	120.7587	1.939	8	119.1363	2.334	42	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a,6a]-3:P[5]-4:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[3x6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[6a,6a]C[6a,6a]C[6a])(P[5]C[5,6a]C[6a]Au)	C[6a,6a](C[5,6a]C[5,6a,6a]P[5])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[6a,6a]P[5])(C[3x6a]C[6a,6a]2)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[6a,6a]C[6a,6a]C[6a])(P[5]C[5,6a]C[6a]Au){1|H<1>,8|C<3>}	C[6a,6a](C[5,6a]C[5,6a,6a]P[5])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|Au<2>,2|O<2>,6|C<3>}	C[5,6a,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[6a,6a]P[5])(C[3x6a]C[6a,6a]2){1|Au<2>,8|C<3>}	121.7880	0.281	2	121.7880	0.079	2	121.7395	0.039	4	120.7587	1.939	8	119.1363	2.334	42	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a,6a]-3:P[5]-4:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[3x6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[6a,6a]C[6a,6a]C[6a])(P[5]C[5,6a]C[6a]S)	C[6a,6a](C[5,6a]C[5,6a,6a]P[5])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[6a,6a]P[5])(C[3x6a]C[6a,6a]2)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[6a,6a]C[6a,6a]C[6a])(P[5]C[5,6a]C[6a]S){1|H<1>,8|C<3>}	C[6a,6a](C[5,6a]C[5,6a,6a]P[5])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|S<2>,2|O<2>,6|C<3>}	C[5,6a,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[6a,6a]P[5])(C[3x6a]C[6a,6a]2){1|S<2>,8|C<3>}	121.6910	0.171	2	121.6910	0.029	2	121.7395	0.039	4	120.7587	1.939	8	119.1363	2.334	42	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a,6a]-3:P[5]-4:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(P[5]P[5]OS)	C[6a,6a](C[5,6a]C[5,6a,6a]P[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]P)	C[5,6a,6a](C[5,6a]C[6a,6a]P[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(P[5]P[5]OS){1|P<4>,2|C<4>,5|C<3>}	C[6a,6a](C[5,6a]C[5,6a,6a]P[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]P){1|O<1>,1|P<4>,1|S<1>,3|C<3>,3|H<1>}	C[5,6a,6a](C[5,6a]C[6a,6a]P[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2){1|O<1>,1|S<1>,2|C<4>,3|C<3>,3|H<1>}	119.9110	0.000	1	119.9110	0.000	1	120.0205	0.024	2	120.7587	1.939	8	119.1363	2.334	42	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a,6a]-3:P[5]-4:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(P[5]P[5]SeO)	C[6a,6a](C[5,6a]C[5,6a,6a]P[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]P)	C[5,6a,6a](C[5,6a]C[6a,6a]P[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(P[5]P[5]SeO){1|P<4>,2|C<4>,5|C<3>}	C[6a,6a](C[5,6a]C[5,6a,6a]P[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]P){1|Se<1>,1|O<1>,1|P<4>,3|C<3>,3|H<1>}	C[5,6a,6a](C[5,6a]C[6a,6a]P[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2){1|Se<1>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	120.1300	0.000	1	120.1300	0.000	1	120.0205	0.024	2	120.7587	1.939	8	119.1363	2.334	42	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a,6a]-3:P[5]-4:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(P[5]C[6a]C[5]S)	C[6a,6a](C[5,6a]C[5,6a,6a]P[5])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5,6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[5,6a]C[5a,6a]C[5])(C[5,6a]C[6a,6a]P[5])	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(P[5]C[6a]C[5]S){1|H<1>,8|C<3>}	C[6a,6a](C[5,6a]C[5,6a,6a]P[5])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|S<1>,1|S<2>,2|O<2>,5|C<3>}	C[5,6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[5,6a]C[5a,6a]C[5])(C[5,6a]C[6a,6a]P[5]){1|S<1>,1|S<2>,7|C<3>}	121.1940	0.000	1	121.1940	0.000	1	121.1940	0.000	1	120.7587	1.939	8	119.1363	2.334	42	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a,6a]	4:3:3:	3:3:3:	3:3:3:	Si[5,5]-4:C[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](Si[5,5]C[5,6a]Si[5,5]C[6a])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[5,6a]C[5,6a,6a]Si[5,5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[6a,6a]Si[5,5])(C[5,6a]Si[5,5]C[6a])(C[6a,6a]C[6a]2)	C[5,6a](Si[5,5]C[5,6a]Si[5,5]C[6a])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a]){11|C<3>,1|H<1>}	C[6a,6a](C[5,6a]C[5,6a,6a]Si[5,5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|Si<4>,3|H<1>,5|C<3>}	C[5,6a,6a](C[5,6a]C[6a,6a]Si[5,5])(C[5,6a]Si[5,5]C[6a])(C[6a,6a]C[6a]2){3|H<1>,7|C<3>}	119.6105	0.169	2	119.6105	0.029	2	119.6105	0.029	2	119.6105	0.029	2	119.1363	2.334	42	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:2:	3:3:2:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:C[5]-2:	C[6a,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[5,6a]-3:S[5]-2:	C[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]S[5])(C[5]C[5])	C[6a,6a](C[6a,6a]C[5,6a]N[6a])(C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5,6a]C[5,6a]S[5])(S[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]S[5])(C[5]C[5]){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[5,6a]N[6a])(C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a]){1|C<2>,1|S<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5,6a]C[5,6a]S[5])(S[5]C[5]){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	119.6370	0.689	2	119.6370	0.474	2	119.6370	0.474	2	120.6081	1.826	7	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:2:	3:3:2:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:N[5]-2:	C[6a,6a]-3:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:N[5]-2:	C[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[6a,6a]N[5])(N[5]S[5])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(N[6a]C[6a])	C[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[6a,6a]N[5])(N[5]S[5])	C[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[6a,6a]N[5])(N[5]S[5]){1|N<2>,2|O<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(N[6a]C[6a]){1|N<2>,1|S<4>,2|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[6a,6a]N[5])(N[5]S[5]){1|N<2>,2|O<1>,3|C<3>}	119.5260	0.218	2	119.5260	0.047	2	119.5260	0.047	2	120.6081	1.826	7	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:2:	3:3:2:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:S[5]-2:	C[5,6a]-3:C[6a,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[6a]N[5])(S[5]S[5])	C[6a,6a](C[5,6a]C[5,6a]S[5])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])	C[5,6a](C[5,6a]C[6a,6a]S[5])(C[6a]C[6a]C)(N[5]S[5])	C[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[6a]N[5])(S[5]S[5]){1|C<4>,1|N<2>,2|C<3>}	C[6a,6a](C[5,6a]C[5,6a]S[5])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]S[5])(C[6a]C[6a]C)(N[5]S[5]){1|C<3>,1|H<1>,1|N<2>}	121.9770	0.541	3	121.9770	0.293	3	121.9770	0.293	3	120.6081	1.826	7	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:2:	3:3:2:	3:4:3:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[6a,6a]-3:N[6a]-2:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6]C[6a])(O[5]C[5])	C[6a,6a](C[5,6a]C[5,6a]O[5])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6]C[6a])(O[5]C[5]){1|C<4>,3|H<1>,4|C<3>}	C[6a,6a](C[5,6a]C[5,6a]O[5])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|N<2>,2|C<4>,5|H<1>}	122.5960	0.000	1	122.5960	0.000	1	122.5960	0.000	1	122.5960	0.000	1	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:2:	C[5,6a]-3:C[6a,6a]-3:N[5]-2:	C[6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a,6a]C[6a,6a]2)(N[5]S[5])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[5,6a]C[5,6a]N[5])	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a,6a]C[6a,6a]2)(N[5]S[5])	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a,6a]C[6a,6a]2)(N[5]S[5]){2|O<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[5,6a]C[5,6a]N[5]){1|N<2>,1|S<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a,6a]C[6a,6a]2)(N[5]S[5]){2|O<1>,5|C<3>}	120.8540	0.242	6	120.8540	0.058	6	120.8540	0.058	6	121.6707	2.078	66	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:N[5]-2:	C[3x6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:N[5]-2:	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5])	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5])	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]){1|H<1>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|H<1>,1|N<2>,5|C<3>}	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]){1|H<1>,5|C<3>}	122.5900	1.451	2	122.5900	2.105	2	120.9457	2.077	6	121.6707	2.078	66	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:N[5]-2:	C[3x6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:N[5]-2:	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]S[5])	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]S[5])	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]S[5]){1|H<1>,2|O<1>,4|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|S<4>,4|C<3>}	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]S[5]){1|H<1>,2|O<1>,4|C<3>}	119.9505	0.214	2	119.9505	0.046	2	120.9457	2.077	6	121.6707	2.078	66	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:N[5]-2:	C[3x6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:N[5]-2:	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]Se[5])	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]Se[5])	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]Se[5]){1|H<1>,4|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|Se<2>,1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]Se[5]){1|H<1>,4|C<3>}	120.2965	0.026	2	120.2965	0.001	2	120.9457	2.077	6	121.6707	2.078	66	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:N[5]-2:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5])(N[5]S[5])	C[6a,6a](C[5,6a]C[5,6a]N[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]O)(S[5]S[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5])(N[5]S[5]){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[5,6a]C[5,6a]N[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<3>,2|C<3>,2|H<1>,2|S<2>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]O)(S[5]S[5]){1|O<3>,2|C<3>}	118.4190	0.000	1	118.9985	0.672	2	118.9985	0.672	2	121.6707	2.078	66	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:N[5]-2:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5])(N[5]S[5])	C[6a,6a](C[5,6a]C[5,6a]N[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]O)(S[5]S[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5])(N[5]S[5]){1|H<1>,1|O<4>,3|C<3>}	C[6a,6a](C[5,6a]C[5,6a]N[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>,2|S<2>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]O)(S[5]S[5]){1|O<2>,2|C<3>}	119.5780	0.000	1	118.9985	0.672	2	118.9985	0.672	2	121.6707	2.078	66	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:N[5]-2:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(N[5]Se[5])	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[5a]C[6a])(N[5]Se[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(N[5]Se[5]){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|Se<2>,1|H<1>,2|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[5a]C[6a])(N[5]Se[5]){1|H<1>,1|S<2>,3|C<3>}	120.2380	0.000	1	120.2380	0.000	1	120.2380	0.000	1	121.6707	2.078	66	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:N[5]-2:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:N[5]-2:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]){1|C<4>,1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]){1|C<4>,1|H<1>,4|C<3>}	122.2935	0.541	2	121.4898	1.001	4	120.4124	0.799	16	121.6707	2.078	66	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:N[5]-2:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:N[5]-2:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]){1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]){1|H<1>,1|N<3>,5|C<3>}	120.6860	0.354	2	121.4898	1.001	4	120.4124	0.799	16	121.6707	2.078	66	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:N[5]-2:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:N[5]-2:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]S[5])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]S[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]S[5]){1|H<1>,2|O<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|N<2>,1|S<4>,2|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]S[5]){1|H<1>,2|O<1>,4|C<3>}	119.9840	0.076	2	119.9840	0.006	2	120.4124	0.799	16	121.6707	2.078	66	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:N[5]-2:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:N[5]-2:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]S[5])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]S[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]S[5]){1|H<1>,1|N<2>,2|O<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|H<1>,1|S<4>,2|C<3>,2|N<2>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]S[5]){1|H<1>,1|N<2>,2|O<1>,3|C<3>}	120.0672	0.555	10	120.0672	0.309	10	120.4124	0.799	16	121.6707	2.078	66	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[3x6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a,6a]O[5])(O[5]C[5])	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a,6a]O[5])(O[5]C[5])	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a,6a]O[5])(O[5]C[5]){1|H<1>,2|C<4>,4|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a,6a]O[5])(O[5]C[5]){1|H<1>,2|C<4>,4|C<3>}	123.2295	0.260	6	123.2295	0.068	6	123.2295	0.068	6	121.6707	2.078	66	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[6a,6a]C[6a,6a]C[6,6a])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[6a,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]2)(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6,6a])(C[5,6a]C[6a]O[5])(O[5]C[5]){3|H<1>,4|C<3>}	C[6a,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]2)(C[6a,6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,3|C<3>,3|O<2>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	122.5480	0.000	1	122.5480	0.000	1	122.5480	0.000	1	121.6707	2.078	66	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[6a,6a]-3:C[5,6a]-3:C[6,6a,6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[6a,6a]C[6,6a,6a]C[6a,6a])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(C[6,6a,6a]C[6,6a]2)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[6a,6a]C[6,6a,6a]C[6a,6a])(C[5,6a]C[6a]O[5])(O[5]C[5]){3|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(C[6,6a,6a]C[6,6a]2){1|C<4>,1|H<1>,1|N<3>,1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){2|H<1>,3|C<3>}	123.3702	0.537	4	123.0848	0.369	6	123.0848	0.369	6	121.6707	2.078	66	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[6a,6a]-3:C[5,6a]-3:C[6,6a,6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[6a,6a]C[6,6a,6a]C[6a,6a])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(C[6,6a,6a]C[6,6a]2)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[6a,6a]C[6,6a,6a]C[6a,6a])(C[5,6a]C[6a]O[5])(O[5]C[5]){3|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(C[6,6a,6a]C[6,6a]2){1|H<1>,1|N<3>,1|O<2>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<4>,2|C<3>,2|H<1>}	122.5140	0.059	2	123.0848	0.369	6	123.0848	0.369	6	121.6707	2.078	66	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[6a,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]O[5])(O[5]C[5])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]O[5])(O[5]C[5]){3|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(C[6a,6a]C[6a]2){1|C<4>,1|H<1>,1|N<3>,1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|H<1>,3|C<3>}	123.0000	0.000	1	123.0000	0.000	1	123.0000	0.000	1	121.6707	2.078	66	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:P[5]-2:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]P[5])(O[5]C[5])	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]H)(P[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]P[5])(O[5]C[5]){2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H){1|O<2>,1|P<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]H)(P[5]C[5]){1|H<1>,3|C<3>}	124.1650	0.000	1	124.1650	0.000	1	124.1650	0.000	1	121.6707	2.078	66	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]O[5])(O[5]C[5])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]O[5])(O[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]O[5])(O[5]C[5]){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|N<2>,1|O<2>,2|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]O[5])(O[5]C[5]){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	123.0135	0.162	2	123.0135	0.026	2	122.9557	0.299	12	121.6707	2.078	66	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]O[5])(O[5]P[5,5])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]O[5])(O[5]P[5,5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]O[5])(O[5]P[5,5]){1|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H){1|O<2>,1|P<5>,2|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]O[5])(O[5]P[5,5]){1|H<1>,7|C<3>}	122.9827	0.616	6	122.9827	0.379	6	122.9557	0.299	12	121.6707	2.078	66	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]O[5])(O[5]P[5])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]O[5])(O[5]P[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]O[5])(O[5]P[5]){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H){1|O<2>,1|P<3>,2|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]O[5])(O[5]P[5]){1|H<1>,5|C<3>}	123.0895	0.476	2	123.0895	0.226	2	122.9557	0.299	12	121.6707	2.078	66	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]O[5])(O[5]Si[3x5])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]O[5])(O[5]Si[3x5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]O[5])(O[5]Si[3x5]){1|H<1>,4|C<3>,4|N<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H){1|Si<6>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]O[5])(O[5]Si[3x5]){1|H<1>,4|C<3>,4|N<3>}	122.6830	0.972	2	122.6830	0.944	2	122.9557	0.299	12	121.6707	2.078	66	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:S[5]-2:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(S[5]S[5])	C[6a,6a](C[5,6a]C[5,6a]S[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]S[5])(C[6a]C[6a]H)(N[5]S[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(S[5]S[5]){2|H<1>,3|C<3>}	C[6a,6a](C[5,6a]C[5,6a]S[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|S<2>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a,6a]S[5])(C[6a]C[6a]H)(N[5]S[5]){1|H<1>,2|C<3>}	122.0580	0.317	2	122.0580	0.100	2	122.0580	0.100	2	121.6707	2.078	66	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:S[5]-2:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5])(S[5]C[5])	C[6a,6a](C[5,6a]C[5,6a]S[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]S[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5])(S[5]C[5]){2|H<1>,4|C<3>}	C[6a,6a](C[5,6a]C[5,6a]S[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|S<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a,6a]S[5])(C[6a]C[6a]H)(S[5]C[5]){1|H<1>,3|C<3>}	120.6270	0.000	1	120.6270	0.000	1	120.6270	0.000	1	121.6707	2.078	66	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:S[5]-2:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:S[5]-2:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]S[5])(S[5]C[5])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]S[5])(S[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]S[5])(S[5]C[5]){1|H<1>,1|N<2>,1|S<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]S[5])(S[5]C[5]){1|H<1>,1|N<2>,1|S<1>,3|C<3>}	121.5580	0.240	2	121.5580	0.058	2	121.5580	0.058	2	121.6707	2.078	66	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:Se[5]-2:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(Se[5]C[5])	C[6a,6a](C[5,6a]C[5,6a]Se[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]Se[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(Se[5]C[5]){2|H<1>,4|C<3>}	C[6a,6a](C[5,6a]C[5,6a]Se[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a,6a]Se[5])(C[6a]C[6a]H)(N[5]C[5]){1|H<1>,3|C<3>}	121.2185	0.425	2	121.2185	0.181	2	121.2367	0.091	3	121.6707	2.078	66	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:Se[5]-2:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(Se[5]Se[5])	C[6a,6a](C[5,6a]C[5,6a]Se[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]Se[5])(C[6a]C[6a]H)(N[5]Se[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(Se[5]Se[5]){2|H<1>,3|C<3>}	C[6a,6a](C[5,6a]C[5,6a]Se[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|Se<2>,1|N<2>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a,6a]Se[5])(C[6a]C[6a]H)(N[5]Se[5]){1|H<1>,2|C<3>}	121.2730	0.000	1	121.2730	0.000	1	121.2367	0.091	3	121.6707	2.078	66	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-2:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(C[5]C[5])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(N[5]C[5]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(C[5]C[5]){1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(N[5]C[5]H){1|H<1>,1|N<2>,4|C<3>}	121.2880	0.000	1	121.2880	0.000	1	121.2880	0.000	1	122.7991	1.784	15	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:N[5]-2:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[5])(N[5]C[5])	C[6a,6a](C[5,6a]C[5,6a]N[5])2(C[6a,6a]C[5,6a]2)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[5,6a]C[5,6a]C[5])(C[5]C[5]H)	C[5,6a](C[6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[5])(N[5]C[5]){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[5,6a]C[5,6a]N[5])2(C[6a,6a]C[5,6a]2){2|N<2>,6|C<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[5,6a]C[5,6a]C[5])(C[5]C[5]H){1|H<1>,1|N<2>,4|C<3>}	122.1840	0.760	4	122.1840	0.578	4	122.1840	0.578	4	122.7991	1.784	15	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:N[5]-2:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:N[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6,6a]N[5])(N[5]S[5])	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]S[5]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6,6a]N[5])(N[5]S[5]){1|N<2>,2|H<1>,2|O<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|H<1>,1|S<4>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]S[5]H){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	119.9810	0.000	1	119.9810	0.000	1	119.9810	0.000	1	122.7991	1.784	15	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5,6])	C[6a,6a](C[5,6a]C[5,6a]O[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5,6]){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[5,6a]C[5,6a]O[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	123.7562	0.374	4	123.7562	0.140	4	123.7562	0.140	4	122.7991	1.784	15	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5])	C[6a,6a](C[5,6a]C[5,6a]O[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5]){1|O<1>,2|H<1>,4|C<3>}	C[6a,6a](C[5,6a]C[5,6a]O[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){1|H<1>,1|O<1>,2|C<3>}	124.7870	0.000	1	124.7870	0.000	1	124.2815	0.511	2	122.7991	1.784	15	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5])	C[6a,6a](C[5,6a]C[5,6a]O[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5]){1|C<4>,1|O<1>,1|S<4>,2|H<1>,3|C<3>}	C[6a,6a](C[5,6a]C[5,6a]O[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	123.7760	0.000	1	123.7760	0.000	1	124.2815	0.511	2	122.7991	1.784	15	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:Se[5]-2:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(Se[5]C[5,6a])	C[6a,6a](C[5,6a]C[5,6a]Se[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]Se[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(Se[5]C[5,6a]){2|H<1>,5|C<3>}	C[6a,6a](C[5,6a]C[5,6a]Se[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]Se[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	123.2110	0.000	1	123.2110	0.000	1	123.2110	0.000	1	122.7991	1.784	15	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:Se[5]-2:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(Se[5]C[5])	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]Se[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(Se[5]C[5]){3|C<3>,4|H<1>}	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H){1|Se<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]Se[5])(C[6a]C[6a]H)(C[5]C[5]H){2|C<3>,2|H<1>}	123.6540	0.000	1	123.6540	0.000	1	123.6540	0.000	1	122.7991	1.784	15	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:Se[5]-2:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(Se[5]C[5])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]C)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]Se[5])(C[5]C[5]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(Se[5]C[5]){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]C){2|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]Se[5])(C[5]C[5]H){1|H<1>,5|C<3>}	121.5280	0.000	1	121.5280	0.000	1	121.5280	0.000	1	122.7991	1.784	15	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a,6a]-3:O[5]-2:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a,6a]C[6a,6a]C[6a])(O[5]C[5,5])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]O[5])(C[5,5]C[5,5]O[5]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a,6a]C[6a,6a]C[6a])(O[5]C[5,5]){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]O[5])(C[5,5]C[5,5]O[5]H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	123.9130	0.000	1	123.9130	0.000	1	123.9130	0.000	1	123.0116	0.397	10	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:N[5]-2:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5])	C[6a,6a](C[5,6a]C[5,6a]N[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]){2|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[5,6a]C[5,6a]N[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|H<1>,3|C<3>}	122.7110	0.000	1	122.7110	0.000	1	122.1175	0.704	2	123.0116	0.397	10	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:N[5]-2:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5])	C[6a,6a](C[5,6a]C[5,6a]N[5])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]O[6a]O)(C[5]C[5]CC)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a,6a](C[5,6a]C[5,6a]N[5])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]O[6a]O)(C[5]C[5]CC){3|C<3>}	121.5240	0.000	1	121.5240	0.000	1	122.1175	0.704	2	123.0116	0.397	10	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:N[5]-2:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(N[5]C[5])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(C[5]C[6a]C[5]C)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(N[5]C[5]){1|C<4>,1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(C[5]C[6a]C[5]C){1|H<1>,7|C<3>}	123.4190	0.000	1	123.4190	0.000	1	123.4190	0.000	1	123.0116	0.397	10	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5])	C[6a,6a](C[5,6a]C[5,6a]O[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]C[3])(C[5]C[5]HH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5]){1|C<4>,3|C<3>,5|H<1>}	C[6a,6a](C[5,6a]C[5,6a]O[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]C[3])(C[5]C[5]HH){2|C<3>,2|C<4>,4|H<1>}	123.2405	0.315	2	123.2405	0.099	2	123.0915	0.050	6	123.0116	0.397	10	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5])	C[6a,6a](C[5,6a]C[5,6a]O[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5]){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a,6a](C[5,6a]C[5,6a]O[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|O<1>,1|O<2>,2|C<3>}	123.0490	0.000	1	123.0490	0.000	1	123.0915	0.050	6	123.0116	0.397	10	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5])	C[6a,6a](C[5,6a]C[5,6a]O[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5]){4|C<3>,5|H<1>}	C[6a,6a](C[5,6a]C[5,6a]O[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|H<1>,3|C<3>}	123.2060	0.000	1	123.2060	0.000	1	123.0915	0.050	6	123.0116	0.397	10	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5])	C[6a,6a](C[5,6a]C[5,6a]O[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]N[6a])(C[5]C[5]HH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5]){1|N<2>,3|C<3>,5|H<1>}	C[6a,6a](C[5,6a]C[5,6a]O[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]N[6a])(C[5]C[5]HH){2|H<1>,4|C<3>}	122.7970	0.000	1	122.7970	0.000	1	123.0915	0.050	6	123.0116	0.397	10	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5])	C[6a,6a](C[5,6a]C[5,6a]O[5])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]O[6a]O)(C[5]C[5]HH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5]){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a,6a](C[5,6a]C[5,6a]O[5])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]C){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]O[6a]O)(C[5]C[5]HH){1|C<4>,1|H<1>,2|C<3>}	123.0160	0.000	1	123.0160	0.000	1	123.0915	0.050	6	123.0116	0.397	10	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:2:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a,6a]-3:O[5]-2:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[3x5]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[3x5])(C[6a,6a]C[6a,6a]C[6a])(O[5]C[3x5])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[3x5]C[3x5]C[5]O[5])(C[5,6a]C[6a,6a]O[5])	C[5,6a](C[5,6a]C[6a,6a]C[3x5])(C[6a,6a]C[6a,6a]C[6a])(O[5]C[3x5]){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[3x5]C[3x5]C[5]O[5])(C[5,6a]C[6a,6a]O[5]){1|O<2>,3|C<4>,3|H<1>,4|C<3>}	125.1940	0.000	1	125.1940	0.000	1	125.1940	0.000	1	123.6462	0.599	18	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:2:	3:3:3:	3:4:3:	C[6a,6a]-3:C[5,6a]-3:N[5]-2:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5])	C[6a,6a](C[5,6a]C[5,6a]N[5])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[5]C[6a]C[5]O)(C[6a]O[6a]O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]){1|H<1>,1|O<1>,2|O<2>,4|C<3>}	C[6a,6a](C[5,6a]C[5,6a]N[5])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[5]C[6a]C[5]O)(C[6a]O[6a]O){5|C<3>}	122.4360	0.000	1	122.4360	0.000	1	122.4360	0.000	1	123.6462	0.599	18	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:2:	3:3:3:	3:4:3:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,5]C[6a])(O[5]C[5])	C[6a,6a](C[5,6a]C[5,6a]O[5])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5,5]C[5]2N[5])(C[6a]O[6a]O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,5]C[6a])(O[5]C[5]){1|H<1>,1|N<3>,1|O<2>,2|O<1>,3|C<3>}	C[6a,6a](C[5,6a]C[5,6a]O[5])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5,5]C[5]2N[5])(C[6a]O[6a]O){1|O<1>,6|C<3>}	123.2160	0.000	1	123.2160	0.000	1	123.2160	0.000	1	123.6462	0.599	18	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:2:	3:3:3:	3:4:3:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6]C[6a])(O[5]C[5,6])	C[6a,6a](C[5,6a]C[5,6a]O[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6]C[6a])(O[5]C[5,6]){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6a,6a](C[5,6a]C[5,6a]O[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	122.7980	0.000	1	122.7980	0.000	1	122.6535	0.042	2	123.6462	0.599	18	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:2:	3:3:3:	3:4:3:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6]C[6a])(O[5]C[5,6])	C[6a,6a](C[5,6a]C[5,6a]O[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5,6]C[5,6]O[6]H)(C[6a]N[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6]C[6a])(O[5]C[5,6]){1|Br<1>,1|N<2>,1|O<2>,3|C<3>,3|H<1>}	C[6a,6a](C[5,6a]C[5,6a]O[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5,6]C[5,6]O[6]H)(C[6a]N[6a]H){1|Br<1>,4|C<3>}	122.5090	0.000	1	122.5090	0.000	1	122.6535	0.042	2	123.6462	0.599	18	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:2:	3:3:3:	3:4:3:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5,5])	C[6a,6a](C[5,6a]C[5,6a]O[5])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[5,5]C[6a]H)(C[6a]O[6a]O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5,5]){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a,6a](C[5,6a]C[5,6a]O[5])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[5,5]C[6a]H)(C[6a]O[6a]O){6|C<3>}	124.1730	0.249	2	124.1730	0.062	2	123.8061	0.316	13	123.6462	0.599	18	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:2:	3:3:3:	3:4:3:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5])	C[6a,6a](C[5,6a]C[5,6a]O[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5]){1|O<2>,3|H<1>,5|C<3>}	C[6a,6a](C[5,6a]C[5,6a]O[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C){1|H<1>,2|O<2>,4|C<3>}	124.1380	0.000	1	124.1380	0.000	1	123.8061	0.316	13	123.6462	0.599	18	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:2:	3:3:3:	3:4:3:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5])	C[6a,6a](C[5,6a]C[5,6a]O[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5]){1|C<2>,3|H<1>,5|C<3>}	C[6a,6a](C[5,6a]C[5,6a]O[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<2>,1|H<1>,5|C<3>}	124.0100	0.000	1	124.4850	0.193	3	123.8061	0.316	13	123.6462	0.599	18	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:2:	3:3:3:	3:4:3:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5])	C[6a,6a](C[5,6a]C[5,6a]O[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5]){1|O<1>,3|H<1>,4|C<3>}	C[6a,6a](C[5,6a]C[5,6a]O[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	124.8760	0.000	1	124.4850	0.193	3	123.8061	0.316	13	123.6462	0.599	18	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:2:	3:3:3:	3:4:3:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5])	C[6a,6a](C[5,6a]C[5,6a]O[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5]){3|H<1>,6|C<3>}	C[6a,6a](C[5,6a]C[5,6a]O[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|H<1>,6|C<3>}	124.5690	0.000	1	124.4850	0.193	3	123.8061	0.316	13	123.6462	0.599	18	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:2:	3:3:3:	3:4:3:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5])	C[6a,6a](C[5,6a]C[5,6a]O[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]N[6a]O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5]){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a,6a](C[5,6a]C[5,6a]O[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]N[6a]O){1|C<4>,1|H<1>,5|C<3>}	123.5720	0.000	1	123.5720	0.000	1	123.8061	0.316	13	123.6462	0.599	18	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:2:	3:3:3:	3:4:3:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5])	C[6a,6a](C[5,6a]C[5,6a]O[5])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]O[6a]O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5]){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a,6a](C[5,6a]C[5,6a]O[5])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]O[6a]O){1|C<4>,5|C<3>}	123.3210	0.000	1	123.3280	0.030	6	123.8061	0.316	13	123.6462	0.599	18	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:2:	3:3:3:	3:4:3:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5])	C[6a,6a](C[5,6a]C[5,6a]O[5])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]O[6a]O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5]){1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6a,6a](C[5,6a]C[5,6a]O[5])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]O[6a]O){1|H<1>,1|N<3>,4|C<3>}	123.4880	0.000	1	123.3280	0.030	6	123.8061	0.316	13	123.6462	0.599	18	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:2:	3:3:3:	3:4:3:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5])	C[6a,6a](C[5,6a]C[5,6a]O[5])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]O[6a]O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5]){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a,6a](C[5,6a]C[5,6a]O[5])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]O[6a]O){1|H<1>,5|C<3>}	123.2897	0.200	4	123.3280	0.030	6	123.8061	0.316	13	123.6462	0.599	18	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:2:	3:3:3:	4:3:3:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6]C[6a])(O[5]C[5,5,6])	C[6a,6a](C[5,6a]C[5,6a]O[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,5,6]O[6]H)(C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]C)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6]C[6a])(O[5]C[5,5,6]){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[5,6a]C[5,6a]O[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,5,6]O[6]H)(C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]C){1|O<2>,2|C<4>,3|C<3>}	124.5640	0.000	1	124.5640	0.000	1	123.1355	1.150	4	123.1355	1.150	4	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:2:	3:3:3:	4:3:3:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6]C[6a])(O[5]C[5,5,6])	C[6a,6a](C[5,6a]C[5,6a]O[5])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O)	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[6a,6a]O[5])(C[6a]O[6a]O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6]C[6a])(O[5]C[5,5,6]){1|H<1>,1|O<1>,2|C<4>,2|O<2>,3|C<3>}	C[6a,6a](C[5,6a]C[5,6a]O[5])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[6a,6a]O[5])(C[6a]O[6a]O){2|C<4>,2|H<1>,3|C<3>}	122.6593	0.604	3	122.6593	0.364	3	123.1355	1.150	4	123.1355	1.150	4	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:N[6a]-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O){1|H<1>,5|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|O<1>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	120.5330	0.000	1	120.5330	0.000	1	120.5330	0.000	1	120.5330	0.000	1	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:2:4:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[3x6a]-3:C[6a]-3:	C[5,6a]-3:O[6a]-2:C[5]-4:	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]O[6a]C[5])(C[5]O[5]O)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(O[6a]C[6a,6a])(C[5]O[5]CC)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]O[6a]C[5])(C[5]O[5]O){1|H<1>,2|C<4>,3|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(O[6a]C[6a,6a])(C[5]O[5]CC){1|O<1>,3|C<3>}	121.8450	0.000	1	121.8450	0.000	1	121.8450	0.000	1	121.8450	0.000	1	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:O[6a]-2:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[6a])(C[5]C[5,6a]C)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(O[6a]C[6a])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[6a])(C[5]C[5,6a]C){1|H<1>,5|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(O[6a]C[6a]){1|H<1>,1|O<1>,5|C<3>}	119.1620	0.000	1	119.1620	0.000	1	119.1620	0.000	1	120.5111	3.913	22	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]C)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]2)(N[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]C){2|H<1>,4|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|I<1>,1|N<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]2)(N[5]C[5]){1|H<1>,1|I<1>,5|C<3>}	117.4760	0.000	1	117.4760	0.000	1	117.4760	0.000	1	120.5111	3.913	22	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]C)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]C){3|H<1>,4|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){2|H<1>,4|C<3>}	118.5950	0.000	1	118.5950	0.000	1	120.0115	1.221	4	120.5111	3.913	22	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]O)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]O){1|O<2>,2|H<1>,4|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	120.8835	0.170	2	120.8835	0.029	2	120.0115	1.221	4	120.5111	3.913	22	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]O)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]C)(O[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]O){2|C<4>,2|O<2>,3|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]O){1|C<4>,1|O<1>,3|C<3>,3|O<2>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|O<2>}	119.6840	0.000	1	119.6840	0.000	1	120.0115	1.221	4	120.5111	3.913	22	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]O)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]C)(O[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]O){2|C<4>,2|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>,3|O<2>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|O<2>}	121.0100	0.204	2	120.7183	0.276	3	120.7183	0.276	3	120.5111	3.913	22	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]O)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]C)(O[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]O){2|C<4>,2|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O){1|C<4>,1|O<1>,2|C<3>,4|O<2>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|O<2>}	120.1350	0.000	1	120.7183	0.276	3	120.7183	0.276	3	120.5111	3.913	22	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:N[5]-2:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5a,6a]N[5])(C[5]C[5]C)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5a,6a]C[5a,6a]N[5a,6])(C[5,6a]C[6a,6a]C[5])(N[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5a,6a]N[5])(C[5]C[5]C){1|N<3>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]N[5a,6])(C[5,6a]C[6a,6a]C[5])(N[5]C[5]){1|B<4>,1|C<4>,1|H<1>,4|C<3>}	119.8530	0.000	1	119.8530	0.000	1	120.0488	8.661	5	120.5111	3.913	22	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:N[5]-2:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5a,6a]N[5])(C[5]C[5]C)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a,6a]C[5])(N[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5a,6a]N[5])(C[5]C[5]C){1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a,6a]C[5])(N[5]C[5]){1|C<4>,5|C<3>}	117.2120	0.000	1	117.2320	0.001	2	120.0488	8.661	5	120.5111	3.913	22	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:N[5]-2:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5a,6a]N[5])(C[5]C[5]C)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a,6a]C[5])(N[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5a,6a]N[5])(C[5]C[5]C){1|H<1>,1|N<3>,4|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a,6a]C[5])(N[5]C[5]){1|C<4>,1|H<1>,5|C<3>}	117.2520	0.000	1	117.2320	0.001	2	120.0488	8.661	5	120.5111	3.913	22	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:N[5]-2:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5a,6a]N[5])(C[5]C[5]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a,6a]C[5])(N[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5a,6a]N[5])(C[5]C[5]H){1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a,6a]C[5])(N[5]C[5]){1|H<1>,5|C<3>}	123.8980	0.000	1	122.9635	1.747	2	120.0488	8.661	5	120.5111	3.913	22	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:N[5]-2:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5a,6a]N[5])(C[5]C[5]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a,6a]C[5])(N[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5a,6a]N[5])(C[5]C[5]H){1|H<1>,1|N<3>,4|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a,6a]C[5])(N[5]C[5]){2|H<1>,5|C<3>}	122.0290	0.000	1	122.9635	1.747	2	120.0488	8.661	5	120.5111	3.913	22	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:Se[5]-2:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]Se[5])(C[5]C[5]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(Se[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]Se[5])(C[5]C[5]H){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|Se<2>,3|H<1>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(Se[5]C[5]){1|C<4>,1|H<1>,5|C<3>}	121.5100	0.000	1	121.5100	0.000	1	121.5100	0.000	1	120.5111	3.913	22	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(N[5]C[5]Ir)	C[6a,6a](C[5,6a]C[5,6a]N[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(N[5]C[5]Ir){2|H<1>,4|C<3>}	C[6a,6a](C[5,6a]C[5,6a]N[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|Ir<6>,1|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ir<6>,1|H<1>,3|C<3>}	119.7485	0.226	2	119.7485	0.051	2	119.7485	0.051	2	120.5111	3.913	22	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5])(N[5]C[5]H)	C[6a,6a](C[5,6a]C[5,6a]N[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5])(N[5]C[5]H){2|H<1>,4|C<3>}	C[6a,6a](C[5,6a]C[5,6a]N[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|S<2>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){2|H<1>,3|C<3>}	121.3850	0.000	1	121.3850	0.000	1	120.4465	1.762	2	120.5111	3.913	22	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5])(N[5]C[5]Zn)	C[6a,6a](C[5,6a]C[5,6a]N[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5])(N[5]C[5]Zn){2|H<1>,4|C<3>}	C[6a,6a](C[5,6a]C[5,6a]N[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|Zn<4>,1|S<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Zn<4>,1|H<1>,3|C<3>}	119.5080	0.000	1	119.5080	0.000	1	120.4465	1.762	2	120.5111	3.913	22	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:N[5]-2:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6,6a]N[5])(N[5]S[5]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]S[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6,6a]N[5])(N[5]S[5]H){1|H<1>,1|N<2>,2|O<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|N<2>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]S[5]){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	124.0980	0.000	1	124.0980	0.000	1	124.0980	0.000	1	120.5111	3.913	22	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-2:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(N[5]C[5]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(C[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(N[5]C[5]H){1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|C<2>,1|N<2>,2|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(C[5]C[5]){1|N<2>,2|H<1>,4|C<3>}	122.9760	0.000	1	122.9760	0.000	1	122.9760	0.000	1	120.5111	3.913	22	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	O[5,6,6]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:O[5]-2:	C[5,6a](O[5,6,6]B[5,6,6]B[6,6])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]O[5])	C[6a,6a](C[5,6a]O[5,6,6]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]O[5,6,6])(C[6a,6a]C[6a,6a]C[6a])(O[5]B[5,6,6])	C[5,6a](O[5,6,6]B[5,6,6]B[6,6])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]O[5]){1|H<1>,1|O<2>,4|C<3>,4|N<3>}	C[6a,6a](C[5,6a]O[5,6,6]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|O<2>,2|B<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5,6,6])(C[6a,6a]C[6a,6a]C[6a])(O[5]B[5,6,6]){1|B<4>,1|H<1>,2|N<3>,4|C<3>}	123.1880	0.000	1	123.1880	0.000	1	123.1880	0.000	1	120.5111	3.913	22	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])	C[5,6a](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,8|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|H<1>,1|O<2>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a]){2|H<1>,7|C<3>}	119.9050	0.000	1	119.9050	0.000	1	120.5520	0.837	2	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a]){2|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|H<1>,1|O<2>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,8|C<3>}	121.1990	0.000	1	121.1990	0.000	1	120.5520	0.837	2	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a,6a]C[6a,6a]2){1|C<4>,8|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|H<1>,9|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]){1|H<1>,8|C<3>}	118.9340	0.000	1	119.6320	0.974	2	119.6320	0.974	2	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a,6a]C[6a,6a]2){1|H<1>,8|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|H<1>,9|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]){1|H<1>,8|C<3>}	120.3300	0.000	1	119.6320	0.974	2	119.6320	0.974	2	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])	C[6a,6a](C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a]){2|H<1>,7|C<3>}	C[6a,6a](C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|Br<1>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	120.4300	0.000	1	120.4300	0.000	1	120.3422	0.203	6	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])	C[6a,6a](C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a]){3|H<1>,6|C<3>}	C[6a,6a](C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	120.0260	0.331	3	120.3246	0.252	5	120.3422	0.203	6	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])	C[6a,6a](C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a]){3|H<1>,6|C<3>}	C[6a,6a](C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	120.7725	0.346	2	120.3246	0.252	5	120.3422	0.203	6	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[6a,6a](C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5]){2|H<1>,7|C<3>}	C[6a,6a](C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	118.8340	0.000	1	118.8340	0.000	1	119.3133	0.206	3	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[6a,6a](C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C)(C[6a]C[6a]Ir)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5]){1|Ir<8>,1|H<1>,7|C<3>}	C[6a,6a](C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C)(C[6a]C[6a]Ir){1|H<1>,4|C<3>}	119.7370	0.000	1	119.7370	0.000	1	119.3133	0.206	3	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[6a,6a](C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5]){2|H<1>,7|C<3>}	C[6a,6a](C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	119.3690	0.000	1	119.3690	0.000	1	119.3133	0.206	3	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[6a,6a](C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5]){2|H<1>,7|C<3>}	C[6a,6a](C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5]){2|H<1>,7|C<3>}	133.2560	0.000	1	133.2560	0.000	1	133.2560	0.000	1	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C)(C[6a]C[6a]Ir)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5]){1|Ir<8>,1|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2){3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C)(C[6a]C[6a]Ir){1|H<1>,4|C<3>}	119.9410	0.000	1	119.9410	0.000	1	118.3897	1.809	3	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5]){1|H<1>,1|O<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2){3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,4|C<3>}	117.6140	0.086	2	117.6140	0.007	2	118.3897	1.809	3	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5]){2|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]H){1|H<1>,6|C<3>}	118.6205	0.212	11	118.6205	0.045	11	118.6205	0.045	11	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]O)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5]){1|C<4>,1|O<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(C[5,6a]C[5,6a]2){1|H<1>,9|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]O)(C[6a]C[6a]C){1|H<1>,4|C<3>}	119.2985	0.049	2	119.2985	0.002	2	119.1192	0.026	6	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]O)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5]){1|C<4>,1|O<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[5,6a]C[5,6a]2){2|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]O)(C[6a]C[6a]C){1|H<1>,4|C<3>}	119.0295	0.100	4	119.0295	0.010	4	119.1192	0.026	6	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a,6a]-3:C[5]-3:	C[3x6a]-3:C[5,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6,6a])(C[6a,6a]C[3x6a]C[6a])(C[5]C[5,6a]C)	C[6a,6a](C[3x6a]C[6,6a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[6,6a]C[6,6a,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])	C[5,6a](C[5,6a]C[5,6a]C[6,6a])(C[6a,6a]C[3x6a]C[6a])(C[5]C[5,6a]C){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[3x6a]C[6,6a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|C<2>,1|H<1>,6|C<3>}	C[5,6a](C[6,6a]C[6,6a,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5]){1|C<2>,1|C<4>,3|H<1>,5|C<3>}	119.7950	0.000	1	119.7950	0.000	1	119.7950	0.000	1	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a,6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a,6a]C[6a,6a]2)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]){1|H<1>,8|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a,6a]C[6a,6a]2){1|C<4>,8|C<3>}	120.4180	0.000	1	120.3520	0.009	2	120.3520	0.009	2	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a,6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a,6a]C[6a,6a]2)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]){1|H<1>,8|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a,6a]C[6a,6a]2){1|H<1>,8|C<3>}	120.2860	0.000	1	120.3520	0.009	2	120.3520	0.009	2	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a,6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]H){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5]){2|H<1>,7|C<3>}	120.9787	0.314	12	120.9787	0.098	12	120.9787	0.098	12	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a,6a]-3:N[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:N[5,5]-3:	C[5,6a](C[5,6a]C[6a,6a]N[5,5])(C[6a,6a]C[6a,6a]C[6a])(N[5]C[5,5]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5,5]C[5,5]B[5])	C[5,6a](C[5,6a]C[6a,6a]N[5,5])(C[6a,6a]C[6a,6a]C[6a])(N[5]C[5,5]C[6a]){1|B<4>,1|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5,5]C[5,5]B[5]){1|H<1>,2|C<4>,7|C<3>}	123.4128	0.096	4	123.4128	0.009	4	123.4128	0.009	4	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a,6a]-3:N[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:N[5,6]-3:	C[5,6a](C[5,6a]C[6a,6a]N[5,6])(C[6a,6a]C[6a,6a]C[6a])(N[5]C[5,6]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5,6]C[5,6]B[6])	C[5,6a](C[5,6a]C[6a,6a]N[5,6])(C[6a,6a]C[6a,6a]C[6a])(N[5]C[5,6]C[6a]){1|B<4>,1|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5,6]C[5,6]B[6]){1|H<1>,1|O<2>,8|C<3>}	122.8720	0.000	1	122.8720	0.000	1	122.8720	0.000	1	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a,6a]-3:P[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(P[5]C[5,6a]W)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]P[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(P[5]C[5,6a]W){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H){1|W<6>,2|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]P[5]){1|W<6>,2|H<1>,6|C<3>}	122.9910	0.000	1	122.9910	0.000	1	122.9910	0.000	1	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])	C[6a,6a](C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5]){1|C<2>,3|H<1>,5|C<3>}	C[6a,6a](C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	119.4250	0.000	1	119.4250	0.000	1	119.5785	0.047	2	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])	C[6a,6a](C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5]){1|O<1>,3|H<1>,5|C<3>}	C[6a,6a](C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,4|C<3>}	119.7320	0.000	1	119.7320	0.000	1	119.5785	0.047	2	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5a,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5]){2|H<1>,7|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2){2|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	120.2020	0.000	1	120.2020	0.000	1	119.3320	1.514	2	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5a,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5]){1|O<1>,1|S<2>,2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2){2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,4|C<3>}	118.4620	0.000	1	118.4620	0.000	1	119.3320	1.514	2	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5]){3|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	120.8450	0.000	1	120.8450	0.000	1	120.3590	0.472	2	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]O)(C[6a]N[6a]N)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5]){1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|Br<1>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]O)(C[6a]N[6a]N){4|C<3>}	119.8730	0.000	1	119.8730	0.000	1	120.3590	0.472	2	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5a,6a]-3:C[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5a,6a]C[5])	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[5a])(C[5]C[5,6a]C[6a])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5a,6a]C[5]){2|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[5a])(C[5]C[5,6a]C[6a]){9|C<3>}	121.8420	0.000	1	121.8420	0.000	1	121.8420	0.000	1	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:P[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]P[5])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(P[5]C[5,6a]W)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]P[5]){1|W<6>,2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|P<3>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(P[5]C[5,6a]W){1|H<1>,6|C<3>}	119.1230	0.000	1	119.1230	0.000	1	119.1230	0.000	1	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[3x6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]){2|H<1>,7|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	120.3045	0.161	2	120.3045	0.026	2	120.3045	0.026	2	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[3x6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]N)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]C)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]N){2|H<1>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|H<1>,1|N<2>,6|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]C){1|N<2>,4|C<3>}	121.3050	0.000	1	121.3050	0.000	1	121.6180	0.075	3	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[3x6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O){1|C<4>,1|O<1>,3|C<3>}	121.7745	0.050	2	121.7745	0.003	2	121.6180	0.075	3	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[6a,6a]C[5])(C[5]N[5]O)	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])	C[5,6a](C[6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[6a,6a]C[5])(C[5]N[5]O)	C[5,6a](C[6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[6a,6a]C[5])(C[5]N[5]O){1|C<4>,1|O<1>,5|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5]){1|H<1>,1|N<3>,1|O<1>,7|C<3>}	C[5,6a](C[6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[6a,6a]C[5])(C[5]N[5]O){1|C<4>,1|O<1>,5|C<3>}	123.5310	0.213	4	123.5310	0.045	4	123.5310	0.045	4	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[3x6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C){2|H<1>,5|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H){1|C<4>,1|H<1>,5|C<3>}	118.5135	0.124	2	118.5135	0.015	2	118.8953	2.274	4	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[3x6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]O)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]){1|H<1>,1|O<2>,7|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]O){1|H<1>,6|C<3>}	117.5130	0.000	1	117.5130	0.000	1	118.8953	2.274	4	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[3x6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O){2|H<1>,5|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H){1|H<1>,1|O<1>,5|C<3>}	121.0410	0.000	1	121.0410	0.000	1	118.8953	2.274	4	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[3x6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]N[5]O)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[3x6a]C[3x6a]2)(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]N[5]O)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[3x6a]C[3x6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	122.4740	0.246	2	122.4740	0.061	2	122.4740	0.061	2	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a]){2|H<1>,7|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5,6a](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H){1|H<1>,6|C<3>}	120.1740	0.000	1	120.1740	0.000	1	120.1740	0.000	1	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]){2|H<1>,7|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	120.3565	0.350	2	120.3565	0.123	2	120.3565	0.123	2	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]2)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C){1|H<1>,6|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]2){1|C<4>,1|H<1>,7|C<3>}	120.0660	0.000	1	120.0660	0.000	1	121.4446	0.630	8	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C){2|H<1>,5|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	121.1720	0.000	1	121.1720	0.000	1	121.4446	0.630	8	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C){2|H<1>,5|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H){1|H<1>,6|C<3>}	121.1250	0.000	1	121.1250	0.000	1	121.4446	0.630	8	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O){2|H<1>,5|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,5|C<3>}	121.3760	0.000	1	121.6077	0.163	4	121.4446	0.630	8	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O){2|H<1>,5|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	122.2100	0.000	1	121.6077	0.163	4	121.4446	0.630	8	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O){2|H<1>,5|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	121.4225	0.060	2	121.6077	0.163	4	121.4446	0.630	8	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O){2|H<1>,5|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,5|C<3>}	122.7630	0.000	1	122.7630	0.000	1	121.4446	0.630	8	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:N[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(N[6a]C[6a]C)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(N[6a]C[6a]C){1|H<1>,2|O<1>,4|C<3>}	121.5690	0.306	4	121.3242	0.370	5	121.3242	0.370	5	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:N[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(N[6a]C[6a]C)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(N[6a]C[6a]C){2|O<1>,5|C<3>}	120.3450	0.000	1	121.3242	0.370	5	121.3242	0.370	5	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]S)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]S){1|O<1>,2|H<1>,4|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|S<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|H<1>,1|S<2>,3|C<3>}	120.0960	0.000	1	120.0960	0.000	1	121.9401	0.750	14	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){2|H<1>,5|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|H<1>,1|O<1>,3|C<3>}	122.8127	0.067	3	122.8127	0.004	3	121.9401	0.750	14	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|O<1>,3|C<3>,3|H<1>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	122.3030	0.000	1	122.3030	0.000	1	121.9401	0.750	14	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(C[5]N[5]N)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|H<1>,2|N<2>,4|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(C[5]N[5]N){1|O<1>,5|C<3>}	121.8750	0.000	1	121.8750	0.000	1	121.9401	0.750	14	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(C[5]N[5]O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(C[5]N[5]O){1|O<1>,5|C<3>}	121.9450	0.000	1	121.7667	0.221	3	121.9401	0.750	14	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(C[5]N[5]O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(C[5]N[5]O){1|O<1>,5|C<3>}	121.6775	0.627	2	121.7667	0.221	3	121.9401	0.750	14	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(C[5]N[5]S)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|H<1>,1|N<2>,1|S<1>,4|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(C[5]N[5]S){1|O<1>,5|C<3>}	123.0230	0.000	1	123.0230	0.000	1	121.9401	0.750	14	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]N[6a]C)(C[5]N[5]C)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]N[6a]C)(C[5]N[5]C){1|O<1>,3|C<3>}	121.4820	0.000	1	121.4820	0.000	1	121.9401	0.750	14	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]N[6a]C)(C[5]N[5]O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]N[6a]C)(C[5]N[5]O){1|O<1>,3|C<3>}	121.2040	0.000	1	121.2040	0.000	1	121.9401	0.750	14	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]N[6a]H)(C[5]N[5]O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]N[6a]H)(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>}	120.8940	0.000	1	120.8940	0.000	1	121.9401	0.750	14	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]O[5]O)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]O[5]O){1|O<1>,2|H<1>,3|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|H<1>,1|O<1>,2|C<3>}	122.5470	0.000	1	122.5470	0.000	1	121.9401	0.750	14	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5])(C[5]C[5]C)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5])(C[5]C[5]C){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2){3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|H<1>,4|C<3>}	119.4257	0.089	3	119.4257	0.008	3	119.7010	0.150	5	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5])(C[5]C[5]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5])(C[5]C[5]H){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2){3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){2|H<1>,3|C<3>}	120.1140	0.122	2	120.1140	0.015	2	119.7010	0.150	5	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C){1|S<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	121.5085	3.081	2	119.7647	13.869	3	119.7745	9.246	4	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C){1|Se<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|Se<2>,1|C<4>,2|H<1>,3|C<3>}	116.2770	0.000	1	119.7647	13.869	3	119.7745	9.246	4	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C){1|Se<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|Se<2>,1|C<4>,2|H<1>,3|C<3>}	119.8040	0.000	1	119.8040	0.000	1	119.7745	9.246	4	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5a,6a]-3:C[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5a,6a]C[5])(C[5]N[5]O)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]N[5]O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5a,6a]C[5])(C[5]N[5]O){1|O<1>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|O<1>,2|N<3>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]N[5]O){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	123.0350	0.000	1	123.0350	0.000	1	123.0350	0.000	1	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5a,6a]C[5])(C[5]C[5]C)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[6a,6a]C[5])(C[5]C[5]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5a,6a]C[5])(C[5]C[5]C){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H){1|H<1>,7|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[6a,6a]C[5])(C[5]C[5]H){1|H<1>,6|C<3>}	119.7510	0.000	1	119.7510	0.000	1	121.5185	6.248	2	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5a,6a]C[5])(C[5]N[5]O)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[6a,6a]C[5])(C[5]N[5]O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5a,6a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[6a,6a]C[5])(C[5]N[5]O){1|C<4>,1|O<1>,4|C<3>}	123.2860	0.000	1	123.2860	0.000	1	121.5185	6.248	2	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]C[5]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]C[5]C)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]C[5]2){9|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]C[5]C){1|H<1>,6|C<3>}	120.1080	0.000	1	120.1080	0.000	1	119.2922	1.235	13	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]C[5]C)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]C[5]2)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]C[5]C){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]C[5]2){9|C<3>}	120.8320	0.000	1	120.8320	0.000	1	119.2922	1.235	13	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]C[6a]C[5])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]C[6a]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]C[6a]C[5]){1|H<1>,1|O<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]C[6a]C[5]){1|H<1>,1|O<1>,7|C<3>}	118.6833	0.746	3	118.6833	0.556	3	119.2922	1.235	13	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]N[5]C)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]N[5]C)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]N[5]C){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]N[5]C){1|H<1>,5|C<3>}	120.0590	1.435	2	120.0590	2.060	2	119.2922	1.235	13	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]Se[5]C)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]Se[5]C)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]Se[5]C){1|C<4>,1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H){1|Se<2>,1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]Se[5]C){1|C<4>,1|H<1>,4|C<3>}	118.9485	1.060	6	118.9485	1.123	6	119.2922	1.235	13	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:N[5,5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])	C[6a,6a](C[5,6a]C[5,6a]N[5,5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]N[5,5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5]){1|O<2>,2|H<1>,2|O<1>,5|C<3>}	C[6a,6a](C[5,6a]C[5,6a]N[5,5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5,5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	121.9240	0.000	1	121.9240	0.000	1	121.9240	0.000	1	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:N[5,5]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:N[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5,5]C[5,5]B[5])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]N[5,5])(C[6a,6a]C[6a,6a]C[6a])(N[5]C[5,5]C[6a])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5,5]C[5,5]B[5]){1|H<1>,2|C<4>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H){1|B<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5,5])(C[6a,6a]C[6a,6a]C[6a])(N[5]C[5,5]C[6a]){1|B<4>,1|H<1>,7|C<3>}	121.7452	0.085	4	121.7452	0.007	4	121.7452	0.007	4	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:N[5,6]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:N[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5,6]C[5,6]B[6])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]N[5,6])(C[6a,6a]C[6a,6a]C[6a])(N[5]C[5,6]C[6a])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5,6]C[5,6]B[6]){1|H<1>,1|O<2>,8|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H){1|B<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5,6])(C[6a,6a]C[6a,6a]C[6a])(N[5]C[5,6]C[6a]){1|B<4>,1|H<1>,7|C<3>}	121.9050	0.000	1	121.9050	0.000	1	121.9050	0.000	1	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[3x6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]C)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]C)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]C){1|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]C){1|C<4>,2|H<1>,4|C<3>}	122.9780	0.686	2	122.7952	0.403	6	122.7952	0.403	6	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[3x6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]C)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]C)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]C){1|Ir<6>,1|C<4>,1|H<1>,4|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]C){1|Ir<6>,1|C<4>,1|H<1>,4|C<3>}	122.4510	0.115	2	122.7952	0.403	6	122.7952	0.403	6	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[3x6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]C)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]C)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]C){1|Pt<4>,1|C<4>,1|H<1>,4|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<4>,5|C<3>}	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]C){1|Pt<4>,1|C<4>,1|H<1>,4|C<3>}	122.9565	1.085	2	122.7952	0.403	6	122.7952	0.403	6	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[6]N[5])	C[6a,6a](C[5,6a]C[5,6a]N[5])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]O[6a]O)(C[5]N[5]C)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[6]N[5]){1|Pd<4>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[6a,6a](C[5,6a]C[5,6a]N[5])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]O[6a]O)(C[5]N[5]C){1|Pd<4>,3|C<3>}	121.9330	0.000	1	121.9330	0.000	1	122.7625	1.376	2	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]N[5]H)	C[6a,6a](C[5,6a]C[5,6a]N[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]N[5]H){1|Zn<4>,3|C<3>,3|H<1>}	C[6a,6a](C[5,6a]C[5,6a]N[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Zn<4>,2|C<3>,2|H<1>}	123.5920	0.000	1	123.5920	0.000	1	122.7625	1.376	2	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:N[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6,6a]N[5])(N[5]C[5]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6,6a]N[5])(N[5]C[5]H){1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){2|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5]H){1|N<3>,2|H<1>,4|C<3>}	123.2360	0.000	1	123.2360	0.000	1	123.2360	0.000	1	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]C)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]C)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]C){1|Ir<6>,1|C<4>,1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]C){1|Ir<6>,1|C<4>,1|H<1>,4|C<3>}	121.9855	0.664	4	121.9855	0.441	4	122.3807	2.182	37	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]H){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]H){2|H<1>,5|C<3>}	122.8978	0.142	4	122.8978	0.020	4	122.3807	2.182	37	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]H){1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){2|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]H){1|N<3>,2|H<1>,4|C<3>}	122.9980	0.000	1	122.8110	0.070	2	122.3807	2.182	37	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]H){1|N<3>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]H){1|N<2>,2|H<1>,4|C<3>}	122.6240	0.000	1	122.8110	0.070	2	122.3807	2.182	37	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]Ir)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[6a]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]Ir){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|Ir<6>,1|N<3>,2|H<1>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[6a]C[5]){1|Ir<6>,1|H<1>,7|C<3>}	120.6536	0.579	12	120.6536	0.335	12	122.3807	2.182	37	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[6a]C[5])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]Ir)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[6a]C[5]){1|Ir<6>,1|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]Ir){1|H<1>,6|C<3>}	123.9633	0.678	12	123.9633	0.459	12	122.3807	2.182	37	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[6a]C[5])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[6a]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[6a]C[5]){1|Rh<6>,1|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[6a]C[5]){1|Rh<6>,1|H<1>,7|C<3>}	122.6960	0.423	2	122.6960	0.179	2	122.3807	2.182	37	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]P[5,6]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]P[5,6]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]P[5,6]H){2|H<1>,2|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|N<3>,1|P<4>,3|C<3>,3|H<1>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]P[5,6]H){2|H<1>,2|N<2>,4|C<3>}	122.1350	0.000	1	122.1350	0.000	1	122.3807	2.182	37	121.1072	3.846	185	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a,6a]C[6a,6a]2){1|C<4>,1|H<1>,8|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|C<4>,1|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H){1|H<1>,8|C<3>}	119.7380	0.000	1	119.7380	0.000	1	119.8737	0.046	3	120.7936	2.087	78	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a,6a]C[6a,6a]2){2|H<1>,8|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[5,6a]C[5,6a]2){1|C<4>,2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H){1|H<1>,8|C<3>}	119.9415	0.254	2	119.9415	0.064	2	119.8737	0.046	3	120.7936	2.087	78	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]2)(C[5,5]C[5,6a]3)	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a]){2|H<1>,8|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]2)(C[5,5]C[5,6a]3){11|C<3>}	122.2940	0.000	1	122.2940	0.000	1	122.2940	0.000	1	120.7936	2.087	78	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]CH)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5]){1|C<4>,2|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]CH){1|H<1>,6|C<3>}	119.2130	0.458	2	119.2130	0.210	2	119.4444	0.221	8	120.7936	2.087	78	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5]){1|C<4>,2|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5]H){2|H<1>,8|C<3>}	119.6898	0.509	4	119.6898	0.259	4	119.4444	0.221	8	120.7936	2.087	78	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]HH)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5]){3|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]HH){1|H<1>,6|C<3>}	119.1850	0.281	2	119.1850	0.079	2	119.4444	0.221	8	120.7936	2.087	78	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a,6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5,5,6]-4:	C[5,6a](C[5,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5,6]O)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5,5,6]C[5,5,6]2H)	C[5,6a](C[5,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5,6]O){2|C<4>,3|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5,5,6]C[5,5,6]2H){1|O<1>,3|C<4>,3|H<1>,4|C<3>}	122.9280	0.000	1	122.9280	0.000	1	122.9280	0.000	1	120.7936	2.087	78	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a,6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5,6]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[5]N[5,6]O)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5,6]N[5,6]C[6]O)	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[5]N[5,6]O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5,6]N[5,6]C[6]O){1|H<1>,2|C<4>,2|O<1>,4|C<3>}	121.9510	0.000	1	121.9510	0.000	1	121.9510	0.000	1	120.7936	2.087	78	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5,6]-3:C[5,6a]-3:	C[3x6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:B[5]-4:	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[6a]C[6a,6a]H)(B[5]N[5,6]CC)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5]){2|C<4>,3|H<1>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H){1|B<4>,1|H<1>,1|N<3>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[6a]C[6a,6a]H)(B[5]N[5,6]CC){5|C<3>}	122.0540	0.000	1	122.0540	0.000	1	122.0540	0.000	1	120.7936	2.087	78	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[3x6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6,6a]C[5])	C[6a,6a](C[3x6a]C[6,6a,6a]C[6a,6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6,6a]C[6,6a,6a]C[6])(C[5]C[5,6a]CO)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6,6a]C[5]){1|C<2>,1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6a,6a](C[3x6a]C[6,6a,6a]C[6a,6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6,6a]C[6,6a,6a]C[6])(C[5]C[5,6a]CO){1|C<4>,2|H<1>,5|C<3>}	119.9560	0.000	1	119.9560	0.000	1	119.9560	0.000	1	120.7936	2.087	78	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[5,6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]HH)	C[5,6a](C[6a,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5]){1|C<4>,3|H<1>,6|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	C[5,6a](C[6a,6a]C[5,6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]HH){1|H<1>,6|C<3>}	120.1900	0.000	1	121.5607	0.332	9	121.5607	0.332	9	120.7936	2.087	78	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[5,6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]HH)	C[5,6a](C[6a,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5]){4|H<1>,6|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	C[5,6a](C[6a,6a]C[5,6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]HH){1|H<1>,6|C<3>}	121.7320	0.278	8	121.5607	0.332	9	121.5607	0.332	9	120.7936	2.087	78	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5a,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]HH)	C[5,6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5]){4|H<1>,6|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	C[5,6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]HH){1|H<1>,6|C<3>}	120.9960	0.628	2	120.9960	0.394	2	120.9960	0.394	2	120.7936	2.087	78	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:P[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]P[5])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(P[5]C[5,6a]C[6a]O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]P[5]){1|O<1>,2|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|P<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(P[5]C[5,6a]C[6a]O){1|H<1>,8|C<3>}	119.6560	0.000	1	119.6560	0.000	1	119.6560	0.000	1	120.7936	2.087	78	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6,6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a]-3:Si[5]-4:	C[5,6a](C[6a,6a]C[6,6a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a,6a]C[6,6a]2)(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6,6a]C[6a])(Si[5]C[5,6a]CC)	C[5,6a](C[6a,6a]C[6,6a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5]){1|H<1>,2|C<4>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a,6a]C[6,6a]2)(C[5,6a]C[5,6a]2){2|Si<4>,1|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6,6a]C[6a])(Si[5]C[5,6a]CC){7|C<3>}	119.0300	0.458	2	119.0300	0.210	2	119.0300	0.210	2	120.7936	2.087	78	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6,6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[6,6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]O)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6,6a]H)(C[5]C[5]CO)	C[5,6a](C[6a,6a]C[6,6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]O){1|H<1>,4|C<3>,4|O<2>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]O){1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6,6a]H)(C[5]C[5]CO){1|N<3>,1|O<1>,2|C<3>,2|O<2>}	118.9645	0.456	2	118.9645	0.208	2	119.1110	0.168	3	120.7936	2.087	78	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6,6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[6,6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]O)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6,6a]H)(C[5]C[5]OO)	C[5,6a](C[6a,6a]C[6,6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]O){1|H<1>,4|C<3>,4|O<2>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]O){1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6,6a]H)(C[5]C[5]OO){1|N<3>,1|O<1>,1|O<2>,3|C<3>}	119.4040	0.000	1	119.4040	0.000	1	119.1110	0.168	3	120.7936	2.087	78	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]2)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]2){2|C<4>,4|H<1>,5|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,2|H<1>,3|C<3>}	120.5940	0.000	1	120.5940	0.000	1	120.4091	1.808	30	120.7936	2.087	78	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]2)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]2){1|C<4>,5|C<3>,5|H<1>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|H<1>,3|C<3>}	119.1580	0.000	1	119.4555	0.575	13	120.4091	1.808	30	120.7936	2.087	78	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]2)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]2){2|C<4>,4|C<3>,5|H<1>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|H<1>,3|C<3>}	119.4653	0.866	10	119.4555	0.575	13	120.4091	1.808	30	120.7936	2.087	78	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]2)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]2){5|H<1>,6|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|H<1>,4|C<3>}	119.5550	0.202	2	119.4555	0.575	13	120.4091	1.808	30	120.7936	2.087	78	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]C[6])	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]C[6]){1|C<4>,5|C<3>,5|H<1>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|H<1>,3|C<3>}	119.5070	0.467	2	119.5660	0.119	3	120.4091	1.808	30	120.7936	2.087	78	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]C[6])	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]C[6]){1|O<2>,5|C<3>,5|H<1>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<2>,2|H<1>,3|C<3>}	119.6840	0.000	1	119.5660	0.119	3	120.4091	1.808	30	120.7936	2.087	78	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]H)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]H){1|C<4>,3|C<3>,4|H<1>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	121.0790	0.000	1	121.0790	0.000	1	120.4091	1.808	30	120.7936	2.087	78	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]N)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]N){3|C<3>,5|H<1>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<3>,2|C<3>,2|H<1>}	120.9610	0.000	1	120.9610	0.000	1	120.4091	1.808	30	120.7936	2.087	78	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]O)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]O){3|C<3>,6|H<1>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|O<1>,2|C<3>,2|H<1>}	121.0945	0.059	2	121.0945	0.003	2	120.4091	1.808	30	120.7936	2.087	78	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]O)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]O){1|O<2>,3|C<3>,5|H<1>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|O<1>,2|C<3>,3|H<1>}	121.4910	0.000	1	121.4910	0.000	1	120.4091	1.808	30	120.7936	2.087	78	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|C<4>,3|C<3>,4|H<1>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	121.9250	0.000	1	121.9250	0.000	1	120.4091	1.808	30	120.7936	2.087	78	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]Si)(C[5]N[5]HH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|Si<4>,1|S<4>,3|C<3>,3|H<1>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]Si)(C[5]N[5]HH){1|O<1>,1|O<2>,1|S<4>,2|C<3>}	121.6400	0.000	1	121.6400	0.000	1	120.4091	1.808	30	120.7936	2.087	78	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(C[5]N[5]HH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|Cl<1>,1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(C[5]N[5]HH){1|O<1>,5|C<3>}	119.1400	0.000	1	119.1400	0.000	1	120.4091	1.808	30	120.7936	2.087	78	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(C[5]N[5]HO)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|N<2>,1|O<2>,2|H<1>,4|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(C[5]N[5]HO){1|O<1>,5|C<3>}	120.5890	0.000	1	120.5890	0.000	1	120.4091	1.808	30	120.7936	2.087	78	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]O[5]O)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]O[5]O){3|H<1>,4|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH){1|H<1>,1|O<1>,2|C<3>}	123.5200	0.000	1	123.5200	0.000	1	120.4091	1.808	30	120.7936	2.087	78	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]O[5]O)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N)(C[5]O[5]HH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]O[5]O){1|N<3>,3|C<3>,3|H<1>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N)(C[5]O[5]HH){1|C<4>,1|O<1>,2|C<3>}	122.2730	0.000	1	122.2730	0.000	1	120.4091	1.808	30	120.7936	2.087	78	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]O[5]O)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N)(C[5]O[5]HH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]O[5]O){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N)(C[5]O[5]HH){1|C<4>,1|O<1>,2|C<3>}	122.5770	0.000	1	122.5770	0.000	1	120.4091	1.808	30	120.7936	2.087	78	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]O[5]O)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(C[5]O[5]HH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]O[5]O){1|N<2>,3|C<3>,3|H<1>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(C[5]O[5]HH){1|O<1>,4|C<3>}	122.6760	0.000	1	122.6760	0.000	1	120.4091	1.808	30	120.7936	2.087	78	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6,6a]C[5])(C[5]N[5]O)	C[6a,6a](C[6a,6a]C[5,6,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[5,6a]C[6a,6a]C[5])(C[5]N[5]HH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6,6a]C[5])(C[5]N[5]O){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]C[5,6,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[5,6a]C[6a,6a]C[5])(C[5]N[5]HH){1|C<4>,1|O<1>,1|O<2>,1|S<4>,4|C<3>}	122.7837	0.376	3	122.7837	0.142	3	122.7837	0.142	3	120.7936	2.087	78	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]C[5]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]C[5]HH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]C[5]H){1|C<4>,3|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]C[5]HH){1|C<4>,2|H<1>,4|C<3>}	122.2460	0.000	1	122.2460	0.000	1	122.2460	0.000	1	120.7936	2.087	78	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:S[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]S[5])(C[5]N[5]O)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(S[5]N[5]OO)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]S[5])(C[5]N[5]O){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|F<1>,1|H<1>,1|N<3>,1|O<1>,1|S<4>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(S[5]N[5]OO){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	120.3040	0.000	1	120.2717	0.007	3	120.2717	0.007	3	120.7936	2.087	78	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:S[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]S[5])(C[5]N[5]O)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(S[5]N[5]OO)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]S[5])(C[5]N[5]O){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|S<4>,2|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(S[5]N[5]OO){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	120.2555	0.115	2	120.2717	0.007	3	120.2717	0.007	3	120.7936	2.087	78	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]C)	C[6a,6a](C[5,6a]C[5,6a]N[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]C){4|C<3>,5|H<1>}	C[6a,6a](C[5,6a]C[5,6a]N[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){3|H<1>,5|C<3>}	123.1655	0.021	2	123.1655	0.000	2	122.8461	0.119	8	120.7936	2.087	78	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]S)	C[6a,6a](C[5,6a]C[5,6a]N[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]S){4|C<3>,5|H<1>}	C[6a,6a](C[5,6a]C[5,6a]N[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	122.5700	0.000	1	122.5795	0.000	2	122.8461	0.119	8	120.7936	2.087	78	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]S)	C[6a,6a](C[5,6a]C[5,6a]N[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]S){4|C<3>,5|H<1>}	C[6a,6a](C[5,6a]C[5,6a]N[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|S<4>,2|H<1>,5|C<3>}	122.5890	0.000	1	122.5795	0.000	2	122.8461	0.119	8	120.7936	2.087	78	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]S)	C[6a,6a](C[5,6a]C[5,6a]N[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]S){1|C<4>,3|C<3>,5|H<1>}	C[6a,6a](C[5,6a]C[5,6a]N[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|S<4>,2|H<1>,3|C<3>}	122.5250	0.000	1	122.5250	0.000	1	122.8461	0.119	8	120.7936	2.087	78	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]S)	C[6a,6a](C[5,6a]C[5,6a]N[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]S){1|C<4>,3|C<3>,5|H<1>}	C[6a,6a](C[5,6a]C[5,6a]N[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	122.7275	0.385	2	122.9180	0.183	3	122.8461	0.119	8	120.7936	2.087	78	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]S)	C[6a,6a](C[5,6a]C[5,6a]N[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]S){4|C<3>,5|H<1>}	C[6a,6a](C[5,6a]C[5,6a]N[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|S<4>,2|H<1>,3|C<3>}	123.2990	0.000	1	122.9180	0.183	3	122.8461	0.119	8	120.7936	2.087	78	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:2:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:O[6a]-2:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]O[6a]C[5])	C[6a,6a](C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]CC)(O[6a]C[6a])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]O[6a]C[5]){2|C<4>,2|H<1>,5|C<3>}	C[6a,6a](C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]CC)(O[6a]C[6a]){1|O<1>,4|C<3>}	119.2600	0.000	1	119.2600	0.000	1	119.2600	0.000	1	120.2643	0.797	3	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:2:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:O[6a]-2:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]O[6a]C[5])(C[5]O[5]O)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5]O[5]CC)(O[6a]C[6a])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]O[6a]C[5])(C[5]O[5]O){1|H<1>,2|C<4>,3|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>,2|O<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5]O[5]CC)(O[6a]C[6a]){2|C<3>,2|O<1>}	120.9680	0.000	1	120.9680	0.000	1	120.7665	0.081	2	120.2643	0.797	3	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:2:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:O[6a]-2:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]O[6a]C[5])(C[5]O[5]O)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5]O[5]HH)(O[6a]C[6a])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]O[6a]C[5])(C[5]O[5]O){3|C<3>,3|H<1>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>,2|O<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5]O[5]HH)(O[6a]C[6a]){2|C<3>,2|O<1>}	120.5650	0.000	1	120.5650	0.000	1	120.7665	0.081	2	120.2643	0.797	3	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]Si[5])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]Si[5])(C[6a,6a]C[6a,6a]2){1|H<1>,2|C<4>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2){1|Si<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	117.4700	0.269	2	117.4700	0.072	2	117.4700	0.072	2	119.2233	1.735	44	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[6a,6a](C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5]){1|S<2>,3|H<1>,6|C<3>}	C[6a,6a](C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){1|H<1>,6|C<3>}	118.9830	0.000	1	118.9830	0.000	1	118.9830	0.000	1	119.2233	1.735	44	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]P[5])	C[6a,6a](C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(P[5]C[5,6a]CO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]P[5]){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[6a,6a](C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|P<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(P[5]C[5,6a]CO)(C[6a]C[6a]H){1|H<1>,4|C<3>}	118.4654	0.577	7	118.4654	0.333	7	118.5384	0.225	11	119.2233	1.735	44	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]P[5])	C[6a,6a](C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(P[5]C[5,6a]C[4]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]P[5]){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[6a,6a](C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|P<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(P[5]C[5,6a]C[4]O)(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	118.6970	0.318	2	118.6970	0.101	2	118.5384	0.225	11	119.2233	1.735	44	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]P[5])	C[6a,6a](C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(P[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]P[5]){1|O<1>,2|H<1>,7|C<3>}	C[6a,6a](C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|P<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(P[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){1|H<1>,6|C<3>}	118.6350	0.206	2	118.6350	0.043	2	118.5384	0.225	11	119.2233	1.735	44	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5])	C[6a,6a](C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5]){2|H<1>,2|O<1>,6|C<3>}	C[6a,6a](C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|S<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H){1|H<1>,4|C<3>}	117.6970	0.000	1	117.6970	0.000	1	117.6970	0.000	1	119.2233	1.735	44	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]Si[5])	C[6a,6a](C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(Si[5]C[5,6a]OO)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]Si[5]){1|H<1>,2|O<2>,7|C<3>}	C[6a,6a](C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|Si<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(Si[5]C[5,6a]OO)(C[6a]C[6a]2){1|H<1>,6|C<3>}	120.3840	0.133	2	120.3840	0.018	2	120.3840	0.018	2	119.2233	1.735	44	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5]){1|H<1>,9|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2){1|C<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,8|C<3>}	118.2015	0.347	2	118.2015	0.121	2	117.7855	0.179	6	119.2233	1.735	44	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5]){2|H<1>,8|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2){1|C<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){1|H<1>,6|C<3>}	117.5775	0.291	4	117.5775	0.084	4	117.7855	0.179	6	119.2233	1.735	44	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[6a,6a]-3:C[5,5]-3:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]C[5])	C[6a,6a](C[5,6a]C[5,6a]C[5,5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]C[5]){1|C<4>,4|H<1>,5|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5,5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	118.9470	0.000	1	118.9470	0.000	1	119.2675	0.205	2	119.2233	1.735	44	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[6a,6a]-3:C[5,5]-3:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]C[5])	C[6a,6a](C[5,6a]C[5,6a]C[5,5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[5]C[5,5]SiH)(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]C[5]){1|Si<4>,1|C<4>,3|H<1>,5|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5,5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[5]C[5,5]SiH)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	119.5880	0.000	1	119.5880	0.000	1	119.2675	0.205	2	119.2233	1.735	44	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[6a,6a]-3:C[5,5a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])	C[6a,6a](C[5,6a]C[5,5a]C[5,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,5a])(C[5]C[5,5a]HO)(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5]){1|N<2>,1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6a,6a](C[5,6a]C[5,5a]C[5,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,5a])(C[5]C[5,5a]HO)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	120.0860	0.000	1	120.0860	0.000	1	120.3792	0.050	5	119.2233	1.735	44	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[6a,6a]-3:C[5,5a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])	C[6a,6a](C[5,6a]C[5,5a]C[5,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,5a])(C[5]C[5,5a]HS)(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5]){2|S<2>,4|C<3>,4|H<1>}	C[6a,6a](C[5,6a]C[5,5a]C[5,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,5a])(C[5]C[5,5a]HS)(C[6a]C[6a]H){1|H<1>,1|S<2>,3|C<3>}	120.4525	0.175	4	120.4525	0.031	4	120.3792	0.050	5	119.2233	1.735	44	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[3x6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(P[5]C[5,6a]C[6a]O)(C[6a]C[6a,6a]H)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5]){1|O<1>,3|H<1>,6|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|H<1>,1|P<4>,6|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(P[5]C[5,6a]C[6a]O)(C[6a]C[6a,6a]H){7|C<3>}	118.5010	0.000	1	118.5010	0.000	1	118.5010	0.000	1	119.2233	1.735	44	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[3x6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(Si[5]C[5,6a]CC)(C[6a]C[6a,6a]H)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5]){2|C<4>,3|H<1>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|Si<4>,1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(Si[5]C[5,6a]CC)(C[6a]C[6a,6a]H){5|C<3>}	119.5860	0.000	1	119.5860	0.000	1	119.5860	0.000	1	119.2233	1.735	44	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]S[5])	C[6a,6a](C[5,6a]C[5,6a]2)2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]S[5]){1|H<1>,2|O<1>,7|C<3>}	C[6a,6a](C[5,6a]C[5,6a]2)2(C[6a,6a]C[6a]2){2|H<1>,2|S<4>,6|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H){1|H<1>,4|C<3>}	117.3040	0.000	1	117.3040	0.000	1	117.3040	0.000	1	119.2233	1.735	44	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])	C[6a,6a](C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a]2)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a]){2|C<4>,2|H<1>,6|C<3>}	C[6a,6a](C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a]2){1|O<2>,2|C<4>,4|H<1>,6|C<3>}	120.9130	0.000	1	120.9130	0.000	1	120.9130	0.000	1	119.2233	1.735	44	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])	C[6a,6a](C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5]){1|C<4>,3|H<1>,6|C<3>}	C[6a,6a](C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]2){1|C<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,4|C<3>}	119.2630	0.000	1	119.2630	0.000	1	119.2630	0.000	1	119.2233	1.735	44	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]CH)(C[6a]N[6a]O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]CH)(C[6a]N[6a]O){1|H<1>,4|C<3>}	120.6395	0.288	2	120.6395	0.083	2	120.0443	0.678	4	119.2233	1.735	44	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a]H)(C[6a]N[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5]){1|N<2>,4|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a]H)(C[6a]N[6a]H){6|C<3>}	118.9330	0.000	1	118.9330	0.000	1	120.0443	0.678	4	119.2233	1.735	44	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]CC)(C[6a]O[6a]O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5]){1|O<1>,1|O<2>,2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]CC)(C[6a]O[6a]O){4|C<3>}	119.9650	0.000	1	119.9650	0.000	1	120.0443	0.678	4	119.2233	1.735	44	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5,6]C[5,6]O[6]C)(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5,6]C[5,6]O[6]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	120.5760	0.000	1	120.5760	0.000	1	120.5760	0.000	1	119.2233	1.735	44	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5]C[6a]N[5]O)(C[6a]N[6a]N)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,3|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5]C[6a]N[5]O)(C[6a]N[6a]N){1|C<4>,1|O<1>,4|C<3>}	121.1245	0.224	2	121.1245	0.050	2	121.1245	0.050	2	119.2233	1.735	44	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[6a,6a]-3:C[5,6a]-3:N[5,5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])	C[6a,6a](C[5,6a]C[5,6a]N[5,5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]N[5,5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5]){1|N<2>,5|C<3>,6|H<1>}	C[6a,6a](C[5,6a]C[5,6a]N[5,5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a,6a]N[5,5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	121.6530	0.000	1	121.6530	0.000	1	121.6530	0.000	1	119.2233	1.735	44	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]S)	C[6a,6a](C[5,6a]C[5,6a]N[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]S){4|C<3>,5|H<1>}	C[6a,6a](C[5,6a]C[5,6a]N[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|S<4>,3|H<1>,4|C<3>}	122.1510	0.000	1	122.1510	0.000	1	122.1510	0.000	1	119.2233	1.735	44	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	4:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])	C[6a,6a](C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a]){1|O<2>,2|H<1>,7|C<3>}	C[6a,6a](C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,7|C<3>}	118.0740	0.000	1	118.0740	0.000	1	118.0740	0.000	1	118.0740	0.000	1	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:2:	3:2:2:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6a,6a]-3:N[6a]-2:	C[5,6a]-3:N[6a]-2:O[5]-2:	C[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]N[6a]O[5])(C[5]C[5]HH)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[5,6a](C[5,6a]C[6a,6a]C[5])(N[6a]C[6a])(O[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]N[6a]O[5])(C[5]C[5]HH){2|H<1>,3|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(N[6a]C[6a])(O[5]C[5]){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	117.3710	0.000	1	117.3710	0.000	1	117.3710	0.000	1	117.5590	0.071	2	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:2:	3:2:2:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6a,6a]-3:N[6a]-2:	C[5,6a]-3:N[6a]-2:S[5]-2:	C[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]N[6a]S[5])(C[5]C[5]HH)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[5,6a](C[5,6a]C[6a,6a]C[5])(N[6a]C[6a])(S[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]N[6a]S[5])(C[5]C[5]HH){2|H<1>,3|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,1|S<2>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(N[6a]C[6a])(S[5]C[5]){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	117.7470	0.000	1	117.7470	0.000	1	117.7470	0.000	1	117.5590	0.071	2	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:2:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6a,6a]-3:O[6a]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[6a,6a]C[6a,6a]O[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]CC)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(O[6a]C[6a])	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]O[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]CC){1|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(O[6a]C[6a]){1|H<1>,1|O<1>,2|C<3>,2|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	116.1295	0.182	2	116.1295	0.033	2	117.1653	1.531	4	117.1653	1.531	4	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:2:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6a,6a]-3:O[6a]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[6a,6a]C[6a,6a]O[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]HH)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(O[6a]C[6a])	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]2)(O[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]O[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]HH){2|H<1>,4|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(O[6a]C[6a]){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	117.8340	0.000	1	117.8340	0.000	1	117.1653	1.531	4	117.1653	1.531	4	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:2:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6a,6a]-3:O[6a]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[6a,6a]C[6a,6a]O[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]HH)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(O[6a]C[6a])	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]O[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]HH){1|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(O[6a]C[6a]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	118.5680	0.000	1	118.5680	0.000	1	117.1653	1.531	4	117.1653	1.531	4	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:2:2:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:O[5]-2:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[6a]O[5])(C[5]C[5]HH)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(N[6a]C[6a])(O[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[6a]O[5])(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,4|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(N[6a]C[6a])(O[5]C[5]){1|N<3>,2|C<3>,4|H<1>}	117.3730	0.000	1	117.3730	0.000	1	117.3730	0.000	1	117.3730	0.000	1	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:2:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[3x6a]-3:C[6a]-3:	C[5,6a]-3:O[6a]-2:C[5]-3:	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]O[6a]C[5])(C[5]O[5]CH)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[6a,6a]C[5])(O[6a]C[6a,6a])(C[5]O[5]O)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]O[6a]C[5])(C[5]O[5]CH){1|O<1>,1|O<2>,3|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]O){1|C<4>,1|N<2>,2|H<1>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(O[6a]C[6a,6a])(C[5]O[5]O){1|C<4>,1|H<1>,3|C<3>}	120.2940	0.000	1	120.2940	0.000	1	120.2590	0.002	2	120.0347	0.152	3	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:2:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[3x6a]-3:C[6a]-3:	C[5,6a]-3:O[6a]-2:C[5]-3:	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]O[6a]C[5])(C[5]O[5]HH)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[6a,6a]C[5])(O[6a]C[6a,6a])(C[5]O[5]O)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]O[6a]C[5])(C[5]O[5]HH){1|O<1>,1|O<2>,3|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]O){1|N<2>,2|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(O[6a]C[6a,6a])(C[5]O[5]O){2|H<1>,3|C<3>}	120.2240	0.000	1	120.2240	0.000	1	120.2590	0.002	2	120.0347	0.152	3	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:2:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:O[6a]-2:C[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]O[6a]C[5])(C[5]C[5]CO)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[6a,6a]C[5])(O[6a]C[6a])(C[5]C[5]O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]O[6a]C[5])(C[5]C[5]CO){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>,3|O<2>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(O[6a]C[6a])(C[5]C[5]O){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	119.5860	0.000	1	119.5860	0.000	1	119.5860	0.000	1	120.0347	0.152	3	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:C[5,5]-4:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5,5]C[5]3)	C[6a,6a](C[5,6a]C[5,6a]C[5,5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5,5]C[5]3){2|C<4>,2|O<1>,3|C<3>,4|H<1>}	C[6a,6a](C[5,6a]C[5,6a]C[5,5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	119.6000	0.000	2	119.8450	0.080	4	119.8450	0.080	4	119.9011	0.876	28	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:C[5,5]-4:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5,5]C[5]3)	C[6a,6a](C[5,6a]C[5,6a]C[5,5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5,5]C[5]3){2|O<1>,4|H<1>,5|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5,5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	120.0900	0.000	2	119.8450	0.080	4	119.8450	0.080	4	119.9011	0.876	28	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:C[5,5]-4:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:O[5]-2:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]O[5])(C[5,5]C[5,5]O[5]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a,6a]C[6a,6a]C[6a])(O[5]C[5,5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]O[5])(C[5,5]C[5,5]O[5]H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a,6a]C[6a,6a]C[6a])(O[5]C[5,5]){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	120.8840	0.000	1	120.8840	0.000	1	120.8840	0.000	1	119.9011	0.876	28	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]CC)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]CC){2|H<1>,4|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|H<1>,2|C<4>,3|C<3>}	120.4500	0.000	1	120.4500	0.000	1	120.4500	0.000	1	119.9011	0.876	28	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5,6]HH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	120.6950	0.000	1	120.6950	0.000	1	119.8267	1.069	19	119.9011	0.876	28	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]CC)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]N[6a]O)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]CC){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]N[6a]O){1|H<1>,1|O<2>,3|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,2|H<1>,3|C<4>}	117.2610	0.198	2	117.2610	0.039	2	119.8267	1.069	19	119.9011	0.876	28	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]CH)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]CH){1|N<3>,3|C<3>,3|H<1>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|N<3>,3|C<3>,3|H<1>}	119.3900	0.000	1	119.3900	0.000	1	119.8267	1.069	19	119.9011	0.876	28	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]HH)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]HH){3|H<1>,4|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){3|C<3>,4|H<1>}	119.8610	0.000	1	119.8610	0.000	1	119.8267	1.069	19	119.9011	0.876	28	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]Br)(O[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H){1|Br<1>,1|N<3>,2|H<1>,5|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]Br)(O[5]C[5]){1|N<3>,3|C<3>,3|H<1>}	120.6975	0.406	4	120.6975	0.165	4	119.8267	1.069	19	119.9011	0.876	28	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H){1|N<3>,3|H<1>,5|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|N<3>,3|C<3>,3|H<1>}	120.0710	0.425	4	119.9450	0.158	10	119.8267	1.069	19	119.9011	0.876	28	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H){1|N<3>,3|H<1>,5|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|N<3>,3|C<3>,3|H<1>}	120.1550	0.000	1	119.9450	0.158	10	119.8267	1.069	19	119.9011	0.876	28	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H){1|N<3>,3|H<1>,5|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|N<3>,3|C<3>,3|H<1>}	119.7110	0.551	3	119.9450	0.158	10	119.8267	1.069	19	119.9011	0.876	28	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H){3|H<1>,6|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){3|H<1>,4|C<3>}	119.9390	0.055	2	119.9450	0.158	10	119.8267	1.069	19	119.9011	0.876	28	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]S[5])(C[5]C[5]HH)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]N[6a])	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(S[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]S[5])(C[5]C[5]HH){1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]N[6a]){1|C<4>,1|S<2>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(S[5]C[5]){4|C<3>,4|H<1>}	118.6900	0.000	1	118.6900	0.000	1	118.6900	0.000	1	119.9011	0.876	28	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]HH)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]HH){3|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){3|H<1>,4|C<3>}	120.0860	0.000	1	120.0860	0.000	1	120.0860	0.000	1	119.9011	0.876	28	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:N[5]-2:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(C[5]C[6a]C[5]C)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(N[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(C[5]C[6a]C[5]C){1|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(N[5]C[5]){1|C<4>,1|H<1>,6|C<3>}	121.0320	0.000	1	121.0320	0.000	1	121.0320	0.000	1	119.9011	0.876	28	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a,6a]-3:C[5,5]-4:	C[6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]2)(C[5,5]C[5,6a]3)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[5,6a]C[5,6a]C[5,5])	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]2)(C[5,5]C[5,6a]3){11|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[5,6a]C[5,6a]C[5,5]){2|H<1>,9|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a]){2|H<1>,8|C<3>}	120.4250	0.000	1	120.4250	0.000	1	120.4250	0.000	1	121.4189	1.956	87	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a,6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6,6a]C[6,6a]S[6])	C[5,6a](C[5,6a]C[5,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H){1|H<1>,1|S<2>,7|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|S<2>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6,6a]C[6,6a]S[6]){1|C<4>,1|S<2>,2|H<1>,5|C<3>}	122.0920	0.000	1	122.0920	0.000	1	122.2360	0.041	2	121.4189	1.956	87	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a,6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5])(C[6,6a]C[6,6a]S[6])	C[5,6a](C[5,6a]C[5,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H){1|H<1>,1|S<2>,7|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|S<2>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5])(C[6,6a]C[6,6a]S[6]){1|C<4>,1|H<1>,1|S<2>,6|C<3>}	122.3800	0.000	1	122.3800	0.000	1	122.2360	0.041	2	121.4189	1.956	87	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a,6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a,6a]C[6a,6a]2)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H){1|H<1>,8|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a,6a]C[6a,6a]2){1|C<4>,1|H<1>,8|C<3>}	121.4680	0.000	1	122.0210	0.231	3	122.0210	0.231	3	121.4189	1.956	87	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a,6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a,6a]C[6a,6a]2)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H){1|H<1>,8|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a,6a]C[6a,6a]2){2|H<1>,8|C<3>}	122.2975	0.049	2	122.0210	0.231	3	122.0210	0.231	3	121.4189	1.956	87	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a,6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]CH)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]CH){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5]){1|C<4>,2|H<1>,7|C<3>}	122.7225	0.459	2	122.7225	0.211	2	122.4769	0.215	7	121.4189	1.956	87	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a,6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5]H){2|H<1>,8|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5]){1|C<4>,2|H<1>,7|C<3>}	122.0880	0.363	3	122.0880	0.132	3	122.4769	0.215	7	121.4189	1.956	87	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a,6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]HH)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]HH){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){4|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5]){3|H<1>,7|C<3>}	122.8145	0.121	2	122.8145	0.015	2	122.4769	0.215	7	121.4189	1.956	87	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a,6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H){1|H<1>,1|N<3>,7|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5]){3|H<1>,7|C<3>}	122.2560	0.000	1	122.2560	0.000	1	122.2560	0.000	1	121.4189	1.956	87	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a,6a]-3:P[5]-4:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(P[5]C[5,6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]P[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(P[5]C[5,6a]C[6a]O){1|H<1>,8|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]P[5]){1|O<1>,2|H<1>,7|C<3>}	122.4960	0.000	1	122.4960	0.000	1	122.4960	0.000	1	121.4189	1.956	87	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[3,5]-4:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[3,5]C[3]2C[5])	C[6a,6a](C[5,6a]C[5,6a]C[3,5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[3,5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[3,5]C[3]2C[5]){1|C<4>,3|C<3>,7|H<1>}	C[6a,6a](C[5,6a]C[5,6a]C[3,5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[3,5])(C[6a]C[6a]H)(C[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	121.1070	0.000	1	121.1070	0.000	1	121.1070	0.000	1	121.4189	1.956	87	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5,5,6]-4:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5,5,6]C[5,5,6]2H)	C[6a,6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5,6]O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5,5,6]C[5,5,6]2H){1|O<1>,3|C<4>,3|H<1>,4|C<3>}	C[6a,6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5,6]O){2|C<4>,3|H<1>,4|C<3>}	120.1360	0.000	1	120.1360	0.000	1	120.1360	0.000	1	121.4189	1.956	87	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5,5]-4:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])	C[6a,6a](C[5,6a]C[5,6a]C[5,5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5]){2|H<1>,9|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5,5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	121.1150	0.000	1	121.1150	0.000	1	121.1150	0.000	1	121.4189	1.956	87	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5,6]-4:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5,6]N[5,6]C[6]O)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[5]N[5,6]O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5,6]N[5,6]C[6]O){1|H<1>,2|C<4>,2|O<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[5]N[5,6]O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	122.3480	0.000	1	122.3480	0.000	1	122.3480	0.000	1	121.4189	1.956	87	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[6a,6a]C[5,6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]HH)	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])	C[5,6a](C[6a,6a]C[5,6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]HH){1|H<1>,6|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[5,6a](C[6a,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5]){1|C<4>,3|H<1>,6|C<3>}	123.4470	0.000	1	123.5447	0.214	9	123.5447	0.214	9	121.4189	1.956	87	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[6a,6a]C[5,6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]HH)	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])	C[5,6a](C[6a,6a]C[5,6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]HH){1|H<1>,6|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[5,6a](C[6a,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5]){4|H<1>,6|C<3>}	123.5569	0.493	8	123.5447	0.214	9	123.5447	0.214	9	121.4189	1.956	87	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6,6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[6a,6a]C[6,6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]CO)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6,6a]H)(C[5]C[5]O)	C[5,6a](C[6a,6a]C[6,6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]CO){1|H<1>,1|O<1>,3|C<3>,3|O<2>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]O){1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6,6a]H)(C[5]C[5]O){1|N<3>,1|O<1>,2|O<2>,3|C<3>}	119.1250	0.000	1	119.1250	0.000	1	119.1250	0.000	1	121.4189	1.956	87	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){4|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	121.5880	0.223	2	121.5880	0.050	2	121.5880	0.050	2	121.4189	1.956	87	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:N[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,5a]N[6a])(C[5]C[5,5a]C[6a]H)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a,6a]C[5])(N[6a]C[6a]C)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,5a]N[6a])(C[5]C[5,5a]C[6a]H){1|C<4>,1|H<1>,1|S<2>,6|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a,6a]C[5])(N[6a]C[6a]C){1|H<1>,1|O<1>,5|C<3>}	120.3080	0.000	1	120.3080	0.000	1	120.3080	0.000	1	121.4189	1.956	87	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC){2|H<1>,5|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H){1|H<1>,3|C<4>,4|C<3>}	120.4270	0.000	1	120.4270	0.000	1	121.3931	0.445	15	121.4189	1.956	87	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H){2|H<1>,7|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){4|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	121.2570	0.416	7	121.2570	0.173	7	121.3931	0.445	15	121.4189	1.956	87	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]Sn)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H){1|Sn<4>,1|H<1>,7|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){4|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]Sn){3|H<1>,5|C<3>}	121.6560	0.000	1	121.6560	0.000	1	121.3931	0.445	15	121.4189	1.956	87	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]2)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O){1|H<1>,8|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]2){1|O<2>,2|H<1>,7|C<3>}	122.0830	0.000	1	122.0830	0.000	1	121.3931	0.445	15	121.4189	1.956	87	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]I)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O){1|H<1>,1|I<1>,7|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|F<1>,1|O<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]I){1|O<2>,2|H<1>,5|C<3>}	121.5740	0.000	1	122.0990	0.551	2	121.3931	0.445	15	121.4189	1.956	87	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]I)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O){1|H<1>,1|I<1>,7|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]I){1|O<2>,2|H<1>,5|C<3>}	122.6240	0.000	1	122.0990	0.551	2	121.3931	0.445	15	121.4189	1.956	87	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O){1|H<1>,1|N<2>,7|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a]){1|H<1>,1|O<2>,7|C<3>}	120.1010	0.000	1	120.1010	0.000	1	121.3931	0.445	15	121.4189	1.956	87	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]C)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){4|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]C){4|C<3>,4|H<1>}	121.8160	0.065	2	121.8160	0.004	2	121.3931	0.445	15	121.4189	1.956	87	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){4|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<4>,2|C<3>,3|H<1>}	121.2550	0.000	1	121.2550	0.000	1	121.1842	0.709	5	121.4189	1.956	87	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HN)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HN){1|C<4>,3|C<3>,3|H<1>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	122.0660	0.000	1	122.0660	0.000	1	121.1842	0.709	5	121.4189	1.956	87	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H){3|H<1>,6|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){4|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){3|C<3>,3|H<1>}	119.7900	0.000	1	119.7900	0.000	1	121.1842	0.709	5	121.4189	1.956	87	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H){1|O<1>,2|H<1>,6|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){2|H<1>,4|C<3>}	121.3250	0.000	1	121.3250	0.000	1	121.1842	0.709	5	121.4189	1.956	87	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]CO)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]CO){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|H<1>,2|O<2>,3|C<3>}	121.4850	0.000	1	121.4850	0.000	1	121.1842	0.709	5	121.4189	1.956	87	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]CC)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]F)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]F)(N[5]C[5]C)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]CC){1|C<4>,2|F<1>,4|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]F){1|N<3>,2|C<4>,3|C<3>,3|F<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]F)(N[5]C[5]C){1|F<1>,2|C<4>,3|C<3>}	119.8380	0.228	2	119.8380	0.052	2	120.1103	0.269	22	121.4189	1.956	87	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]CC)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]CC){1|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,2|C<4>,3|C<3>}	120.0670	0.402	13	119.9986	0.175	15	120.1103	0.269	22	121.4189	1.956	87	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]CC)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]CC){2|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,2|C<3>,3|C<4>}	119.5540	0.226	2	119.9986	0.175	15	120.1103	0.269	22	121.4189	1.956	87	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]FF)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]FF){1|O<1>,3|C<3>,3|H<1>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|H<1>,1|O<1>,2|C<3>,2|F<1>}	121.3670	0.000	1	121.3670	0.000	1	120.1103	0.269	22	121.4189	1.956	87	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]N)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H){1|N<3>,3|H<1>,6|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]N){3|H<1>,4|C<3>}	120.3180	0.705	3	120.3180	0.497	3	120.1103	0.269	22	121.4189	1.956	87	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H){1|S<4>,4|H<1>,5|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){3|C<3>,4|H<1>}	120.4510	0.000	1	120.4510	0.000	1	120.1103	0.269	22	121.4189	1.956	87	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5a,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]HH)	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])	C[5,6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]HH){1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[5,6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5]){4|H<1>,6|C<3>}	122.6090	1.013	2	122.6090	1.025	2	122.6090	1.025	2	121.4189	1.956	87	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5a,6a]-3:C[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5a,6a]C[5])(C[5]C[5]FF)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]C[5]2)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5a,6a]C[5])(C[5]C[5]FF){1|H<1>,2|F<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<4>,2|F<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]C[5]2){1|C<4>,1|O<2>,4|F<1>,5|C<3>}	121.8270	0.000	1	121.8270	0.000	1	121.8270	0.000	1	121.4189	1.956	87	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]C[5]HH)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]C[5]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]C[5]HH){1|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){4|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]C[5]H){1|C<4>,3|H<1>,4|C<3>}	121.2300	0.000	1	121.2300	0.000	1	121.2300	0.000	1	121.4189	1.956	87	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:P[5]-4:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]S)	C[6a,6a](C[5,6a]C[5,6a]P[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]S){2|H<1>,7|C<3>}	C[6a,6a](C[5,6a]C[5,6a]P[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|S<1>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]P[5])(C[6a]C[6a]H){1|S<1>,2|H<1>,5|C<3>}	121.2980	0.000	1	121.2980	0.000	1	121.2980	0.000	1	121.4189	1.956	87	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:P[5]-4:	C[6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[5,6a]C[5,6a]P[5])	C[5,6a](C[5,6a]C[6a,6a]P[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O){1|H<1>,2|C<4>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[5,6a]C[5,6a]P[5]){1|O<1>,2|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[6a,6a]P[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	120.7350	0.000	1	120.7350	0.000	1	120.7350	0.000	1	121.4189	1.956	87	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:S[5]-4:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(S[5]N[5]OO)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]S[5])(C[5]N[5]O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(S[5]N[5]OO){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]S[5])(C[5]N[5]O){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	124.5420	0.451	3	124.5420	0.204	3	124.5420	0.204	3	121.4189	1.956	87	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:Si[5]-4:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]C)	C[6a,6a](C[5,6a]C[5,6a]Si[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]Si[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]C){2|H<1>,7|C<3>}	C[6a,6a](C[5,6a]C[5,6a]Si[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]Si[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	119.4995	0.024	4	119.4995	0.001	4	119.4995	0.001	4	121.4189	1.956	87	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a,6a]-3:C[5,6]-4:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[5,6]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]C)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]C){2|C<4>,4|C<3>,6|H<1>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H){2|H<1>,3|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]H){3|C<4>,4|C<3>,5|H<1>}	120.4960	0.000	1	120.4960	0.000	1	121.5340	2.155	2	121.2271	1.171	16	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a,6a]-3:C[5,6]-4:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[5,6]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]C)	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]H){3|C<4>,4|C<3>,5|H<1>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]C){2|C<4>,4|C<3>,6|H<1>}	122.5720	0.000	1	122.5720	0.000	1	121.5340	2.155	2	121.2271	1.171	16	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:C[5,5]-4:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,5]C[5]3)	C[6a,6a](C[5,6a]C[5,6a]C[5,5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,5]C[5]3){1|O<1>,2|C<4>,3|C<3>,8|H<1>}	C[6a,6a](C[5,6a]C[5,6a]C[5,5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,3|C<3>,3|H<1>}	119.9980	0.000	1	119.9980	0.000	1	119.9980	0.000	1	121.2271	1.171	16	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[3x6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){4|C<3>,5|H<1>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH){4|H<1>,5|C<3>}	120.7940	0.205	2	120.7940	0.042	2	120.7940	0.042	2	121.2271	1.171	16	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|C<2>,2|H<1>,6|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]2){2|C<4>,2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){2|H<1>,5|C<3>}	120.3810	0.000	1	120.3810	0.000	1	120.8790	0.826	7	121.2271	1.171	16	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|N<4>,3|C<3>,5|H<1>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<4>,2|C<3>,4|H<1>}	122.3950	0.000	1	122.3950	0.000	1	120.8790	0.826	7	121.2271	1.171	16	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]N[6a]C)(C[5]C[5]CH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]N[6a]C)(C[5]C[5]CH){3|C<3>,3|H<1>}	120.2680	0.000	1	120.2680	0.000	1	120.8790	0.826	7	121.2271	1.171	16	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH){2|C<3>,4|H<1>}	120.0210	0.000	1	120.2605	0.115	2	120.8790	0.826	7	121.2271	1.171	16	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|N<2>,4|C<3>,4|H<1>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH){3|C<3>,3|H<1>}	120.5000	0.000	1	120.2605	0.115	2	120.8790	0.826	7	121.2271	1.171	16	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a,6a]O)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N)(C[5]C[5]HH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a,6a]O){2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N)(C[5]C[5]HH){2|C<3>,5|H<1>}	121.9320	0.000	1	121.9320	0.000	1	120.8790	0.826	7	121.2271	1.171	16	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H){1|S<4>,5|C<3>,5|H<1>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|S<4>,3|C<3>,3|H<1>}	120.6560	0.000	1	120.6560	0.000	1	120.8790	0.826	7	121.2271	1.171	16	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:C[3x6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5,6a]C[6a]C[5])(C[5]O[5]HH)	C[6a,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[3x6a]C[6a,6a]2)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]HH)	C[5,6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5,6a]C[6a]C[5])(C[5]O[5]HH){3|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[3x6a]C[6a,6a]2){1|C<4>,1|O<2>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]HH){2|H<1>,3|C<3>}	121.8920	0.000	1	121.8920	0.000	1	121.8920	0.000	1	121.2271	1.171	16	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	C[6a,6a](C[6a,6a]C[6,6a]O[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6,6,6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]O[6a]O)(C[5]C[5]HH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[6a,6a](C[6a,6a]C[6,6a]O[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6,6,6a]H){2|C<3>,2|H<1>,4|C<4>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]O[6a]O)(C[5]C[5]HH){2|C<3>,4|H<1>}	121.3550	0.000	1	121.3550	0.000	1	121.3550	0.000	1	121.2271	1.171	16	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:P[5]-4:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)	C[6a,6a](C[5,6a]C[5,6a]P[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]P[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O){5|C<3>,6|H<1>}	C[6a,6a](C[5,6a]C[5,6a]P[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a,6a]P[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<1>,3|C<3>,3|H<1>}	121.7530	0.000	1	121.7530	0.000	1	121.7530	0.000	1	121.2271	1.171	16	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:S[5]-4:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(S[5]N[5]OO)	C[6a,6a](C[5,6a]C[5,6a]S[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CC)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(S[5]N[5]OO){1|C<4>,3|H<1>,4|C<3>}	C[6a,6a](C[5,6a]C[5,6a]S[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|O<1>,3|H<1>}	C[5,6a](C[5,6a]C[6a,6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CC){2|C<3>,2|H<1>,2|O<1>}	123.8270	0.000	1	123.8270	0.000	1	123.8270	0.000	1	121.2271	1.171	16	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:4:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5]C[6a]C[5]H)(C[6a]O[6a]O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5]C[6a]C[5]H)(C[6a]O[6a]O){3|H<1>,5|C<3>}	121.3540	0.194	2	121.3540	0.038	2	121.3540	0.038	2	121.3540	0.038	2	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:3:4:	3:3:3:	4:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5,6]-4:	C[6,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6a](C[6a,6a]C[6,6a,6a]C[6a])(C[5,6a]C[5,6,6]C[6,6a])(C[5,6]C[5,6]C[6]H)	C[6a,6a](C[6,6a,6a]C[6,6,6a]C[6,6a])(C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)	C[5,6a](C[5,6,6]C[6,6,6a]C[5,6]C[6])(C[5,6a]C[6a,6a]C[5,6])(C[6,6a]C[6,6,6a]O[6])	C[5,6a](C[6a,6a]C[6,6a,6a]C[6a])(C[5,6a]C[5,6,6]C[6,6a])(C[5,6]C[5,6]C[6]H){1|H<1>,1|O<1>,2|C<4>,2|O<2>,5|C<3>}	C[6a,6a](C[6,6a,6a]C[6,6,6a]C[6,6a])(C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C){2|H<1>,3|C<4>,4|C<3>}	C[5,6a](C[5,6,6]C[6,6,6a]C[5,6]C[6])(C[5,6a]C[6a,6a]C[5,6])(C[6,6a]C[6,6,6a]O[6]){2|C<4>,2|O<2>,4|H<1>,5|C<3>}	120.2150	0.605	2	120.2150	0.366	2	120.2150	0.366	2	120.2150	0.366	2	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:4:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[3x5]-4:C[5,6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:O[5]-2:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[3x5]C[3x5]C[5]O[5])(C[5,6a]C[6a,6a]O[5])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[3x5])(C[6a,6a]C[6a,6a]C[6a])(O[5]C[3x5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[3x5]C[3x5]C[5]O[5])(C[5,6a]C[6a,6a]O[5]){1|O<2>,3|C<4>,3|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[3x5])(C[6a,6a]C[6a,6a]C[6a])(O[5]C[3x5]){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	120.0580	0.000	1	120.0580	0.000	1	120.0580	0.000	1	119.7260	0.310	11	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:4:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5,5]-4:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5]C[3x5]C[5]H)(C[5,6a]C[6a]O[5])	C[6a,6a](C[5,6a]C[5,6a]C[5,5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a]C[6a]H)(O[5]C[3x5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5]C[3x5]C[5]H)(C[5,6a]C[6a]O[5]){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5,5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a]C[6a]H)(O[5]C[3x5]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	119.8230	0.000	1	119.8230	0.000	1	119.6393	0.341	9	119.7260	0.310	11	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:4:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5,5]-4:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]O[5])	C[6a,6a](C[5,6a]C[5,6a]C[5,5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]O[5]){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6a,6a](C[5,6a]C[5,6a]C[5,5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a]C[6a]H)(O[5]C[5,5]){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	119.1760	0.600	4	119.1760	0.361	4	119.6393	0.341	9	119.7260	0.310	11	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:4:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5,5]-4:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])	C[6a,6a](C[5,6a]C[5,6a]C[5,5])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5]){1|C<4>,2|C<3>,2|O<2>,5|H<1>}	C[6a,6a](C[5,6a]C[5,6a]C[5,5])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	119.9680	0.000	1	119.9680	0.000	1	119.6393	0.341	9	119.7260	0.310	11	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:4:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5,5]-4:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5]C[5,5]N[5,5]H)(C[5,6a]C[6a]O[5])	C[6a,6a](C[5,6a]C[5,6a]C[5,5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5]C[5,5]N[5,5]H)(C[5,6a]C[6a]O[5]){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5,5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a]C[6a]H)(O[5]C[5,5]){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	120.2000	0.000	1	120.2000	0.000	1	119.6393	0.341	9	119.7260	0.310	11	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:4:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5,5]-4:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]O[5])	C[6a,6a](C[5,6a]C[5,6a]C[5,5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]O[5]){1|O<1>,3|H<1>,6|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5,5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a]C[6a]H)(O[5]C[5]){1|H<1>,1|O<1>,4|C<3>}	120.0295	0.158	2	120.0295	0.025	2	119.6393	0.341	9	119.7260	0.310	11	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:4:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5,6]-4:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])	C[6a,6a](C[5,6a]C[5,6a]C[5,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5]){2|C<4>,3|C<3>,5|H<1>}	C[6a,6a](C[5,6a]C[5,6a]C[5,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)(O[5]C[5,6]){2|C<3>,2|C<4>,3|H<1>}	120.1740	0.000	1	120.1740	0.000	1	120.1740	0.000	1	119.7260	0.310	11	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:4:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,5,6]-4:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])	C[6a,6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a,6a])(C[5]C[5,5,6]C)(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5]){3|C<4>,4|C<3>,4|H<1>}	C[6a,6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a,6a])(C[5]C[5,5,6]C)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	121.3030	0.000	1	121.3030	0.000	1	121.3030	0.000	1	121.0597	0.367	3	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:4:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6]-4:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])	C[6a,6a](C[5,6a]C[5,6a]C[5,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5]){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6a,6a](C[5,6a]C[5,6a]C[5,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[5]C[5,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	120.9380	0.803	2	120.9380	0.645	2	120.9380	0.645	2	121.0597	0.367	3	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:4:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[3,5]-4:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[3,5]C[3,6]C[5]S[3])(C[5,6a]C[6a]C[5])	C[6a,6a](C[5,6a]C[5,6a]C[3,5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[3,5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[3,5]C[3,6]C[5]S[3])(C[5,6a]C[6a]C[5]){1|C<4>,5|C<3>,5|H<1>}	C[6a,6a](C[5,6a]C[5,6a]C[3,5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|S<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[3,5])(C[6a]C[6a]H)(C[5]C[5]HH){1|S<2>,2|C<3>,2|C<4>,2|H<1>}	120.4930	0.000	1	120.4930	0.000	1	120.4930	0.000	1	120.2870	0.055	3	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:4:3:	3:3:3:	3:3:4:	C[6a,6a]-3:Si[5,5]-4:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(Si[5,5]C[5,6a]O[5]2)(C[5,6a]C[6a]C[5])	C[6a,6a](C[5,6a]C[5,6a]Si[5,5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]Si[5,5])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(Si[5,5]C[5,6a]O[5]2)(C[5,6a]C[6a]C[5]){2|H<1>,3|C<4>,5|C<3>}	C[6a,6a](C[5,6a]C[5,6a]Si[5,5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a,6a]Si[5,5])(C[6a]C[6a]H)(C[5]O[5]CC){1|H<1>,1|O<2>,3|C<3>}	120.1840	0.214	2	120.1840	0.046	2	120.1840	0.046	2	120.2870	0.055	3	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:4:3:	3:3:3:	3:4:3:	C[6a,6a]-3:C[5,6]-4:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6]C[6a])	C[6a,6a](C[5,6a]C[5,6a]C[5,6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[5,6]C[5,6]N[6]C)(C[6a]N[6a]C)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6]C[6a]){1|N<2>,1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5,6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[5,6]C[5,6]N[6]C)(C[6a]N[6a]C){4|C<3>,4|H<1>}	120.3630	0.000	1	120.3630	0.000	1	120.3630	0.000	1	120.1680	0.056	3	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	3:4:3:	3:3:3:	3:4:3:	C[6a,6a]-3:C[5,6]-4:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]P[5])	C[6a,6a](C[5,6a]C[5,6a]C[5,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(P[5]C[5,6]C[6a]O)(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]P[5]){1|C<4>,1|O<1>,2|H<1>,7|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|P<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(P[5]C[5,6]C[6a]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	120.0705	0.234	2	120.0705	0.055	2	120.0705	0.055	2	120.1680	0.056	3	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	4:3:3:	3:3:3:	3:2:3:	C[4,5,6]-4:C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a](C[4,5,6]C[4,5,6]C[6,6a]C[4])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])	C[6a,6a](C[5,6a]C[4,5,6]C[5,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5,6]C[6a,6a])(O[5]C[4,5,6])(C[6a]C[6a]H)	C[5,6a](C[4,5,6]C[4,5,6]C[6,6a]C[4])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5]){1|C<4>,4|H<1>,6|C<3>}	C[6a,6a](C[5,6a]C[4,5,6]C[5,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[4,5,6]C[6a,6a])(O[5]C[4,5,6])(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	118.9630	0.000	1	118.9630	0.000	1	118.9630	0.000	1	118.9630	0.000	1	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	4:3:3:	3:3:3:	3:3:2:	C[5,5,6]-4:C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])	C[6a,6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a,6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5]){3|C<3>,4|C<4>,6|H<1>}	C[6a,6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a,6a])(C[6a]C[6a]H)(O[5]C[5,6]){2|C<3>,2|H<1>,3|C<4>}	118.8840	0.000	1	118.8840	0.000	1	118.8840	0.000	1	118.8840	0.000	1	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	4:3:3:	3:3:3:	3:3:3:	C[5,5]-4:C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[5]O[5])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])	C[6a,6a](C[5,6a]C[5,6a]C[5,5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5]O[5])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a]){2|C<4>,4|H<1>,5|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5,5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	121.1190	0.000	1	121.1190	0.000	1	121.1190	0.000	1	121.5768	0.625	5	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	4:3:3:	3:3:3:	3:3:3:	C[5,6]-4:C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5a]-3:C[6a]-3:	C[5,6a](C[5,6]C[6,6a]N[5,5a]C[6])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,5a]C[6a])	C[6a,6a](C[5,6a]C[5,6a]C[5,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[5,5a]N[5,5a]N[5a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]N[5,5a]C[6])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,5a]C[6a]){1|N<2>,2|H<1>,8|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[5,5a]N[5,5a]N[5a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	121.6060	0.000	1	121.6060	0.000	1	121.6060	0.000	1	121.5768	0.625	5	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	4:3:3:	3:3:3:	3:3:3:	C[5,6]-4:C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])	C[6a,6a](C[5,6a]C[5,6a]C[5,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a]){1|O<2>,2|H<1>,8|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]O){1|O<2>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H){1|O<2>,7|C<3>}	120.5010	0.000	1	120.5010	0.000	1	120.5010	0.000	1	121.5768	0.625	5	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6a]	4:3:3:	3:3:3:	3:3:3:	C[5,6]-4:C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[6,6a]C[6]N[5])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[6a,6a](C[5,6a]C[5,6a]C[5,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[5]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]C[6]N[5])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5]){3|H<1>,7|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[5]C[6a]N[5])(C[6a]C[6a]H){1|H<1>,6|C<3>}	122.3290	0.000	2	122.3290	0.000	2	122.3290	0.000	2	121.5768	0.625	5	121.0261	3.261	628	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:I[5,5]-3:	C[5,6a](C[5,5,6a]C[5,6a]I[5,5])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,5,6a](C[5,6a]C[6a]C[5])2(I[5,5]O[5]2)	C[5,6a](C[5,5,6a]C[5,6a]I[5,5])(C[6a]C[6a]H)(C[5]O[5]O){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|I<3>,1|O<1>,1|O<2>}	C[5,5,6a](C[5,6a]C[6a]C[5])2(I[5,5]O[5]2){1|C<3>,2|H<1>,2|O<1>}	117.0790	0.479	2	117.0790	0.230	2	117.0790	0.230	2	117.0790	0.230	2	116.8661	1.748	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5,6a]-3:	C[5,6a](C[5,5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5,6a]C[6a]N[5])	C[5,6a](C[5,5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,5,6a]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5,6a]C[6a]N[5]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	116.5475	0.120	2	116.5475	0.014	2	116.3900	0.044	4	116.9852	0.879	6	116.8661	1.748	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5,6a]-3:	C[5,6a](C[5,5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]N[5]C)(C[5,6a]C[6a]C[5])	C[5,6a](C[5,5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,5,6a]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]N[5]C)(C[5,6a]C[6a]C[5]){4|C<3>,4|H<1>}	116.2325	0.131	2	116.2325	0.017	2	116.3900	0.044	4	116.9852	0.879	6	116.8661	1.748	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5,6a]-3:	C[5,6a](C[5,5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5,6a]C[6a]N[5])	C[5,6a](C[5,5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5,6a]C[6a]N[5]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	118.1755	0.108	2	118.1755	0.012	2	118.1755	0.012	2	116.9852	0.879	6	116.8661	1.748	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,5,6a](C[5,5]C[5,6a]2C[6a])(C[5,6a]C[5,6a]C[6a])2	C[5,6a](C[5,5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,5,6a]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,5,6a](C[5,5]C[5,6a]2C[6a])(C[5,6a]C[5,6a]C[6a])2{2|H<1>,7|C<3>}	116.2632	0.761	26	116.2632	0.580	26	116.2632	0.580	26	116.3190	0.579	28	116.8661	1.748	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	Se[5,5]-4:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,5,6a]C[5,6a]Se[5,5])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,5,6a](Se[5,5]C[6a]O[5]2)(C[5,6a]C[6a]C[5])2	C[5,6a](C[5,5,6a]C[5,6a]Se[5,5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<4>,1|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,5,6a]C[5])(C[6a]C[6a]C)(H){1|Se<4>,1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[5,5,6a](Se[5,5]C[6a]O[5]2)(C[5,6a]C[6a]C[5])2{2|H<1>,2|O<1>,3|C<3>}	117.0445	0.142	2	117.0445	0.020	2	117.0445	0.020	2	116.3190	0.579	28	116.8661	1.748	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:I[5,5]-3:	C[5,6a](C[5,5,6a]C[5,6a]I[5,5])(C[6a]C[6a]H)(C[5]O[5]CC)	C[6a](C[5,6a]C[5,5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,5,6a](C[5,6a]C[6a]C[5])2(I[5,5]O[5]2)	C[5,6a](C[5,5,6a]C[5,6a]I[5,5])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6a](C[5,6a]C[5,5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|I<3>,1|O<2>,2|C<4>}	C[5,5,6a](C[5,6a]C[6a]C[5])2(I[5,5]O[5]2){1|C<3>,2|H<1>,4|C<4>}	116.3935	0.247	2	116.3935	0.061	2	116.3935	0.061	2	117.8038	1.875	5	116.8661	1.748	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:S[5,5]-3:	C[5,6a](C[5,5,6a]C[5,6a]S[5,5])(C[6a]C[6a]H)(C[5]O[5]CC)	C[6a](C[5,6a]C[5,5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,5,6a](C[5,6a]C[6a]C[5])2(S[5,5]O[5]2)	C[5,6a](C[5,5,6a]C[5,6a]S[5,5])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6a](C[5,6a]C[5,5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,1|S<3>,2|C<4>}	C[5,5,6a](C[5,6a]C[6a]C[5])2(S[5,5]O[5]2){1|C<3>,2|H<1>,4|C<4>}	119.4780	0.000	1	119.4780	0.000	1	119.4780	0.000	1	117.8038	1.875	5	116.8661	1.748	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:Se[5,5]-3:	C[5,6a](C[5,5,6a]C[5,6a]Se[5,5])(C[6a]C[6a]H)(C[5]O[5]CC)	C[6a](C[5,6a]C[5,5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,5,6a](C[5,6a]C[6a]C[5])2(Se[5,5]O[5]2)	C[5,6a](C[5,5,6a]C[5,6a]Se[5,5])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6a](C[5,6a]C[5,5,6a]C[5])(C[6a]C[6a]H)(H){1|Se<3>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,5,6a](C[5,6a]C[6a]C[5])2(Se[5,5]O[5]2){1|C<3>,2|H<1>,4|C<4>}	118.3770	0.037	2	118.3770	0.001	2	118.3770	0.001	2	117.8038	1.875	5	116.8661	1.748	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5,6a]	3:3:4:	3:3:1:	3:3:7:	C[5,5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:Nb[5,5]-7:	C[5,6a](C[5,5,6a]C[5,6a]Nb[5,5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[6a](C[5,6a]C[5,5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,5,6a](C[5,6a]C[6a]C[5])2(Nb[5,5]N[5]2Cl4)	C[5,6a](C[5,5,6a]C[5,6a]Nb[5,5])(C[6a]C[6a]H)(C[5]N[5]HH){4|Cl<1>,1|C<3>,1|H<1>,1|N<4>,3|C<4>}	C[6a](C[5,6a]C[5,5,6a]C[5])(C[6a]C[6a]H)(H){1|Nb<7>,1|C<3>,1|N<4>,3|H<1>}	C[5,5,6a](C[5,6a]C[6a]C[5])2(Nb[5,5]N[5]2Cl4){1|C<3>,4|C<4>,6|H<1>}	121.2935	0.435	2	121.2935	0.189	2	121.2935	0.189	2	121.2935	0.189	2	116.8661	1.748	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5,6a]-3:	C[5,6a](C[5,5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[6a](C[5,6a]C[5,5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]N[5]C)(C[5,6a]C[6a]C[5])	C[5,6a](C[5,5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]N[5]C)(C[5,6a]C[6a]C[5]){4|C<3>,4|H<1>}	117.0535	0.009	2	117.0535	0.000	2	117.0535	0.000	2	117.0535	0.000	2	116.8661	1.748	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,5,6a]C[5,5,6a]C[5,6a])(P[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6a]P[5])(C[6a]C[6a]N)(H)	C[5,5,6a](C[5,5,6a]C[5,6a]2)(C[5,6a]C[6a]P[5])2	C[5,6a](C[5,5,6a]C[5,5,6a]C[5,6a])(P[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){1|N<3>,1|P<4>,5|C<3>}	C[6a](C[5,6a]C[5,5,6a]P[5])(C[6a]C[6a]N)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,5,6a](C[5,5,6a]C[5,6a]2)(C[5,6a]C[6a]P[5])2{2|H<1>,2|O<1>,5|C<3>}	116.9955	0.448	2	116.9955	0.200	2	116.9955	0.200	2	116.9955	0.200	2	116.8661	1.748	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,5a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[5,6a]-3:	C[5,6a](C[5,5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,5a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,5a,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[5,6a]C[6a]C[5]){1|C<3>,2|C<4>,6|H<1>}	114.8630	0.000	2	114.8630	0.000	2	114.3470	0.285	8	114.3470	0.285	8	114.6210	0.925	9	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,5a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[5,6a]-3:	C[5,6a](C[5,5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,5a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5,5a]C[5a,6]C[5])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(C[5]C[5]HH){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,5a,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5,5a]C[5a,6]C[5])(C[5,6a]C[6a]C[5]){1|C<4>,3|C<3>,5|H<1>}	114.0030	0.558	4	114.1750	0.258	6	114.3470	0.285	8	114.3470	0.285	8	114.6210	0.925	9	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,5a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[5,6a]-3:	C[5,6a](C[5,5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,5a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5,5a]C[5a,6]C[5])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,5a,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5,5a]C[5a,6]C[5])(C[5,6a]C[6a]C[5]){1|C<3>,2|C<4>,6|H<1>}	114.5190	0.000	2	114.1750	0.258	6	114.3470	0.285	8	114.3470	0.285	8	114.6210	0.925	9	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5a,6a]	3:3:4:	3:3:4:	3:3:3:	C[5,5a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5,5a]-3:C[5,6a]-3:	C[5,6a](C[5,5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,5a,6a]C[5])(C[6a]C[6a]H)(CH3)	C[5,5a,6a](C[5a,6a]C[6a]N[5a])(C[5,5a]C[5a]C[5])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]C)(C[5]C[5]HH){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,5a,6a]C[5])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>,3|H<1>}	C[5,5a,6a](C[5a,6a]C[6a]N[5a])(C[5,5a]C[5a]C[5])(C[5,6a]C[6a]C[5]){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	116.8130	0.000	1	116.8130	0.000	1	116.8130	0.000	1	116.8130	0.000	1	114.6210	0.925	9	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:2:3:	3:3:1:	3:3:3:	C[5,6,6a]-3:O[5]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(O[5]Si[4,5,5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6,6a](N[5,6]Si[4,5,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(O[5]Si[4,5,5])(C[6a]C[6a]H){1|H<1>,2|N<3>,2|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(H){1|Si<6>,1|C<3>,1|H<1>,1|N<3>}	C[5,6,6a](N[5,6]Si[4,5,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){2|C<3>,2|N<3>,2|O<2>,4|H<1>}	118.5290	0.000	1	118.5290	0.000	1	118.5290	0.000	1	118.5290	0.000	1	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:2:3:	3:3:1:	4:3:3:	C[5,6,6a]-3:O[5]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6a](C[5,6,6a]C[5,5,6]C[6,6a])(O[5]C[5,5,6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[5,6a](C[5,6,6a]C[5,5,6]C[6,6a])(O[5]C[5,5,6])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6,6a](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|O<1>,3|H<1>,5|C<3>}	120.3020	0.242	2	120.3020	0.058	2	120.3020	0.058	2	120.3020	0.058	2	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:2:3:	3:3:2:	4:3:3:	C[5,6,6a]-3:O[5]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,4x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6a](C[5,6,6a]C[5,4x6]C[6,6a])(O[5]C[5,6,6])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OC)	C[5,6,6a](C[5,4x6]C[4,4x6]C[5,6,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[5,6a](C[5,6,6a]C[5,4x6]C[6,6a])(O[5]C[5,6,6])(C[6a]C[6a]O){1|C<3>,2|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	C[5,6,6a](C[5,4x6]C[4,4x6]C[5,6,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|C<3>,2|O<2>,4|C<4>,6|H<1>}	120.7340	0.000	1	120.7340	0.000	1	120.3646	0.138	13	120.3646	0.138	13	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:2:3:	3:3:2:	4:3:3:	C[5,6,6a]-3:O[5]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,4x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6a](C[5,6,6a]C[5,4x6]C[6,6a])(O[5]C[5,6,6])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OC)	C[5,6,6a](C[5,4x6]C[5,6,6]C[5x6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[5,6a](C[5,6,6a]C[5,4x6]C[6,6a])(O[5]C[5,6,6])(C[6a]C[6a]O){1|C<3>,1|H<1>,5|C<4>}	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	C[5,6,6a](C[5,4x6]C[5,6,6]C[5x6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	119.9480	0.000	1	120.3337	0.151	11	120.3646	0.138	13	120.3646	0.138	13	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:2:3:	3:3:2:	4:3:3:	C[5,6,6a]-3:O[5]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,4x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6a](C[5,6,6a]C[5,4x6]C[6,6a])(O[5]C[5,6,6])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OC)	C[5,6,6a](C[5,4x6]C[5,6,6]C[5x6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[5,6a](C[5,6,6a]C[5,4x6]C[6,6a])(O[5]C[5,6,6])(C[6a]C[6a]O){1|C<3>,2|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	C[5,6,6a](C[5,4x6]C[5,6,6]C[5x6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	120.3268	0.454	5	120.3337	0.151	11	120.3646	0.138	13	120.3646	0.138	13	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:2:3:	3:3:2:	4:3:3:	C[5,6,6a]-3:O[5]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,4x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6a](C[5,6,6a]C[5,4x6]C[6,6a])(O[5]C[5,6,6])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OC)	C[5,6,6a](C[5,4x6]C[5,6,6]C[5x6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[5,6a](C[5,6,6a]C[5,4x6]C[6,6a])(O[5]C[5,6,6])(C[6a]C[6a]O){1|C<3>,2|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	C[5,6,6a](C[5,4x6]C[5,6,6]C[5x6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|O<2>,2|C<3>,4|C<4>,6|H<1>}	120.4178	0.354	5	120.3337	0.151	11	120.3646	0.138	13	120.3646	0.138	13	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:2:3:	3:3:2:	4:3:3:	C[5,6,6a]-3:O[5]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,4x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6a](C[5,6,6a]C[5,4x6]C[6,6a])(O[5]C[5,6,6])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OH)	C[5,6,6a](C[5,4x6]C[5,6,6]C[5x6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[5,6a](C[5,6,6a]C[5,4x6]C[6,6a])(O[5]C[5,6,6])(C[6a]C[6a]O){1|C<3>,2|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,2|C<4>}	C[5,6,6a](C[5,4x6]C[5,6,6]C[5x6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	120.3350	0.000	1	120.3350	0.000	1	120.3646	0.138	13	120.3646	0.138	13	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6a]-3:C[5,6]-3:	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6,6a](C[6,6a]C[6,6]C[6a])(C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6])	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5,6,6a](C[6,6a]C[6,6]C[6a])(C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]){1|C<3>,2|C<4>,6|H<1>}	119.5530	0.000	1	119.5530	0.000	1	119.5530	0.000	1	117.8019	1.545	28	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:Cl-1:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]Cl)(O[5]Ga[5,5])	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(Cl)	C[5,6,6a](N[5,6]Ga[5,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]Cl)(O[5]Ga[5,5]){1|Cl<1>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|Ga<5>,1|C<3>,1|N<3>}	C[5,6,6a](N[5,6]Ga[5,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){3|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	116.7530	0.000	1	116.7530	0.000	1	116.7530	0.000	1	117.8019	1.545	28	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Si[5])	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6])	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Si[5]){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|H<1>,1|N<3>}	C[5,6,6a](C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6]){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	121.3740	0.000	1	121.3740	0.000	1	121.3740	0.000	1	117.8019	1.545	28	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Ga[3x5])	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6,6a](N[5,6]Ga[3x5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Ga[3x5]){1|H<1>,2|N<3>,2|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(H){1|Ga<6>,1|C<3>,1|H<1>,1|N<3>}	C[5,6,6a](N[5,6]Ga[3x5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){2|C<3>,2|N<3>,2|O<2>,4|H<1>}	116.6167	0.648	3	116.6167	0.420	3	117.6309	1.002	25	117.8019	1.545	28	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Ga[5,5])	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6,6a](N[5,6]Ga[5,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Ga[5,5]){1|H<1>,1|N<3>,2|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(H){1|Ga<5>,1|C<3>,1|H<1>,1|N<3>}	C[5,6,6a](N[5,6]Ga[5,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|C<4>,1|N<3>,2|C<3>,2|O<2>,3|H<1>}	118.0583	0.401	6	118.0626	0.134	7	117.6309	1.002	25	117.8019	1.545	28	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Ga[5,5])	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6,6a](N[5,6]Ga[5,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Ga[5,5]){1|H<1>,1|O<2>,2|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(H){1|Ga<5>,1|C<3>,1|H<1>,1|N<3>}	C[5,6,6a](N[5,6]Ga[5,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|C<4>,1|O<2>,2|C<3>,2|N<3>,3|H<1>}	118.0880	0.000	1	118.0626	0.134	7	117.6309	1.002	25	117.8019	1.545	28	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Ge[3x5])	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6,6a](N[5,6]Ge[3x5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Ge[3x5]){1|C<4>,1|H<1>,1|N<3>,2|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(H){1|Ge<6>,1|C<3>,1|H<1>,1|N<3>}	C[5,6,6a](N[5,6]Ge[3x5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|C<4>,1|N<3>,2|C<3>,2|O<2>,4|H<1>}	118.1980	0.165	2	118.1980	0.027	2	117.6309	1.002	25	117.8019	1.545	28	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]In[3x5])	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6,6a](N[5,6]In[3x5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]In[3x5]){1|H<1>,2|N<3>,2|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(H){1|In<6>,1|C<3>,1|H<1>,1|N<3>}	C[5,6,6a](N[5,6]In[3x5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){2|C<3>,2|N<3>,2|O<2>,4|H<1>}	116.4853	0.839	6	116.4853	0.704	6	117.6309	1.002	25	117.8019	1.545	28	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Nb[3x5])	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6,6a](N[5,6]Nb[3x5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Nb[3x5]){1|H<1>,1|O<1>,2|N<3>,2|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(H){1|Nb<7>,1|C<3>,1|H<1>,1|N<3>}	C[5,6,6a](N[5,6]Nb[3x5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|O<1>,2|C<3>,2|N<3>,2|O<2>,4|H<1>}	118.4895	0.616	2	118.4895	0.379	2	117.6309	1.002	25	117.8019	1.545	28	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Si[4,5])	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6,6a](N[5,6]Si[4,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Si[4,5]){1|H<1>,2|N<2>,2|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(H){1|Si<6>,1|C<3>,1|H<1>,1|N<3>}	C[5,6,6a](N[5,6]Si[4,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){2|C<3>,2|N<2>,2|N<3>,4|H<1>}	118.5000	0.316	3	118.4396	0.207	5	117.6309	1.002	25	117.8019	1.545	28	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Si[4,5])	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6,6a](N[5,6]Si[4,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Si[4,5]){2|Br<1>,1|H<1>,2|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(H){1|Si<6>,1|C<3>,1|H<1>,1|N<3>}	C[5,6,6a](N[5,6]Si[4,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){2|Br<1>,2|C<3>,2|N<3>,4|H<1>}	117.8000	0.000	1	118.4396	0.207	5	117.6309	1.002	25	117.8019	1.545	28	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Si[4,5])	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6,6a](N[5,6]Si[4,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Si[4,5]){2|Cl<1>,1|H<1>,2|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(H){1|Si<6>,1|C<3>,1|H<1>,1|N<3>}	C[5,6,6a](N[5,6]Si[4,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){2|Cl<1>,2|C<3>,2|N<3>,4|H<1>}	118.8980	0.000	1	118.4396	0.207	5	117.6309	1.002	25	117.8019	1.545	28	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]N[6]C)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6,6a](C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]N[6]C){1|C<4>,2|C<3>,6|H<1>}	121.0787	0.117	3	120.8956	0.070	5	120.8956	0.070	5	120.8956	0.070	5	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]N[6]C)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6,6a](C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]N[6]C){1|O<2>,2|C<3>,6|H<1>}	120.6570	0.000	1	120.8956	0.070	5	120.8956	0.070	5	120.8956	0.070	5	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]N[6]C)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>}	C[5,6,6a](C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]N[6]C){1|Cl<1>,1|O<2>,2|C<3>,5|H<1>}	120.5850	0.000	1	120.8956	0.070	5	120.8956	0.070	5	120.8956	0.070	5	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6a](C[5,6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6,6a]C[6a]C[6])	C[5,6a](C[5,6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[6a](C[5,6a]C[5,6,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6,6a]C[6a]C[6]){2|C<3>,4|H<1>,5|C<4>}	121.3770	0.000	1	121.3770	0.000	1	121.3770	0.000	1	120.9686	0.148	5	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,2|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|C<3>,4|C<4>,8|H<1>}	121.2880	0.000	1	121.2880	0.000	1	121.2880	0.000	1	120.9686	0.148	5	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6a](C[5,6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6,6]C[5,6]C[6]N[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[5,6a](C[5,6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6,6a](C[5,6,6]C[5,6]C[6]N[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	120.7430	0.000	1	120.7430	0.000	1	120.7430	0.000	1	120.9686	0.148	5	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6]C[6,6a]C[5]O)(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(O[5]C[5]){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6,6a](C[5,6]C[6,6a]C[5]O)(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|O<1>,3|H<1>,4|C<3>}	120.7175	0.381	2	120.7175	0.145	2	120.7175	0.145	2	120.9686	0.148	5	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:2:	3:3:2:	3:3:3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6,6]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6a](C[5,6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OC)	C[5,6,6a](C[5,6,6]C[5,6]C[6,6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[5,6a](C[5,6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6]){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,2|C<3>}	C[5,6,6a](C[5,6,6]C[5,6]C[6,6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	118.9095	0.349	4	118.9095	0.122	4	118.9095	0.122	4	118.9095	0.122	4	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:2:	3:3:2:	4:3:3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O-2:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OC)	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6]){1|C<3>,2|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|C<3>,2|O<2>,4|C<4>,6|H<1>}	120.9823	0.299	3	120.6762	0.350	18	120.8072	0.353	31	120.9041	0.500	34	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:2:	3:3:2:	4:3:3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O-2:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OC)	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6]){1|C<3>,2|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	120.7315	0.693	11	120.6762	0.350	18	120.8072	0.353	31	120.9041	0.500	34	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:2:	3:3:2:	4:3:3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O-2:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OC)	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6]){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	120.3910	0.000	1	120.6762	0.350	18	120.8072	0.353	31	120.9041	0.500	34	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:2:	3:3:2:	4:3:3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O-2:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OC)	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6]){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){2|C<3>,2|O<2>,3|C<4>,6|H<1>}	120.2530	0.228	2	120.6762	0.350	18	120.8072	0.353	31	120.9041	0.500	34	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:2:	3:3:2:	4:3:3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O-2:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OC)	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6]){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	120.2800	0.000	1	120.6762	0.350	18	120.8072	0.353	31	120.9041	0.500	34	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:2:	3:3:2:	4:3:3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O-2:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OC[6])	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6]){1|C<3>,2|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OC[6]){1|C<3>,1|H<1>,2|C<4>}	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	120.5790	0.000	1	120.5790	0.000	1	120.8072	0.353	31	120.9041	0.500	34	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:2:	3:3:2:	4:3:3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O-2:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OH)	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6]){1|C<3>,2|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,2|C<4>}	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|C<3>,2|O<2>,4|C<4>,6|H<1>}	120.9920	0.000	1	121.0227	0.340	12	120.8072	0.353	31	120.9041	0.500	34	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:2:	3:3:2:	4:3:3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O-2:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OH)	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6]){1|C<3>,2|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,2|C<4>}	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	121.3724	0.254	5	121.0227	0.340	12	120.8072	0.353	31	120.9041	0.500	34	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:2:	3:3:2:	4:3:3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O-2:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OH)	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6]){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,2|C<4>}	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	120.8835	0.105	2	121.0227	0.340	12	120.8072	0.353	31	120.9041	0.500	34	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:2:	3:3:2:	4:3:3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O-2:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OH)	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6]){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,2|C<4>}	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){2|C<3>,2|O<2>,3|C<4>,6|H<1>}	120.6628	0.877	4	121.0227	0.340	12	120.8072	0.353	31	120.9041	0.500	34	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:2:	3:3:2:	4:3:3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O-2:	C[5,5,6,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6a](C[5,6,6a]C[5,5,6,6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OC)	C[5,6,6a](C[5,5,6,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[5,6a](C[5,6,6a]C[5,5,6,6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6]){1|C<3>,2|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	C[5,6,6a](C[5,5,6,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	120.6020	0.000	1	120.6020	0.000	1	120.6020	0.000	1	120.9041	0.500	34	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:2:	3:3:2:	4:3:3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O-2:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6a](C[5,6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5])	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]C)(OH)	C[5,6,6a](C[5,5,6]C[5,6]C[5]2)(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[5,6a](C[5,6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5]){1|O<1>,2|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]C)(OH){1|C<4>,1|H<1>,2|C<3>}	C[5,6,6a](C[5,5,6]C[5,6]C[5]2)(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	122.5570	0.242	2	122.5570	0.058	2	122.5570	0.058	2	120.9041	0.500	34	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:2:	3:3:3:	3:3:3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[5,6,6a](C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6])	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[5,6,6a](C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	122.3040	0.000	1	122.3040	0.000	1	122.3040	0.000	1	122.3040	0.000	1	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:2:	3:3:3:	3:3:4:	C[5,6,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(S[5]C[5])	C[6a](C[5,6a]C[5,6,6a]S[5])(C[6a]C[6a]H)(COO)	C[5,6,6a](C[5,6a]C[6a]S[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(S[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6,6a]S[5])(C[6a]C[6a]H)(COO){1|C<3>,1|O<2>,2|C<4>}	C[5,6,6a](C[5,6a]C[6a]S[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	118.2470	0.000	1	118.2470	0.000	1	118.2470	0.000	1	118.2470	0.000	1	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:2:	3:3:3:	4:3:3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6a](C[5,6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]C)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]C)(CHO)	C[5,6,6a](C[5,6,6]C[5,6]C[6,6]H)(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]O[6])	C[5,6a](C[5,6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]C)(O[5]C[5,6]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]C)(CHO){1|C<3>,1|H<1>,2|C<4>}	C[5,6,6a](C[5,6,6]C[5,6]C[6,6]H)(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]O[6]){2|C<3>,3|C<4>,3|H<1>}	121.9710	0.000	1	121.9710	0.000	1	121.9710	0.000	1	120.8733	3.806	3	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:2:	3:3:3:	4:3:3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:N-3:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]N)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(NCH)	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]N)(O[5]C[5,6]){1|C<3>,2|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,2|C<4>}	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|C<3>,1|N<3>,4|C<4>,7|H<1>}	122.0280	0.000	1	122.0280	0.000	1	120.3245	5.804	2	120.8733	3.806	3	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:2:	3:3:3:	4:3:3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:N-3:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]N)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(NOO)	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]N)(O[5]C[5,6]){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(NOO){1|Cl<1>,1|C<3>,2|C<4>}	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|Cl<1>,1|N<3>,2|C<3>,3|C<4>,6|H<1>}	118.6210	0.000	1	118.6210	0.000	1	120.3245	5.804	2	120.8733	3.806	3	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-3:C[6,6a]-3:	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6a]C[5,5]C[6a])(C[5,6]C[5,5]C[6])(C[6,6a]C[6a]C[6])	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5,6a]C[5,6,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6,6a](C[5,6a]C[5,5]C[6a])(C[5,6]C[5,5]C[6])(C[6,6a]C[6a]C[6]){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	119.7720	0.000	1	119.7720	0.000	1	119.7720	0.000	1	118.8510	0.601	18	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[4,6]C[6a])(C[5,6]C[5,6a]C[6])	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6,6a](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[4,6]C[6a])(C[5,6]C[5,6a]C[6]){2|C<4>,3|C<3>,4|H<1>}	118.5430	0.132	6	118.5430	0.017	6	118.5430	0.017	6	118.8510	0.601	18	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6,6a]C[5,6a])(C[6a]C[6a,6a]H)(H)	C[5,6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[5,6,6a]C[5,6a,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6,6a]C[5,6a])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5,6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[5,6,6a]C[5,6a,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a]){1|B<4>,1|H<1>,6|C<3>}	117.4045	0.315	2	117.4045	0.099	2	117.4045	0.099	2	118.8510	0.601	18	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]N)	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6])	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]N){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]){1|C<3>,2|C<4>,2|N<2>,4|H<1>}	118.8583	0.292	3	118.8583	0.085	3	118.8583	0.085	3	118.8510	0.601	18	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6a]-3:N[5,6]-3:	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6,6a](C[6,6a]C[5a,6]C[6a])(C[5,6a]C[6a]C[5])(N[5,6]C[5]C[6])	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6,6a](C[6,6a]C[5a,6]C[6a])(C[5,6a]C[6a]C[5])(N[5,6]C[5]C[6]){1|S<2>,2|C<3>,2|O<1>,4|H<1>}	119.3300	0.520	4	119.3300	0.271	4	119.3300	0.271	4	118.8510	0.601	18	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:O-1:	N[6,6a]-3:C[5,6a]-3:C[5,6]-3:	C[5,6a](C[5,6,6a]N[6,6a]C[5,6])(C[6a]C[6a,6a]O)(C[5]C[6a]C[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6,6a]C[5])(O)	C[5,6,6a](N[6,6a]C[6a,6a]C[6,6a])(C[5,6a]C[6a]C[5])(C[5,6]C[5]N[6])	C[5,6a](C[5,6,6a]N[6,6a]C[5,6])(C[6a]C[6a,6a]O)(C[5]C[6a]C[5]){1|Br<1>,1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6,6a]C[5])(O){1|H<1>,1|N<3>,5|C<3>}	C[5,6,6a](N[6,6a]C[6a,6a]C[6,6a])(C[5,6a]C[6a]C[5])(C[5,6]C[5]N[6]){1|Br<1>,1|O<1>,5|C<3>}	119.1770	0.000	1	119.1770	0.000	1	119.1770	0.000	1	118.8510	0.601	18	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6a]C[6a]N[5])(C[6,6a]C[6a]N[6])(C[5,6]C[5]C[6])	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6,6a](C[5,6a]C[6a]N[5])(C[6,6a]C[6a]N[6])(C[5,6]C[5]C[6]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	120.4070	0.000	1	120.4070	0.000	1	120.4070	0.000	1	118.8510	0.601	18	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]C)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]C){1|C<3>,1|C<4>,1|O<1>,8|H<1>}	120.9770	0.000	1	120.6557	0.086	3	120.9274	0.363	5	120.5313	0.652	9	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]C)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]C){1|O<1>,3|C<3>,6|H<1>}	120.4950	0.134	2	120.6557	0.086	3	120.9274	0.363	5	120.5313	0.652	9	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[6]O[5]C)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[6]O[5]C){1|C<3>,1|C<4>,1|O<1>,6|H<1>}	120.7330	0.000	1	120.7330	0.000	1	120.9274	0.363	5	120.5313	0.652	9	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[6]O[5]H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[6]O[5]H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	121.9370	0.000	1	121.9370	0.000	1	120.9274	0.363	5	120.5313	0.652	9	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6,6a]-3:P[5,6]-4:	C[5,6a](C[5,6,6a]C[6,6a]P[5,6])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(P[5,6]C[5]P[6]W)	C[5,6a](C[5,6,6a]C[6,6a]P[5,6])(C[6a]C[6a]H)(C[5]C[5]H){1|Si<4>,1|H<1>,1|P<3>,1|W<6>,2|C<3>}	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(P[5,6]C[5]P[6]W){1|Si<4>,3|C<3>,4|H<1>}	118.9030	0.000	1	118.9030	0.000	1	118.9030	0.000	1	120.5313	0.652	9	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6a]-3:C[5,6]-4:	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6,6a](C[6,6a]C[3,6]C[6a])(C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6,6a](C[6,6a]C[3,6]C[6a])(C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]H){2|C<4>,3|C<3>,6|H<1>}	120.5240	0.000	1	120.5240	0.000	1	120.4140	0.144	3	120.5313	0.652	9	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6a]-3:C[5,6]-4:	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]C)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]C){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	120.3590	0.520	2	120.3590	0.271	2	120.4140	0.144	3	120.5313	0.652	9	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6,6a]-3:	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]O)(C[6,6a]C[6a]C[6])	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6,6a]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]O)(C[6,6a]C[6a]C[6]){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	119.3705	0.285	2	119.3705	0.081	2	119.3705	0.081	2	120.1737	0.933	4	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5,6a]-3:	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]C[5]H)(C[5,6a]C[6a]N[5])	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]C[5]H)(C[5,6a]C[6a]N[5]){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	120.9770	0.372	2	120.9770	0.138	2	120.9770	0.138	2	120.1737	0.933	4	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6]C[5,6a]C[6,6a]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6a]N[6])	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6,6a]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6,6a](C[5,6]C[5,6a]C[6,6a]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6a]N[6]){1|C<4>,2|H<1>,5|C<3>}	118.9820	0.000	1	119.3666	0.139	7	119.3666	0.139	7	120.2568	0.597	21	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6]C[5,6a]C[6,6a]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6a]N[6])	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6,6a]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6,6a](C[5,6]C[5,6a]C[6,6a]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6a]N[6]){2|H<1>,6|C<3>}	119.5490	0.405	4	119.3666	0.139	7	119.3666	0.139	7	120.2568	0.597	21	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6]C[5,6a]C[6,6a]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6a]N[6])	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6,6a]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6,6a](C[5,6]C[5,6a]C[6,6a]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6a]N[6]){3|H<1>,5|C<3>}	119.1940	0.020	2	119.3666	0.139	7	119.3666	0.139	7	120.2568	0.597	21	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6a](C[5,6,6a]C[5,6,6]C[6,6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])	C[5,6a](C[5,6,6a]C[5,6,6]C[6,6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6,6a](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6]){1|C<2>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	120.8930	0.228	2	120.7563	0.159	6	120.7563	0.159	6	120.2568	0.597	21	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6a](C[5,6,6a]C[5,6,6]C[6,6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])	C[5,6a](C[5,6,6a]C[5,6,6]C[6,6a])(C[5]C[5,6]O)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6,6a](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6]){1|C<2>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	121.0960	0.120	2	120.7563	0.159	6	120.7563	0.159	6	120.2568	0.597	21	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6a](C[5,6,6a]C[5,6,6]C[6,6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])	C[5,6a](C[5,6,6a]C[5,6,6]C[6,6a])(C[5]C[5,6]O)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6,6a](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6]){2|C<4>,2|O<1>,3|C<3>,3|H<1>}	120.2800	0.085	2	120.7563	0.159	6	120.7563	0.159	6	120.2568	0.597	21	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6]C[6a]C[6]N[5])(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]N[6])	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6,6a](C[5,6]C[6a]C[6]N[5])(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]N[6]){1|C<4>,1|O<1>,1|O<2>,1|S<4>,3|C<3>,4|H<1>}	120.8620	0.000	1	120.8620	0.000	1	120.8620	0.000	1	120.2568	0.597	21	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6a](C[5,6,6a]C[3,5,6]C[6,6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6,6a](C[3,5,6]C[3,6]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6,6a]C[6a]C[6])	C[5,6a](C[5,6,6a]C[3,5,6]C[6,6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6a](C[5,6a]C[5,6,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6,6a](C[3,5,6]C[3,6]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6,6a]C[6a]C[6]){1|O<1>,1|O<2>,2|C<3>,3|H<1>,4|C<4>}	121.1600	0.000	1	121.1600	0.000	1	121.1600	0.000	1	120.2568	0.597	21	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5,6]-4:C[6,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6,6a]C[3,5,6]C[6,6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6,6a](C[3,5,6]C[3,6]C[3]C[5])(C[6,6a]C[5,6]C[6a])(C[5,6a]C[6a]N[5])	C[5,6a](C[5,6,6a]C[3,5,6]C[6,6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6a](C[5,6a]C[5,6,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6,6a](C[3,5,6]C[3,6]C[3]C[5])(C[6,6a]C[5,6]C[6a])(C[5,6a]C[6a]N[5]){1|C<3>,1|O<1>,2|O<2>,3|H<1>,4|C<4>}	121.5760	0.000	1	121.5760	0.000	1	121.5760	0.000	1	120.2568	0.597	21	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6a](C[5,6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6,6a]C[6a]C[6])	C[5,6a](C[5,6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6a](C[5,6a]C[5,6,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6,6a](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6,6a]C[6a]C[6]){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	120.5215	0.217	2	120.5215	0.047	2	120.5215	0.047	2	120.2568	0.597	21	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6]C[5,6]C[5]O)(C[5,6a]C[6a]N[5])(C[6,6a]C[6a]C[6])	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6a](C[5,6a]C[5,6,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6,6a](C[5,6]C[5,6]C[5]O)(C[5,6a]C[6a]N[5])(C[6,6a]C[6a]C[6]){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	120.2157	0.273	3	120.2157	0.075	3	120.2157	0.075	3	120.2568	0.597	21	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:3:	3:3:2:	3:3:4:	C[5,6,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[5,6a]-3:C[5,6]-4:	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]O)(OC)	C[5,6,6a](C[6,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]O)(OC){1|C<4>,1|O<2>,3|C<3>}	C[5,6,6a](C[6,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]H){1|C<4>,2|H<1>,2|O<2>,5|C<3>}	118.3870	0.372	2	118.3870	0.138	2	118.3870	0.138	2	118.3870	0.138	2	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:3:	3:3:2:	4:3:3:	C[5,6,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:C-2:	C[5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C)	C[6a](C[5,6a]C[5,6,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(CN)	C[5,6,6a](C[5,6]C[5,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6a,6a]C[6])	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C){1|C<4>,1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(CN){1|C<4>,1|H<1>,5|C<3>}	C[5,6,6a](C[5,6]C[5,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6a,6a]C[6]){1|C<2>,2|H<1>,8|C<3>}	118.6870	0.000	1	118.6870	0.000	1	118.6870	0.000	1	118.6870	0.000	1	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(CCH)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[6]O[5]H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(C[5]O[5]O){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(CCH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[6]O[5]H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	121.9720	0.000	1	121.9720	0.000	1	121.9720	0.000	1	121.9720	0.000	1	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[5]C[5,6,6]O)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]O)(CH3)	C[5,6,6a](C[5,3x6]C[5,6,6]C[4x6]H)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[5]C[5,6,6]O)(C[6a]C[6a]C){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]O)(CH3){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6,6a](C[5,3x6]C[5,6,6]C[4x6]H)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6]){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	121.3533	0.406	3	121.3533	0.164	3	121.3533	0.164	3	121.3533	0.164	3	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6])	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]CH){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]){1|C<2>,3|C<3>,6|H<1>}	120.2840	0.000	1	120.2840	0.000	1	119.7240	0.627	2	118.9628	0.595	14	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6])	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|P<3>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]){1|P<3>,2|C<3>,6|H<1>}	119.1640	0.000	1	119.1640	0.000	1	119.7240	0.627	2	118.9628	0.595	14	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]CN)	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6])	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6]){1|C<3>,1|N<3>,1|O<1>,2|C<4>,6|H<1>}	119.6800	0.000	1	119.6800	0.000	1	118.7856	0.552	9	118.9628	0.595	14	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]CO)	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6])	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6]){1|C<2>,1|C<3>,1|C<4>,1|O<1>,1|O<2>,6|H<1>}	119.2900	0.000	1	119.2900	0.000	1	118.7856	0.552	9	118.9628	0.595	14	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6])	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]F)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6]){1|C<3>,1|C<4>,1|O<1>,8|H<1>}	117.7740	0.000	1	117.7740	0.000	1	118.7856	0.552	9	118.9628	0.595	14	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6])	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6]){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	118.5890	0.000	1	118.4670	0.094	5	118.7856	0.552	9	118.9628	0.595	14	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6])	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6]){1|C<3>,1|C<4>,1|N<3>,9|H<1>}	118.9440	0.000	1	118.4670	0.094	5	118.7856	0.552	9	118.9628	0.595	14	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6])	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6]){1|C<4>,3|C<3>,6|H<1>}	118.3190	0.000	1	118.4670	0.094	5	118.7856	0.552	9	118.9628	0.595	14	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6])	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6]){4|C<3>,6|H<1>}	118.2415	0.107	2	118.4670	0.094	5	118.7856	0.552	9	118.9628	0.595	14	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]P[5]CH)	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[6]P[5])	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]P[5]CH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|P<4>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[6]P[5]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,7|H<1>}	119.9910	0.000	1	119.9910	0.000	1	118.7856	0.552	9	118.9628	0.595	14	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6,6a](N[5,6]C[5a,6]C[5])(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6,6a](N[5,6]C[5a,6]C[5])(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6]){1|N<2>,1|N<3>,3|C<3>,6|H<1>}	118.2460	0.000	1	118.2460	0.000	1	118.5710	0.211	2	118.9628	0.595	14	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6,6a](N[5,6]C[6,6a]C[5])(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6,6a](N[5,6]C[6,6a]C[5])(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6]){1|C<4>,1|N<3>,1|O<2>,2|C<3>,6|H<1>}	118.8960	0.000	1	118.8960	0.000	1	118.5710	0.211	2	118.9628	0.595	14	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6,6a]-3:C[6a]-3:P[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(P[5]N[5]CC)	C[6a](C[5,6a]C[5,6,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6]C[6,6a]N[5])(C[5,6a]C[6a]P[5])(C[6,6a]C[6a]C[6])	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(P[5]N[5]CC){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6,6a](C[5,6]C[6,6a]N[5])(C[5,6a]C[6a]P[5])(C[6,6a]C[6a]C[6]){2|H<1>,3|C<3>,4|C<4>}	119.8190	0.000	1	119.8190	0.000	1	119.8190	0.000	1	118.9628	0.595	14	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(Br)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]O[6])(C[5,6]C[5]C[6]H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(Br){1|C<3>,2|C<4>,3|H<1>}	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]O[6])(C[5,6]C[5]C[6]H){1|Br<1>,1|C<3>,2|C<4>,6|H<1>}	118.1330	0.000	1	118.1330	0.000	1	118.1330	0.000	1	118.7200	0.689	2	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6a]-3:C[5,6]-4:	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6,6a](C[6,6a]C[3x6]C[6a])(C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6,6a](C[6,6a]C[3x6]C[6a])(C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]H){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	119.3070	0.000	1	119.3070	0.000	1	119.3070	0.000	1	118.7200	0.689	2	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5,6a]-3:	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6,6a](C[6,6a]N[6,6]C[6a])(C[5,6]C[5,6]C[5]O)(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6,6a](C[6,6a]N[6,6]C[6a])(C[5,6]C[5,6]C[5]O)(C[5,6a]C[6a]C[5]){1|C<4>,3|C<3>,7|H<1>}	119.1600	0.000	1	119.1600	0.000	1	119.1600	0.000	1	119.1600	0.000	1	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:4:	3:3:1:	4:3:3:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6,6a](C[5,6]C[3x6]C[5]H)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6,6a](C[5,6]C[3x6]C[5]H)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6]){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	119.8640	0.000	1	119.8640	0.000	1	119.8640	0.000	1	119.3545	0.519	2	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:3:4:	3:3:1:	4:3:3:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6]C[6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6,6a](C[5,6]C[6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6a]C[6a]C[5]){5|H<1>,6|C<3>}	118.8450	0.000	1	118.8450	0.000	1	118.8450	0.000	1	119.3545	0.519	2	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6a]C[5,5]C[6a])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6])	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	C[6a](C[5,6a]C[5,6,6a]C[5,5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5,6,6a](C[5,6a]C[5,5]C[6a])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6]){1|C<3>,1|H<1>,1|O<2>,2|O<1>,5|C<4>}	117.7220	0.000	1	117.7220	0.000	1	117.7220	0.000	1	117.9880	1.259	25	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-3:C[6,6a]-3:	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6])(C[6,6a]C[6a]C[6])	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6])(C[6,6a]C[6a]C[6]){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	118.2730	0.000	1	118.8304	0.253	5	118.8304	0.253	5	117.9880	1.259	25	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-3:C[6,6a]-3:	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6])(C[6,6a]C[6a]C[6])	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6])(C[6,6a]C[6a]C[6]){2|C<3>,2|C<4>,3|O<2>,4|H<1>}	118.9698	0.456	4	118.8304	0.253	5	118.8304	0.253	5	117.9880	1.259	25	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[6,6]C[5]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6a]C[5,6]C[6a])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6])	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[6,6]C[5]C[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,4|C<3>}	C[5,6,6a](C[5,6a]C[5,6]C[6a])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	118.2860	0.000	1	118.2860	0.000	1	118.1961	0.103	7	117.9880	1.259	25	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[6,6a]C[5]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6a]C[5,6]C[6a])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6])	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[6,6a]C[5]C[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,4|C<3>}	C[5,6,6a](C[5,6a]C[5,6]C[6a])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	118.1812	0.349	6	118.1812	0.121	6	118.1961	0.103	7	117.9880	1.259	25	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6a](C[5,6,6a]C[5,6,6]C[6,6a])(C[5]C[5,6]MoH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6,6]C[5,6]C[6,6])(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])	C[5,6a](C[5,6,6a]C[5,6,6]C[6,6a])(C[5]C[5,6]MoH)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H){1|Mo<10>,1|C<4>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,6,6]C[5,6]C[6,6])(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6]){1|Mo<10>,2|C<3>,2|C<4>,5|H<1>}	116.5540	0.000	1	116.5540	0.000	1	116.5540	0.000	1	117.9880	1.259	25	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6a]-3:	C[5,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6,6a](C[5,6,6a]C[5,6,6]C[5,6a])(C[5,6,6]C[5,6,6]C[5,6])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[5,6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6,6]C[5,6a])(C[5,6,6]C[5,6,6]C[5,6])(C[5,6a]C[6a]C[5]){1|Hf<12>,3|C<3>,3|C<4>,3|H<1>}	115.8470	0.000	1	115.8470	0.000	1	116.8653	0.844	3	117.9880	1.259	25	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6a]-3:	C[5,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6]C[5,6,6]C[5,6])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[5,6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6]C[5,6,6]C[5,6])(C[5,6a]C[6a]C[5]){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	117.3745	0.364	2	117.3745	0.133	2	116.8653	0.844	3	117.9880	1.259	25	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6,6a]C[5,6,6a]2)(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6a]C[5,6,6]C[5,6a])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6,6a]C[5,6,6a]2)(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[5,6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6a]C[5,6,6]C[5,6a])(C[5,6a]C[6a]C[5]){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	116.5310	0.132	2	116.8740	0.166	4	116.8740	0.166	4	117.9880	1.259	25	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6,6a]C[5,6,6a]2)(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6a]C[5,6,6]C[5,6a])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6,6a]C[5,6,6a]2)(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[5,6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6a]C[5,6,6]C[5,6a])(C[5,6a]C[6a]C[5]){2|C<4>,3|H<1>,4|C<3>}	117.2170	0.105	2	116.8740	0.166	4	116.8740	0.166	4	117.9880	1.259	25	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[6,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6,6a]C[5,6,6a]C[6,6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6,6a](C[5,6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6,6]C[6a])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6,6a]C[5,6,6a]C[6,6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]C)(H){3|C<3>,3|H<1>}	C[5,6,6a](C[5,6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6,6]C[6a])(C[5,6a]C[6a]C[5]){1|Ru<11>,2|C<4>,3|C<3>,4|H<1>}	117.5745	0.583	2	117.5745	0.340	2	117.5745	0.340	2	117.9880	1.259	25	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(P[5]C[6a]C[5]Rh)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6a]C[6a]P[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6])	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(P[5]C[6a]C[5]Rh)(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6,6a]P[5])(C[6a]C[6a]H)(H){1|Rh<4>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6,6a](C[5,6a]C[6a]P[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6]){1|Rh<4>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	120.3290	0.201	2	120.3290	0.040	2	120.3290	0.040	2	117.9880	1.259	25	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a]-3:	C[5,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6]C[5,6,6]C[5,6]O)(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[5,6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6]C[5,6,6]C[5,6]O)(C[5,6a]C[6a]C[5]){1|C<4>,3|H<1>,5|C<3>}	117.1355	0.062	2	117.1355	0.004	2	117.1355	0.004	2	117.1355	0.004	2	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6,6a]C[5,6,6]C[6,6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6,6]C[5,6]C[6,6]Ru)(C[6,6a]C[6,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6,6a]C[5,6,6]C[6,6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|Ru<11>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6,6a](C[5,6,6]C[5,6]C[6,6]Ru)(C[6,6a]C[6,6a]C[6a])(C[5,6a]C[6a]C[5]){2|C<4>,3|C<3>,4|H<1>}	117.2165	0.074	2	117.2165	0.006	2	117.2165	0.006	2	117.2165	0.006	2	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:2:	3:3:3:	C[5,6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5,6]-3:C[6,6a]-3:	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[5,6,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6])(C[6,6a]C[6a]C[6])	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]O){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<4>,2|H<1>,3|C<3>}	C[5,6,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6])(C[6,6a]C[6a]C[6]){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	119.5530	0.000	1	119.5530	0.000	1	119.5530	0.000	1	118.3025	3.128	2	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:2:	3:3:3:	C[5,6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[6,6a]C[5]C[6])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6,6a]C[5,6])(C[6a]C[6a]H)(OH)	C[5,6,6a](C[5,6a]C[5,6]C[6a])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6])	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[6,6a]C[5]C[6])(C[6a]C[6a]O){2|C<4>,2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6,6a]C[5,6])(C[6a]C[6a]H)(OH){1|C<4>,1|O<2>,4|C<3>}	C[5,6,6a](C[5,6a]C[5,6]C[6a])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]){1|C<4>,1|H<1>,1|O<1>,2|O<2>,4|C<3>}	117.0520	0.000	1	117.0520	0.000	1	117.0520	0.000	1	118.3025	3.128	2	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:2:	3:3:4:	C[5,6,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5]C[6a]C[5]H)(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]O)(OC)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5]C[6a]C[5]H)(C[6a]C[6a]O){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]O)(OC){2|C<3>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]H){1|C<4>,1|O<2>,3|C<3>,7|H<1>}	119.8560	0.000	1	119.8560	0.000	1	119.0605	1.266	2	119.0605	1.266	2	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:2:	3:3:4:	C[5,6,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5]C[6a]O[5]H)(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[6]O[5]O)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5]C[6a]O[5]H)(C[6a]C[6a]O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[6]O[5]O){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	118.2650	0.000	1	118.2650	0.000	1	119.0605	1.266	2	119.0605	1.266	2	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:2:	3:4:3:	C[5,6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5,6]-4:C[6,6a]-3:	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[5]C[6]2)(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[5,6,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[6,6]C[5]O)(C[6,6a]C[6a]C[6])	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[5]C[6]2)(C[6a]C[6a]O){1|O<2>,3|H<1>,4|C<3>,4|C<4>}	C[6a](C[5,6a]C[5,6,6a]C[5,6])(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>,3|C<4>}	C[5,6,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[6,6]C[5]O)(C[6,6a]C[6a]C[6]){1|O<1>,2|C<4>,2|H<1>,2|O<2>,3|C<3>}	116.4450	0.000	1	116.4450	0.000	1	116.4450	0.000	1	116.4450	0.000	1	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:3:	3:3:4:	C[5,6,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5]C[6a]C[5]H)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]C)(COO)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5]C[6a]C[5]H)(C[6a]C[6a]C){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]C)(COO){1|H<1>,2|C<4>,3|C<3>}	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]H){1|C<4>,5|C<3>,6|H<1>}	119.5970	0.000	1	119.5970	0.000	1	119.5970	0.000	1	119.5970	0.000	1	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[5,5]C[5,5,6,6]O[5]H)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6,6a]C[5,5])(C[6a]C[6a]O)(CH3)	C[5,6,6a](C[5,3x6]C[5,5,6,6]C[4x6]H)(C[5,6a]C[5,5]C[6a])(C[6,6a]C[6a]C[6])	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[5,5]C[5,5,6,6]O[5]H)(C[6a]C[6a]C){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6,6a]C[5,5])(C[6a]C[6a]O)(CH3){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,3x6]C[5,5,6,6]C[4x6]H)(C[5,6a]C[5,5]C[6a])(C[6,6a]C[6a]C[6]){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	120.4940	0.000	1	120.4940	0.000	1	120.4940	0.000	1	120.3973	0.014	3	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]O)(CH3)	C[5,6,6a](C[5,3x6]C[5,6,6]C[4x6]H)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]C){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]O)(CH3){1|C<3>,2|C<4>,3|H<1>}	C[5,6,6a](C[5,3x6]C[5,6,6]C[4x6]H)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6]){2|C<3>,4|C<4>,6|H<1>}	120.4300	0.000	1	120.4300	0.000	1	120.3490	0.013	2	120.3973	0.014	3	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6a]	3:4:3:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]O)(CH3)	C[5,6,6a](C[5,3x6]C[5,6,6]C[4x6]O)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]C){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]O)(CH3){1|C<3>,2|C<4>,3|H<1>}	C[5,6,6a](C[5,3x6]C[5,6,6]C[4x6]O)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6]){2|C<3>,4|C<4>,6|H<1>}	120.2680	0.000	1	120.2680	0.000	1	120.3490	0.013	2	120.3973	0.014	3	119.4555	2.307	213	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:Se[5]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[3x6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(Se[5]C[5,6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[6a,6a]H)(H)	C[5,6a,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[6a]Se[5])(C[3x6a]C[6a,6a]2)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(Se[5]C[5,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[6a,6a]H)(H){4|C<3>}	C[5,6a,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[6a]Se[5])(C[3x6a]C[6a,6a]2){1|H<1>,6|C<3>}	119.5050	0.543	2	119.5050	0.295	2	119.5050	0.295	2	119.5050	0.295	2	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:2:3:	3:3:2:	3:3:3:	C[5,6a,6a]-3:Se[5]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(Se[5]C[5,6a])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[6a,6a]O)(OC)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[3x6a]C[6a,6a]C[3x6a])(C[5,6a]C[6a]Se[5])	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(Se[5]C[5,6a])(C[6a]C[6a]O){1|O<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[6a,6a]O)(OC){1|N<2>,3|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[3x6a]C[6a,6a]C[3x6a])(C[5,6a]C[6a]Se[5]){1|N<2>,1|O<2>,5|C<3>}	119.1230	0.000	1	118.6690	0.412	2	118.6690	0.412	2	118.1260	0.577	4	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:2:3:	3:3:2:	3:3:3:	C[5,6a,6a]-3:Se[5]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(Se[5]C[5,6a])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[6a,6a]O)(OC)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[3x6a]C[6a,6a]C[3x6a])(C[5,6a]C[6a]Se[5])	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(Se[5]C[5,6a])(C[6a]C[6a]O){1|O<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[6a,6a]O)(OC){4|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[3x6a]C[6a,6a]C[3x6a])(C[5,6a]C[6a]Se[5]){1|O<2>,6|C<3>}	118.2150	0.000	1	118.6690	0.412	2	118.6690	0.412	2	118.1260	0.577	4	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:2:3:	3:3:2:	3:3:3:	C[5,6a,6a]-3:Se[5]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(Se[5]C[5,6a])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[5,6a]O)(OC)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[6a]Se[5])	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(Se[5]C[5,6a])(C[6a]C[6a]O){1|O<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[5,6a]O)(OC){1|Se<2>,3|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[6a]Se[5]){1|Se<2>,1|O<2>,5|C<3>}	117.5830	0.373	2	117.5830	0.139	2	117.5830	0.139	2	118.1260	0.577	4	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:As[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(As[5]P[5])	C[6a](C[5,6a]C[5,6a,6a]As[5])(C[6a]C[5,6a]H)(H)	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]As[5]C[6a])(C[5,6a]C[6a]P[5])	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(As[5]P[5]){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]As[5])(C[6a]C[5,6a]H)(H){1|C<4>,1|P<4>,2|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]As[5]C[6a])(C[5,6a]C[6a]P[5]){2|C<3>,2|H<1>,4|C<4>}	117.1695	0.022	2	117.6533	0.703	3	117.6533	0.703	3	120.0921	1.671	28	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:As[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(As[5]P[5])	C[6a](C[5,6a]C[5,6a,6a]As[5])(C[6a]C[5,6a]H)(H)	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]As[5]C[6a])(C[5,6a]C[6a]P[5])	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(As[5]P[5]){1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]As[5])(C[6a]C[5,6a]H)(H){1|C<4>,1|P<4>,2|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]As[5]C[6a])(C[5,6a]C[6a]P[5]){2|C<4>,2|H<1>,4|C<3>}	118.6210	0.000	1	117.6533	0.703	3	117.6533	0.703	3	120.0921	1.671	28	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:N[5,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)(N[5]S[5])	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(N[5,6a]B[6a]S[5])	C[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)(N[5]S[5]){1|B<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(N[5,6a]B[6a]S[5]){2|H<1>,5|C<3>}	119.4490	0.178	2	119.4490	0.032	2	119.4490	0.032	2	120.0921	1.671	28	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]O[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,1|N<3>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]O[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]O[5])(C[6a,6a]C[6a]2){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	120.8590	0.076	2	120.8590	0.006	2	120.6180	0.960	7	120.0921	1.671	28	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]O[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a,6a]C[6a]2){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	120.9075	0.665	2	120.9075	0.443	2	120.6180	0.960	7	120.0921	1.671	28	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(O[5]C[5]){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a,6a]C[6a]2){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	121.7430	0.000	1	120.2643	2.327	3	120.6180	0.960	7	120.0921	1.671	28	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(O[5]C[5]){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a,6a]C[6a]2){3|C<3>,5|H<1>}	119.5250	1.172	2	120.2643	2.327	3	120.6180	0.960	7	120.0921	1.671	28	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:P[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5])	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H)	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]P[5])2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H){1|C<4>,1|P<4>,2|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]P[5])2{2|C<3>,2|H<1>,4|C<4>}	118.0540	0.000	1	118.0540	0.000	1	118.0540	0.000	1	120.0921	1.671	28	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[3x6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[6a]C[5,6a]H)(S[5]S[5])	C[6a](C[5,6a]C[5,6a,6a]S[5])2(H)	C[5,6a,6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[6a]S[5])2	C[5,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[6a]C[5,6a]H)(S[5]S[5]){1|S<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]S[5])2(H){2|S<2>,3|C<3>}	C[5,6a,6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[6a]S[5])2{2|H<1>,4|C<3>}	121.4075	0.071	2	121.4075	0.005	2	121.4075	0.005	2	120.0921	1.671	28	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(S[5]P[5])	C[6a](C[5,6a]C[5,6a,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]P[5])(C[5,6a]C[6a]S[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(S[5]P[5]){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,2|C<3>}	C[5,6a,6a](C[5,6a]C[6a]P[5])(C[5,6a]C[6a]S[5])(C[6a,6a]C[6a]2){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	120.0960	0.000	1	120.0960	0.000	1	120.0960	0.000	1	120.0921	1.671	28	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[6,6a,6a]C[5,6a])(C[6a]C[6a]H)(S[5]S[5])	C[6a](C[5,6a]C[5,6a,6a]S[5])(C[6a]C[6,6a]H)(H)	C[5,6a,6a](C[6,6a,6a]C[6,6a]2)(C[5,6a]C[6a]S[5])2	C[5,6a](C[5,6a,6a]C[6,6a,6a]C[5,6a])(C[6a]C[6a]H)(S[5]S[5]){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]S[5])(C[6a]C[6,6a]H)(H){1|S<2>,3|C<3>}	C[5,6a,6a](C[6,6a,6a]C[6,6a]2)(C[5,6a]C[6a]S[5])2{2|H<1>,4|C<3>}	120.1255	0.030	2	120.1255	0.001	2	120.1255	0.001	2	120.0921	1.671	28	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:S[5]-2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[3x6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[6a]C[5a,6a]H)(S[5]S[5])	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[5,6a]C[5,6a,6a]S[5])(H)	C[5,6a,6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[6a]S[5])2	C[5,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[6a]C[5a,6a]H)(S[5]S[5]){1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[5,6a]C[5,6a,6a]S[5])(H){2|S<2>,3|C<3>}	C[5,6a,6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[6a]S[5])2{2|H<1>,4|C<3>}	121.4450	0.232	2	121.4450	0.054	2	121.4450	0.054	2	120.0921	1.671	28	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[6,6a,6a]C[5,6a])(C[6a]C[6a]Cl)(Se[5]Se[5])	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[6,6a]H)(Cl)	C[5,6a,6a](C[6,6a,6a]C[6,6a]2)(C[5,6a]C[6a]Se[5])2	C[5,6a](C[5,6a,6a]C[6,6a,6a]C[5,6a])(C[6a]C[6a]Cl)(Se[5]Se[5]){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[6,6a]H)(Cl){1|Se<2>,3|C<3>}	C[5,6a,6a](C[6,6a,6a]C[6,6a]2)(C[5,6a]C[6a]Se[5])2{2|Cl<1>,4|C<3>}	119.5583	0.445	4	119.5583	0.198	4	119.5583	0.198	4	120.0921	1.671	28	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(Se[5]N[5])	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]Se[5])(C[5,6a]C[6a]N[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(Se[5]N[5]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a,6a](C[5,6a]C[6a]Se[5])(C[5,6a]C[6a]N[5])(C[6a,6a]C[6a]2){1|C<4>,3|C<3>,3|H<1>}	121.0420	0.000	1	121.0420	0.000	1	121.0143	0.282	4	120.0921	1.671	28	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(Se[5]Se[5])	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]Se[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(Se[5]Se[5]){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[6a]H)(H){1|Se<2>,1|H<1>,2|C<3>}	C[5,6a,6a](C[5,6a]C[6a]Se[5])2(C[6a,6a]C[6a]2){1|C<4>,2|C<3>,3|H<1>}	121.2290	0.738	2	121.0050	0.423	3	121.0143	0.282	4	120.0921	1.671	28	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(Se[5]Se[5])	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]Se[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(Se[5]Se[5]){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[6a]H)(H){1|Se<2>,1|H<1>,2|C<3>}	C[5,6a,6a](C[5,6a]C[6a]Se[5])2(C[6a,6a]C[6a]2){3|C<3>,3|H<1>}	120.5570	0.000	1	121.0050	0.423	3	121.0143	0.282	4	120.0921	1.671	28	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:2:	3:3:2:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(O[5]C[5])	C[6a](C[5,6a]C[5,6a,6a]O[5])(C[6a]C[6a]H)(OC)	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(O[5]C[5]){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]O[5])(C[6a]C[6a]H)(OC){1|O<2>,3|C<3>}	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a,6a]C[6a]2){1|O<1>,2|C<3>,2|H<1>,2|O<2>}	119.1020	0.000	1	119.1020	0.000	1	119.1020	0.000	1	120.2967	1.087	3	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:2:	3:3:2:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(Se[5]Se[5])	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[6a]H)(OC)	C[5,6a,6a](C[5,6a]C[6a]Se[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(Se[5]Se[5]){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[6a]H)(OC){1|Se<2>,1|H<1>,2|C<3>}	C[5,6a,6a](C[5,6a]C[6a]Se[5])2(C[6a,6a]C[6a]2){2|C<3>,2|H<1>,2|O<2>}	120.8940	0.181	2	120.8940	0.033	2	120.8940	0.033	2	120.2967	1.087	3	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[6a]C[6a,6a]C[5a])(N[5]C[5,6a])	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])	C[5,6a,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[6a]C[6a,6a]C[5a])(N[5]C[5,6a]){1|N<3>,6|C<3>}	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a]){3|H<1>,7|C<3>}	C[5,6a,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5]){1|H<1>,6|C<3>}	116.9770	0.069	4	116.9770	0.005	4	116.9770	0.005	4	117.8744	4.030	5	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]C)(Se[5]Se[5])	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[6a]H)(CHN)	C[5,6a,6a](C[5,6a]C[6a]Se[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]C)(Se[5]Se[5]){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[6a]H)(CHN){1|Se<2>,1|H<1>,2|C<3>}	C[5,6a,6a](C[5,6a]C[6a]Se[5])2(C[6a,6a]C[6a]2){3|C<3>,3|H<1>}	121.4640	0.000	1	121.4640	0.000	1	121.4640	0.000	1	117.8744	4.030	5	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]C)(Se[5]Se[5])	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[6a]H)(CHHN)	C[5,6a,6a](C[5,6a]C[6a]Se[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]C)(Se[5]Se[5]){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[6a]H)(CHHN){1|Se<2>,1|H<1>,2|C<3>}	C[5,6a,6a](C[5,6a]C[6a]Se[5])2(C[6a,6a]C[6a]2){1|C<4>,2|C<3>,3|H<1>}	121.4750	0.000	1	121.4750	0.000	1	120.6060	1.510	2	120.6060	1.510	2	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]C)(Se[5]Se[5])	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[6a]H)(CHHO)	C[5,6a,6a](C[5,6a]C[6a]Se[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]C)(Se[5]Se[5]){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[6a]H)(CHHO){1|Se<2>,1|H<1>,2|C<3>}	C[5,6a,6a](C[5,6a]C[6a]Se[5])2(C[6a,6a]C[6a]2){1|C<4>,2|C<3>,3|H<1>}	119.7370	0.000	1	119.7370	0.000	1	120.6060	1.510	2	120.6060	1.510	2	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:As[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(As[5]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]As[5])(C[6a]C[5,6a]H)(H)	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]As[5]C[6a])(C[5,6a]C[6a]P[5])	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(As[5]C[6a]P[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]As[5])(C[6a]C[5,6a]H)(H){1|C<4>,1|P<3>,3|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]As[5]C[6a])(C[5,6a]C[6a]P[5]){2|H<1>,3|C<3>,3|C<4>}	119.1520	0.392	2	119.0773	0.093	3	119.0773	0.093	3	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:As[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(As[5]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]As[5])(C[6a]C[5,6a]H)(H)	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]As[5]C[6a])(C[5,6a]C[6a]P[5])	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(As[5]C[6a]P[5])(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]As[5])(C[6a]C[5,6a]H)(H){1|C<4>,1|P<4>,3|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]As[5]C[6a])(C[5,6a]C[6a]P[5]){2|H<1>,3|C<3>,4|C<4>}	118.9280	0.000	1	119.0773	0.093	3	119.0773	0.093	3	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:B[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[5]C[6]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[5]C[6]P[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,4|C<4>}	C[6a](C[5,6a]C[5,6a,6a]B[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2){2|C<3>,3|C<4>,4|H<1>}	117.0160	0.000	1	117.0160	0.000	1	118.2270	1.377	3	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:B[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[5]C[6a]B[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a,6a]B[5])(C[5,6a]C[6a]B[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[5]C[6a]B[5])(C[6a]C[6a]H){1|H<1>,2|P<4>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]B[5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5,6a,6a](C[5,6a]C[6a,6a]B[5])(C[5,6a]C[6a]B[5])(C[6a,6a]C[6a]2){2|P<4>,3|H<1>,4|C<3>}	119.3590	0.000	1	119.3590	0.000	1	118.2270	1.377	3	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:B[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[5]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[5]C[6a]P[5])(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2){2|C<4>,3|C<3>,4|H<1>}	118.3060	0.000	1	118.3060	0.000	1	118.2270	1.377	3	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[5,6a]H)(H)	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[5,5]C[6a])2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[5,6a]H)(H){1|N<3>,4|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[5,5]C[6a])2{2|H<1>,2|N<3>,4|C<3>}	117.7050	0.925	2	117.7050	0.855	2	117.7050	0.855	2	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	118.9840	0.000	1	118.4323	0.333	7	118.7049	0.878	87	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2){4|C<3>,4|H<1>}	118.3715	0.739	2	118.4323	0.333	7	118.7049	0.878	87	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2){1|C<4>,4|C<3>,4|H<1>}	118.5995	0.144	2	118.4323	0.333	7	118.7049	0.878	87	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2){4|C<3>,4|H<1>}	118.6720	0.000	1	118.4323	0.333	7	118.7049	0.878	87	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	117.4280	0.000	1	118.4323	0.333	7	118.7049	0.878	87	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|C<2>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,4|H<1>}	118.9565	0.173	2	118.7306	0.935	79	118.7049	0.878	87	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|Ga<3>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,4|H<1>}	118.0667	0.773	3	118.7306	0.935	79	118.7049	0.878	87	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|Ga<4>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,4|H<1>}	117.9982	0.642	26	118.7306	0.935	79	118.7049	0.878	87	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|Ga<6>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,4|H<1>}	119.3627	0.341	10	118.7306	0.935	79	118.7049	0.878	87	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|P<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,4|H<1>}	119.4253	1.328	14	118.7306	0.935	79	118.7049	0.878	87	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|S<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,4|H<1>}	119.9835	0.241	2	118.7306	0.935	79	118.7049	0.878	87	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,4|H<1>}	118.7099	0.607	16	118.7306	0.935	79	118.7049	0.878	87	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|In<6>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,4|H<1>}	119.1247	0.568	6	118.7306	0.935	79	118.7049	0.878	87	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5a]C[5,5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5a]C[5,5])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2){4|C<3>,4|H<1>}	118.5770	0.000	1	118.5770	0.000	1	118.7049	0.878	87	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5,6a,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,5a])(C[6a]C[5,6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,5a]C[6a])2(C[5,6a,6a]C[5,6a]2)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]H){1|B<3>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,5a])(C[6a]C[5,6a]H)(H){1|N<3>,4|C<3>}	C[5,6a,6a](C[5,6a]C[5,5a]C[6a])2(C[5,6a,6a]C[5,6a]2){2|H<1>,2|N<3>,4|C<3>}	116.7005	0.333	2	116.7005	0.111	2	116.7005	0.111	2	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6,6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6,6a,6a]C[5,6a])(C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,5a])(C[6a]C[6,6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,5a]C[6a])2(C[6,6a,6a]C[6,6a]2)	C[5,6a](C[5,6a,6a]C[6,6a,6a]C[5,6a])(C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,5a])(C[6a]C[6,6a]H)(H){5|C<3>}	C[5,6a,6a](C[5,6a]C[5,5a]C[6a])2(C[6,6a,6a]C[6,6a]2){2|H<1>,6|C<3>}	118.1165	0.651	2	118.1165	0.424	2	118.1165	0.424	2	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,5a]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]H){1|As<2>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a,6a](C[5,6a]C[5,5a]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,4|H<1>}	118.7109	0.826	8	118.4790	0.565	34	118.4699	0.538	36	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,5a]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]H){1|B<3>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a,6a](C[5,6a]C[5,5a]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,4|H<1>}	118.2965	0.629	24	118.4790	0.565	34	118.4699	0.538	36	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,5a]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]H){1|B<4>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a,6a](C[5,6a]C[5,5a]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,4|H<1>}	119.7415	0.590	2	118.4790	0.565	34	118.4699	0.538	36	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]S[5a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,5a]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]S[5a])(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5,6a,6a](C[5,6a]C[5,5a]C[6a])2(C[6a,6a]C[6a]2){1|S<2>,3|C<3>,4|H<1>}	118.5960	0.000	1	118.5960	0.000	1	118.4699	0.538	36	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5a,5a]C[5,5a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,5a]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5a,5a]C[5,5a])(C[6a]C[6a]H){1|H<1>,1|S<2>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a]C[5,5a]C[6a])2(C[6a,6a]C[6a]2){1|S<2>,3|C<3>,4|H<1>}	118.0360	0.000	1	118.0360	0.000	1	118.4699	0.538	36	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,5,6]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a,6a](C[5,6a]C[5,5,6]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a,6a]C[6a]2){1|C<4>,4|C<3>,4|H<1>}	118.2010	0.000	1	118.2010	0.000	1	118.0866	0.465	18	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,6]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a,6a](C[5,6a]C[5,6]C[6a])2(C[6a,6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	118.1410	0.313	3	118.1410	0.098	3	118.0866	0.465	18	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[5,6]C[6a])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]2)(C[6a]C[6a]H){1|H<1>,3|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a,6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[5,6]C[6a])(C[6a,6a]C[6a]2){2|C<4>,2|H<1>,5|C<3>}	117.7297	0.752	6	117.7297	0.565	6	118.0866	0.465	18	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,6]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a]C[5,6]C[6a])2(C[6a,6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	117.8463	0.110	3	118.1760	0.722	5	118.0866	0.465	18	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,6]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a]C[5,6]C[6a])2(C[6a,6a]C[6a]2){4|C<3>,4|H<1>}	119.6830	0.000	1	118.1760	0.722	5	118.0866	0.465	18	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,6]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a]C[5,6]C[6a])2(C[6a,6a]C[6a]2){4|C<3>,4|H<1>}	117.6580	0.000	1	118.1760	0.722	5	118.0866	0.465	18	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]O[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,6]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]O[6])(C[6a]C[6a]H){1|Ga<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a,6a](C[5,6a]C[5,6]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|O<2>,4|H<1>}	118.3220	0.000	1	118.3220	0.000	1	118.0866	0.465	18	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]S[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,6]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]S[6])(C[6a]C[6a]H){1|H<1>,1|S<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5,6a,6a](C[5,6a]C[5,6]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|S<2>,4|H<1>}	118.6770	0.643	2	118.6770	0.414	2	118.0866	0.465	18	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[5,6a,6a]C[6a])(H)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[5,6a,6a]C[6a])(H){1|H<1>,6|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2){1|H<1>,7|C<3>}	119.8810	0.110	2	119.8810	0.012	2	119.5780	0.291	5	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[5,6a,6a]C[6a])(H)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a]C[6a])2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[5,6a,6a]C[6a])(H){1|H<1>,6|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a]C[6a])2{1|C<4>,1|H<1>,6|C<3>}	119.8960	0.000	1	119.3760	0.423	3	119.5780	0.291	5	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[5,6a,6a]C[6a])(H)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a]C[6a])2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[5,6a,6a]C[6a])(H){1|H<1>,6|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a]C[6a])2{2|H<1>,6|C<3>}	119.1160	0.663	2	119.3760	0.423	3	119.5780	0.291	5	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:H-1:	C[5,6a]-3:C[5,6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[5,6a,6a]C[6a])(H)	C[5,6a,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[5,6a,6a]C[6a])(H){1|H<1>,6|C<3>}	C[5,6a,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a]C[6a]){1|H<1>,7|C<3>}	119.9670	0.134	2	119.9670	0.018	2	119.9670	0.018	2	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(H)	C[5,6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(H){1|H<1>,6|C<3>}	C[5,6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2){1|H<1>,7|C<3>}	120.6930	0.000	1	120.6930	0.000	1	119.5835	0.656	4	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(H)	C[5,6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a]C[5,6a]C[6a])2	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(H){1|H<1>,6|C<3>}	C[5,6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a]C[5,6a]C[6a])2{1|C<4>,1|H<1>,6|C<3>}	119.6770	0.000	1	119.2137	0.163	3	119.5835	0.656	4	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(H)	C[5,6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a]C[5,6a]C[6a])2	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(H){1|H<1>,6|C<3>}	C[5,6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a]C[5,6a]C[6a])2{2|H<1>,6|C<3>}	118.9820	0.066	2	119.2137	0.163	3	119.5835	0.656	4	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]Cl)(Cl)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]Cl){2|Cl<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,4|C<3>}	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2){3|Cl<1>,1|S<2>,4|C<3>}	118.9380	0.000	1	118.9380	0.000	1	118.9380	0.000	1	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(C[5,6a]C[5,6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(C[5,6a]C[5,6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6a,6a]C[6a]2){1|B<4>,3|H<1>,4|C<3>}	116.5215	0.086	2	116.5215	0.007	2	116.5215	0.007	2	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5a,6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[5a,6a]H)(H)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[5a,6a]H)(H){5|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5,6a]C[5,6a]C[6a]){1|H<1>,7|C<3>}	116.9910	0.000	1	116.9910	0.000	1	116.9910	0.000	1	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a]){2|H<1>,6|C<3>}	117.8320	0.000	1	117.8320	0.000	1	117.8320	0.000	1	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[3x6a]-3:	C[5,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[3x6a]C[6a,6a]2)	C[5,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[3x6a]C[6a,6a]2){2|H<1>,6|C<3>}	117.2345	0.620	6	117.7200	0.193	26	117.7719	0.258	27	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[3x6a]-3:	C[5,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[3x6a]C[6a,6a]2)	C[5,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[3x6a]C[6a,6a]2){2|H<1>,6|C<3>}	117.8657	0.237	20	117.7200	0.193	26	117.7719	0.258	27	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[3x6a]-3:	C[5,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[3x6a]C[6a,6a]2)	C[5,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5,6a,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[3x6a]C[6a,6a]2){1|H<1>,7|C<3>}	119.1200	0.000	1	119.1200	0.000	1	117.7719	0.258	27	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5,6a,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[5,6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[5,6a,6a]C[5,6a]2)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[5,6a]H)(H){1|C<4>,4|C<3>}	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[5,6a,6a]C[5,6a]2){2|C<4>,2|H<1>,4|C<3>}	117.1703	0.474	6	117.1703	0.225	6	117.1703	0.225	6	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a,6a]C[6a]2){3|H<1>,5|C<3>}	117.8980	0.000	1	117.8980	0.000	1	118.2511	1.028	185	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]C)(H)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<2>,1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]C)(H){1|C<2>,4|C<3>}	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2){1|C<2>,1|N<3>,2|H<1>,4|C<3>}	119.6000	0.000	1	118.7200	0.174	9	118.2511	1.028	185	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]C)(H)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2){4|C<3>,4|H<1>}	118.6100	0.273	8	118.7200	0.174	9	118.2511	1.028	185	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2){4|C<3>,4|H<1>}	118.3798	0.278	4	118.1243	1.107	140	118.2511	1.028	185	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2){4|C<3>,4|H<1>}	118.2425	0.996	2	118.1243	1.107	140	118.2511	1.028	185	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2){4|C<3>,4|H<1>}	118.5160	0.000	1	118.1243	1.107	140	118.2511	1.028	185	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2){1|N<2>,3|C<3>,4|H<1>}	118.1260	0.000	1	118.1243	1.107	140	118.2511	1.028	185	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2){4|C<3>,4|H<1>}	118.1856	0.597	16	118.1243	1.107	140	118.2511	1.028	185	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2){4|C<3>,4|H<1>}	118.0550	1.295	43	118.1243	1.107	140	118.2511	1.028	185	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	118.8810	0.000	1	118.1243	1.107	140	118.2511	1.028	185	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	118.6450	0.000	1	118.1243	1.107	140	118.2511	1.028	185	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2){1|N<3>,3|H<1>,4|C<3>}	119.0060	4.555	2	118.1243	1.107	140	118.2511	1.028	185	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2){3|H<1>,5|C<3>}	118.9423	0.822	3	118.1243	1.107	140	118.2511	1.028	185	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2){4|C<3>,4|H<1>}	118.5064	0.577	44	118.1243	1.107	140	118.2511	1.028	185	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|N<3>,4|C<3>}	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2){1|C<2>,1|N<3>,2|H<1>,4|C<3>}	117.3910	0.000	1	118.1243	1.107	140	118.2511	1.028	185	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|N<3>,4|C<3>}	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	118.9530	0.000	1	118.1243	1.107	140	118.2511	1.028	185	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|N<3>,4|C<3>}	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2){1|N<3>,3|H<1>,4|C<3>}	116.5835	0.797	2	118.1243	1.107	140	118.2511	1.028	185	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){5|C<3>}	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	117.0506	0.385	16	118.1243	1.107	140	118.2511	1.028	185	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){5|C<3>}	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2){3|H<1>,5|C<3>}	117.2315	0.021	2	118.1243	1.107	140	118.2511	1.028	185	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]O[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|F<1>,4|C<3>}	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]O[6a]){1|F<1>,2|H<1>,4|C<3>}	117.8800	0.000	1	117.8800	0.000	1	118.2511	1.028	185	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a,6a]C[6a]2){3|H<1>,5|C<3>}	118.9125	0.756	2	118.9125	0.571	2	118.2511	1.028	185	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]O)(H)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2){4|C<3>,4|H<1>}	118.9335	0.250	2	118.9335	0.062	2	118.2511	1.028	185	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]O[6a]O)(H)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]O[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]O[6a]O)(H){4|C<3>}	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]O[6a]){1|F<1>,2|H<1>,4|C<3>}	117.5670	0.000	1	117.5670	0.000	1	118.2511	1.028	185	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2){1|N<2>,3|C<3>,4|H<1>}	119.1320	0.000	1	119.0883	0.213	22	118.2511	1.028	185	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|N<2>,4|H<1>}	119.1129	0.417	14	119.0883	0.213	22	118.2511	1.028	185	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2){2|N<2>,3|C<3>,3|H<1>}	119.8460	0.082	2	119.0883	0.213	22	118.2511	1.028	185	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|N<2>,4|C<3>}	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2){2|N<2>,3|C<3>,3|H<1>}	118.4455	0.083	2	119.0883	0.213	22	118.2511	1.028	185	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H){1|H<1>,2|N<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|N<2>,4|H<1>}	118.8827	0.212	3	119.0883	0.213	22	118.2511	1.028	185	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5a,6a]C[5,6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a,6a]C[6a]2){3|H<1>,5|C<3>}	118.2110	0.000	1	118.2110	0.000	1	118.2511	1.028	185	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2){1|O<2>,3|H<1>,4|C<3>}	117.0747	0.219	3	117.2278	0.066	6	118.2511	1.028	185	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2){4|C<3>,4|H<1>}	117.3810	0.214	3	117.2278	0.066	6	118.2511	1.028	185	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a]){2|H<1>,6|C<3>}	118.6630	0.000	1	118.6630	0.000	1	118.6630	0.000	1	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])2{2|H<1>,6|C<3>}	118.5783	0.139	3	118.5783	0.019	3	118.5783	0.019	3	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])2(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H){1|C<4>,1|O<1>,3|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])2(C[5,6a]C[6a]C[5]){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	116.7390	0.160	2	116.7390	0.026	2	116.7390	0.026	2	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	116.9140	0.000	1	116.9140	0.000	1	116.9140	0.000	1	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[3,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[3,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[3,5]O)(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a,6a](C[5,6a]C[3,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	119.9000	0.537	2	119.9000	0.289	2	119.8122	0.463	90	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|N<3>,4|C<3>,4|H<1>}	118.4645	0.169	2	118.4645	0.029	2	119.8122	0.463	90	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]N)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]N)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|N<2>,1|N<3>,3|C<3>,4|H<1>}	119.6530	0.134	2	119.6530	0.018	2	119.8122	0.463	90	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	120.0490	0.403	63	120.0403	0.166	65	119.8122	0.463	90	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	119.7650	0.618	2	120.0403	0.166	65	119.8122	0.463	90	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a,6a](C[5,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	120.0450	0.314	4	120.0969	0.073	7	119.8122	0.463	90	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a,6a](C[5,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	120.3730	0.000	1	120.0969	0.073	7	119.8122	0.463	90	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a,6a](C[5,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	120.2280	0.000	1	120.0969	0.073	7	119.8122	0.463	90	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a,6a](C[5,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|O<1>,4|C<3>,4|H<1>}	119.8970	0.000	1	120.0969	0.073	7	119.8122	0.463	90	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5]C[6])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){4|C<3>,4|H<1>}	119.2200	1.072	4	119.0916	0.945	5	119.8122	0.463	90	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5]C[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	118.5780	0.000	1	119.0916	0.945	5	119.8122	0.463	90	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,1|S<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|O<1>,3|C<3>,4|H<1>}	118.0650	0.000	1	118.0650	0.000	1	119.8122	0.463	90	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){4|C<3>,4|H<1>}	118.0950	0.000	1	118.0950	0.000	1	119.8122	0.463	90	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	118.5580	0.000	1	118.4292	0.049	5	119.8122	0.463	90	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){4|C<3>,4|H<1>}	118.3970	0.242	4	118.4292	0.049	5	119.8122	0.463	90	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:B[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(B[5]P[5]N)	C[6a](C[5,6a]C[5,6a,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(B[5]P[5]N){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<4>,2|C<3>}	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	116.2260	0.000	1	117.1950	1.878	2	117.1950	1.878	2	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:B[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(B[5]P[5]N)	C[6a](C[5,6a]C[5,6a,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(B[5]P[5]N){1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<4>,2|C<3>}	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2){1|N<3>,4|C<3>,4|H<1>}	118.1640	0.000	1	117.1950	1.878	2	117.1950	1.878	2	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(C[5]C[5]H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a,6a]C[6a,6a]C[6a])(H){2|H<1>,5|C<3>}	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])2{3|C<3>,5|H<1>}	117.0970	0.000	1	117.0970	0.000	1	119.2473	1.259	6	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(C[5]N[5]O){1|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	119.4050	0.259	3	119.6774	0.187	5	119.2473	1.259	6	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(C[5]N[5]O){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5]){1|O<1>,3|C<3>,4|H<1>}	120.0860	0.236	2	119.6774	0.187	5	119.2473	1.259	6	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]Br)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(Br)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]Br)(C[5]C[5]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(Br){2|H<1>,3|C<3>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){2|Br<1>,2|C<3>,4|H<1>}	116.4635	0.457	2	116.4635	0.209	2	116.4635	0.209	2	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]C[5])2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H){2|C<4>,3|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]C[5])2{2|C<3>,2|H<1>,4|C<4>}	115.8345	0.698	8	115.8345	0.487	8	116.1361	0.785	10	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]C[5])2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]C[5])2{2|C<3>,2|C<4>,2|H<1>,2|N<3>}	117.3425	0.125	2	117.3425	0.016	2	116.1361	0.785	10	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]2)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]2){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){4|C<3>,4|H<1>}	117.0700	0.112	2	117.0700	0.012	2	119.0529	0.558	386	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]Br)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]Br){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	C[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|Br<1>,3|C<3>,4|H<1>}	119.6610	0.000	1	119.6610	0.000	1	119.0529	0.558	386	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]C){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){4|C<3>,4|H<1>}	118.4625	0.046	2	118.4625	0.002	2	119.0529	0.558	386	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|N<3>,2|C<3>,5|H<1>}	117.7465	0.015	2	117.8459	0.162	10	119.0529	0.558	386	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,3|C<3>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Br<1>,1|B<3>,2|C<3>,4|H<1>}	117.4650	0.284	2	117.8459	0.162	10	119.0529	0.558	386	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Br<1>,1|B<3>,2|C<3>,4|H<1>}	117.9560	0.457	2	117.8459	0.162	10	119.0529	0.558	386	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|N<3>,1|N<4>,2|C<3>,4|H<1>}	118.6730	0.000	1	117.8459	0.162	10	119.0529	0.558	386	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,4|H<1>}	117.6980	0.255	2	117.8459	0.162	10	119.0529	0.558	386	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<4>,3|C<3>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|N<3>,1|N<4>,2|C<3>,4|H<1>}	118.0550	0.000	1	117.8459	0.162	10	119.0529	0.558	386	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|C<4>,1|N<2>,1|N<3>,2|C<3>,4|H<1>}	118.9724	0.282	8	119.0824	0.495	354	119.0529	0.558	386	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	119.0690	0.000	1	119.0824	0.495	354	119.0529	0.558	386	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){2|C<3>,2|N<2>,4|H<1>}	118.8851	0.626	28	119.0824	0.495	354	119.0529	0.558	386	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|N<2>,1|N<3>,2|C<3>,4|H<1>}	119.5763	0.306	4	119.0824	0.495	354	119.0529	0.558	386	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|N<2>,1|N<3>,2|C<3>,4|H<1>}	119.3843	0.221	4	119.0824	0.495	354	119.0529	0.558	386	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,4|H<1>}	119.1153	0.720	290	119.0824	0.495	354	119.0529	0.558	386	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<4>,3|C<3>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|N<3>,1|N<4>,2|C<3>,4|H<1>}	117.7795	0.220	2	119.0824	0.495	354	119.0529	0.558	386	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|N<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|N<3>,1|N<4>,2|C<3>,4|H<1>}	118.6105	0.104	2	119.0824	0.495	354	119.0529	0.558	386	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|N<2>,1|O<1>,2|C<3>,4|H<1>}	118.8797	0.592	9	119.0824	0.495	354	119.0529	0.558	386	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|N<2>,1|O<2>,3|C<3>,4|H<1>}	118.8510	0.000	1	119.0824	0.495	354	119.0529	0.558	386	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|O<3>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|N<3>,1|O<3>,3|C<3>,4|H<1>}	119.6690	0.322	2	119.0824	0.495	354	119.0529	0.558	386	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|Ni<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Ni<4>,1|N<2>,1|N<3>,2|C<3>,4|H<1>}	119.3660	0.000	1	119.0824	0.495	354	119.0529	0.558	386	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|N<3>,2|C<3>,5|H<1>}	118.0055	0.381	2	119.0824	0.495	354	119.0529	0.558	386	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]O){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|N<2>,1|O<1>,2|C<3>,4|H<1>}	119.8702	0.306	9	119.6109	0.403	14	119.0529	0.558	386	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]O){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){2|C<3>,2|O<2>,4|H<1>}	118.5383	0.120	3	119.6109	0.403	14	119.0529	0.558	386	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]O){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|O<1>,1|O<2>,3|C<3>,4|H<1>}	119.9880	0.000	1	119.6109	0.403	14	119.0529	0.558	386	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]O){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|O<1>,3|C<3>,4|H<1>}	120.1180	0.000	1	119.6109	0.403	14	119.0529	0.558	386	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]O[5]O){1|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a,6a]C[6a]2){1|O<1>,2|C<3>,2|H<1>,2|O<2>}	120.2050	0.000	1	120.2050	0.000	1	119.0529	0.558	386	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]Si[5]C)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]Si[5])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]Si[5]C){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5,6a,6a](C[5,6a]C[6a]Si[5])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){2|C<4>,3|C<3>,4|H<1>}	117.6460	0.382	2	117.6460	0.146	2	119.0529	0.558	386	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])2{3|C<3>,5|H<1>}	118.9530	0.000	1	118.9530	0.000	1	118.7634	1.046	7	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a,6a](C[6a,6a]C[6a]O[6a])(C[5,6a]C[6a]C[5])2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]O){3|C<3>,3|O<2>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a,6a](C[6a,6a]C[6a]O[6a])(C[5,6a]C[6a]C[5])2{1|C<4>,1|H<1>,1|O<1>,2|O<2>,3|C<3>}	119.6560	0.000	1	119.6560	0.000	1	118.7634	1.046	7	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]S)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]N[6a]C[5])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]S){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]N[6a]C[5]){1|S<4>,2|H<1>,4|C<3>}	117.3240	0.000	1	117.3240	0.000	1	118.7634	1.046	7	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	119.9330	0.000	1	119.7490	0.068	2	118.7634	1.046	7	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]N[5]O){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5]){1|O<1>,3|C<3>,4|H<1>}	119.5650	0.000	1	119.7490	0.068	2	118.7634	1.046	7	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]N[6a])(H)	C[5,6a,6a](C[6a,6a]C[6a]N[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|N<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]N[6a])(H){1|N<3>,1|O<1>,4|C<3>}	C[5,6a,6a](C[6a,6a]C[6a]N[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	118.1250	0.000	1	118.1250	0.000	1	118.7634	1.046	7	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]N[6a]C)(H)	C[5,6a,6a](C[6a,6a]C[6a]N[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|N<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]N[6a]C)(H){1|N<3>,1|O<1>,2|C<3>}	C[5,6a,6a](C[6a,6a]C[6a]N[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5]){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|N<3>}	117.7880	0.000	1	117.7880	0.000	1	118.7634	1.046	7	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(N[5]C[5]C){1|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a,6a]C[6a,6a]C[6a])(H){1|C<4>,1|H<1>,5|C<3>}	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	120.0140	0.000	1	120.0140	0.000	1	120.2795	0.141	2	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(N[5]C[5]H){1|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a,6a]C[6a,6a]C[6a])(H){2|H<1>,5|C<3>}	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5]){1|O<1>,3|C<3>,4|H<1>}	120.5450	0.000	1	120.5450	0.000	1	120.2795	0.141	2	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a,6a]C[6a]2){4|H<1>,5|C<3>}	120.1420	0.000	1	120.1420	0.000	1	119.8470	0.174	2	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]Se[5]C)	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]Se[5])(C[5,6a]C[6a]N[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]Se[5]C){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<4>,3|C<3>}	C[5,6a,6a](C[5,6a]C[6a]Se[5])(C[5,6a]C[6a]N[5])(C[6a,6a]C[6a]2){1|C<4>,3|C<3>,3|H<1>}	119.5520	0.000	1	119.5520	0.000	1	119.8470	0.174	2	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5]){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	119.7430	0.054	2	119.4429	0.574	7	119.5713	0.508	10	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	119.4397	0.788	3	119.4429	0.574	7	119.5713	0.508	10	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5]){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	119.1475	1.358	2	119.4429	0.574	7	119.5713	0.508	10	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[6a,6a]C[6a]N[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a,6a](C[6a,6a]C[6a]N[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	119.1860	0.000	1	119.1860	0.000	1	119.5713	0.508	10	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]H){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5]){1|O<1>,3|C<3>,4|H<1>}	120.2135	0.204	2	120.2135	0.042	2	119.5713	0.508	10	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:P[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]As[5]C)	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H)	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]As[5]C[6a])(C[5,6a]C[6a]P[5])	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]As[5]C){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H){1|As<3>,2|C<3>,2|C<4>}	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]As[5]C[6a])(C[5,6a]C[6a]P[5]){2|H<1>,3|C<3>,3|C<4>}	117.8125	0.077	2	117.8125	0.006	2	118.0616	0.418	5	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:P[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]C)	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H)	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]P[5])2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H){1|P<3>,2|C<3>,2|C<4>}	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]P[5])2{2|C<3>,2|H<1>,4|C<4>}	117.6900	0.000	1	117.6900	0.000	1	118.0616	0.418	5	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:P[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]Cl)	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H)	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]P[5])2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]Cl){1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H){1|Cl<1>,1|C<4>,1|P<4>,2|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]P[5])2{1|Cl<1>,2|C<4>,2|H<1>,4|C<3>}	119.2120	0.000	1	119.2120	0.000	1	118.0616	0.418	5	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:P[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]Te)	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H)	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]P[5])2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]Te){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H){1|Te<1>,1|C<4>,1|P<4>,2|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]P[5])2{1|Te<1>,2|C<3>,2|H<1>,4|C<4>}	117.7810	0.000	1	117.7810	0.000	1	118.0616	0.418	5	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:P[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]2)	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]P[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]2){1|H<1>,1|N<3>,1|O<1>,1|P<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,1|P<4>,2|C<3>}	C[5,6a,6a](C[5,6a]C[6a]P[5])2(C[6a,6a]C[6a]2){1|N<3>,1|O<1>,1|P<3>,2|C<3>,4|H<1>}	118.7170	0.000	1	118.9080	0.030	3	118.8644	0.105	5	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:P[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]2)	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]P[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]2){1|H<1>,1|P<4>,2|N<3>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,1|P<4>,2|C<3>}	C[5,6a,6a](C[5,6a]C[6a]P[5])2(C[6a,6a]C[6a]2){1|P<3>,2|C<3>,2|N<3>,4|H<1>}	118.9530	0.000	1	118.9080	0.030	3	118.8644	0.105	5	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:P[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]2)	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]P[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]2){1|Se<1>,1|H<1>,1|O<2>,1|P<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,1|P<4>,2|C<3>}	C[5,6a,6a](C[5,6a]C[6a]P[5])2(C[6a,6a]C[6a]2){1|Se<1>,1|O<2>,1|P<3>,2|C<3>,4|H<1>}	119.0540	0.000	1	118.9080	0.030	3	118.8644	0.105	5	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:P[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]I)	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]P[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]I){1|H<1>,2|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|I<1>,1|P<4>,2|C<3>}	C[5,6a,6a](C[5,6a]C[6a]P[5])2(C[6a,6a]C[6a]2){1|I<1>,2|C<3>,2|N<3>,4|H<1>}	118.3840	0.000	1	118.3840	0.000	1	118.8644	0.105	5	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:P[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]N)	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]P[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]N){1|H<1>,2|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<4>,2|C<3>}	C[5,6a,6a](C[5,6a]C[6a]P[5])2(C[6a,6a]C[6a]2){2|C<3>,3|N<3>,4|H<1>}	119.2140	0.000	1	119.2140	0.000	1	118.8644	0.105	5	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[5,6a]C[6a]N[5])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,4|C<3>}	C[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[5,6a]C[6a]N[5]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	117.8490	0.000	1	117.8490	0.000	1	118.9380	0.585	4	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[5,6a]C[6a]N[5])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[5,6a]C[6a]N[5]){1|O<1>,2|H<1>,4|C<3>}	119.3010	0.295	3	119.3010	0.087	3	118.9380	0.585	4	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:P[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(P[5]C[5]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H)	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]P[5])2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(P[5]C[5]P[5])(C[6a]C[6a]H){1|Fe<10>,1|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H){1|P<3>,2|C<3>,2|C<4>}	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]P[5])2{2|C<3>,2|H<1>,4|C<4>}	118.6770	0.000	1	118.6770	0.000	1	118.1715	0.511	2	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:P[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(P[5]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H)	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]P[5])2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(P[5]C[6a]P[5])(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H){1|C<4>,1|P<4>,3|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]P[5])2{2|H<1>,3|C<3>,4|C<4>}	117.6660	0.000	1	117.6660	0.000	1	118.1715	0.511	2	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:P[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(P[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(P[5]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2){3|C<3>,6|H<1>}	119.5460	0.283	4	119.5460	0.080	4	119.5460	0.080	4	118.7816	1.054	931	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(OC)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]O){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2){1|O<2>,3|H<1>,4|C<3>}	118.5273	0.257	3	118.5273	0.066	3	117.9578	1.342	4	118.0269	0.890	7	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]O)(OC)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]O){1|N<2>,2|O<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]O)(OC){1|O<2>,4|C<3>}	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[6a,6a]C[6a]2){1|H<1>,2|O<2>,4|C<3>}	116.2490	0.000	1	116.2490	0.000	1	117.9578	1.342	4	118.0269	0.890	7	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:S-2:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]S)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]Cl)(SC[5a])	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]S){2|Cl<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]Cl)(SC[5a]){1|Cl<1>,4|C<3>}	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2){1|Cl<1>,3|S<2>,4|C<3>}	117.2050	0.000	1	118.1190	0.636	3	118.1190	0.636	3	118.0269	0.890	7	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:S-2:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]S)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]Cl)(SC[5a])	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]S){2|Cl<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]Cl)(SC[5a]){1|Cl<1>,4|C<3>}	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2){3|Cl<1>,1|S<2>,4|C<3>}	118.4780	0.000	1	118.1190	0.636	3	118.1190	0.636	3	118.0269	0.890	7	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:S-2:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]S)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]Cl)(SC[5a])	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]S){2|Cl<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]Cl)(SC[5a]){1|S<2>,4|C<3>}	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2){1|Cl<1>,3|S<2>,4|C<3>}	118.6740	0.000	1	118.1190	0.636	3	118.1190	0.636	3	118.0269	0.890	7	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|H<1>,8|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|Br<1>,2|H<1>,8|C<3>}	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])2{2|H<1>,6|C<3>}	118.8415	1.139	2	119.1027	0.853	3	119.1027	0.853	3	119.2149	1.756	9	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|H<1>,8|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])2{2|H<1>,6|C<3>}	119.6250	0.000	1	119.1027	0.853	3	119.1027	0.853	3	119.2149	1.756	9	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]2)(C[6a]C[6a]C){3|H<1>,6|C<3>}	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2){3|H<1>,5|C<3>}	119.2990	0.000	1	119.2990	0.000	1	119.2990	0.000	1	119.2149	1.756	9	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:C-3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]C)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a,6a]C[6a,6a]C[6a])(COO)	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]C)(C[5]N[5]O){1|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a,6a]C[6a,6a]C[6a])(COO){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5]){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	119.8760	0.173	2	120.0183	0.316	4	120.0183	0.316	4	119.2149	1.756	9	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:C-3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]C)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a,6a]C[6a,6a]C[6a])(COO)	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]C)(C[5]N[5]O){1|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a,6a]C[6a,6a]C[6a])(COO){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5]){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	120.1605	0.916	2	120.0183	0.316	4	120.0183	0.316	4	119.2149	1.756	9	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]N)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]Cl)(NOO)	C[5,6a,6a](C[6a,6a]C[6a]N[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]N)(N[5]C[5]C){1|Cl<1>,1|N<2>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]Cl)(NOO){1|C<4>,1|N<3>,3|C<3>}	C[5,6a,6a](C[6a,6a]C[6a]N[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5]){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|N<3>}	116.2540	0.000	1	116.2540	0.000	1	116.2540	0.000	1	119.2149	1.756	9	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a,6a]-3:C[5,6,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6,6]C[5,6,6]C[3x6])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a,6a]C[5,6,6])(C[6a]C[6a]H)(CH3)	C[5,6a,6a](C[5,6a]C[5,6,6]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6,6]C[5,6,6]C[3x6])(C[6a]C[6a]C){1|H<1>,3|C<3>,4|C<4>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6,6])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a,6a](C[5,6a]C[5,6,6]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|H<1>,4|C<4>}	117.9185	0.172	2	117.9185	0.030	2	117.9185	0.030	2	118.6994	0.738	47	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:C-4:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[5,6a,6a]C[6a])(CH3)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a]C[6a])2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[5,6a,6a]C[6a])(CH3){1|H<1>,6|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a]C[6a])2{1|C<4>,1|H<1>,6|C<3>}	119.3860	0.000	1	119.3860	0.000	1	119.3860	0.000	1	118.6994	0.738	47	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:C-4:	C[5a,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(CH3)	C[5,6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a]C[5,6a]C[6a])2	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(CH3){1|H<1>,6|C<3>}	C[5,6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a]C[5,6a]C[6a])2{1|C<4>,1|H<1>,6|C<3>}	119.0830	0.000	1	119.0830	0.000	1	119.0830	0.000	1	118.6994	0.738	47	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]C)(CH3)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){2|C<4>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]C)(CH3){1|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2){1|H<1>,3|C<4>,4|C<3>}	119.2730	0.000	1	119.2730	0.000	1	118.4732	0.546	34	118.6994	0.738	47	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(CH3)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(CH3){1|C<4>,4|C<3>}	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2){1|H<1>,3|C<4>,4|C<3>}	117.8130	0.000	1	118.4012	0.482	32	118.4732	0.546	34	118.6994	0.738	47	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(CH3)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(CH3){1|C<4>,4|C<3>}	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2){4|C<3>,4|C<4>}	118.6715	0.449	4	118.4012	0.482	32	118.4732	0.546	34	118.6994	0.738	47	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(CH3)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	118.1091	0.457	19	118.4012	0.482	32	118.4732	0.546	34	118.6994	0.738	47	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(CH3)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	118.1690	0.171	2	118.4012	0.482	32	118.4732	0.546	34	118.6994	0.738	47	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(CH3)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	119.1388	0.723	5	118.4012	0.482	32	118.4732	0.546	34	118.6994	0.738	47	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(CH3)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	120.2350	0.000	1	118.4012	0.482	32	118.4732	0.546	34	118.6994	0.738	47	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(CCHH)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]C){1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(CCHH){1|H<1>,1|N<2>,3|C<3>}	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]2){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	119.9780	0.000	1	119.9780	0.000	1	118.4732	0.546	34	118.6994	0.738	47	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]C)(C[5]C[5]2)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]C)(CH3)	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]C[5])2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]C)(C[5]C[5]2){1|C<4>,1|O<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]C)(CH3){5|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]C[5])2{1|O<1>,2|C<4>,5|C<3>}	118.3895	0.108	2	118.3895	0.012	2	119.6250	0.696	8	118.6994	0.738	47	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]C)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]C)(CH3)	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]C[5])2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]C)(C[5]C[5]O){1|C<4>,1|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]C)(CH3){1|O<1>,4|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]C[5])2{2|C<4>,2|O<1>,4|C<3>}	119.8265	0.230	4	120.0368	0.158	6	119.6250	0.696	8	118.6994	0.738	47	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]C)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]C)(CH3)	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]C[5])2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]C)(C[5]C[5]O){1|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]C)(CH3){1|O<1>,4|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]C[5])2{1|O<1>,2|C<4>,5|C<3>}	120.4575	0.317	2	120.0368	0.158	6	119.6250	0.696	8	118.6994	0.738	47	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]C)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(CC3)	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]C)(C[5]O[5]O){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(CC3){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a,6a]C[6a]2){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	119.4760	0.000	1	119.4760	0.000	1	119.4760	0.000	1	118.6994	0.738	47	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:B[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(B[5]N[5]FF)	C[6a](C[5,6a]C[5,6a,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]N[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(B[5]N[5]FF){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<4>,2|C<3>,2|F<1>}	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]N[5])(C[6a,6a]C[6a]2){2|C<3>,2|C<4>,2|F<1>,4|H<1>}	116.9580	0.000	1	116.9580	0.000	1	117.2660	0.190	2	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:B[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(B[5]P[5]HN)	C[6a](C[5,6a]C[5,6a,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(B[5]P[5]HN){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]B[5])(C[6a]C[6a]H)(H){1|N<3>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	117.5740	0.000	1	117.5740	0.000	1	117.2660	0.190	2	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6,6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6,6a]C[6,6a]2)(H)	C[5,6a,6a](C[6a,6a]C[6,6a]C[6a])(C[5,6a]C[6a]C[5])2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6,6a]H)(C[5]C[5]HH){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6,6a]C[6,6a]2)(H){1|B<3>,1|C<4>,2|H<1>,4|C<3>}	C[5,6a,6a](C[6a,6a]C[6,6a]C[6a])(C[5,6a]C[6a]C[5])2{1|B<3>,2|C<3>,7|H<1>}	118.8950	0.000	1	118.8950	0.000	1	119.1925	0.177	2	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6,6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6,6a])(C[5,6a]C[6a]C[5])2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6,6a]H)(C[5]C[5]HH){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6,6a])(C[5,6a]C[6a]C[5])2{1|N<2>,1|N<3>,2|C<3>,6|H<1>}	119.4900	0.000	1	119.4900	0.000	1	119.1925	0.177	2	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5,6a,6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5])2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(C[5]C[5]HH){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a,6a]C[6a,6a]C[6a])(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[5,6a,6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5])2{2|C<3>,2|N<2>,6|H<1>}	119.4289	0.409	10	119.4289	0.167	10	119.2877	0.238	14	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6,6a])(C[5,6a]C[6a]C[5])2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(C[5]C[5]HH){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a,6a]C[6a,6a]C[6a])(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6,6a])(C[5,6a]C[6a]C[5])2{1|N<2>,1|N<3>,2|C<3>,6|H<1>}	119.1150	0.000	1	119.1150	0.000	1	119.2877	0.238	14	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(C[5]C[5]HH){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a,6a]C[6a,6a]C[6a])(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])2{1|N<2>,1|N<3>,2|C<3>,6|H<1>}	119.6200	0.000	1	118.8747	0.424	3	119.2877	0.238	14	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(C[5]C[5]HH){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a,6a]C[6a,6a]C[6a])(H){1|C<4>,3|H<1>,4|C<3>}	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])2{3|C<3>,7|H<1>}	118.5020	0.124	2	118.8747	0.424	3	119.2877	0.238	14	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[4,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[4,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[4,6a]H)(H)	C[5,6a,6a](C[4,6a,6a]C[4,6a]2)(C[5,6a]C[6a]C[5])2	C[5,6a](C[5,6a,6a]C[4,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[4,6a]H)(H){1|C<4>,1|P<3>,2|C<3>,2|H<1>}	C[5,6a,6a](C[4,6a,6a]C[4,6a]2)(C[5,6a]C[6a]C[5])2{1|P<3>,2|C<3>,6|H<1>}	115.9475	0.208	4	116.2228	0.214	12	116.2228	0.214	12	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[4,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[4,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[4,6a]H)(H)	C[5,6a,6a](C[4,6a,6a]C[4,6a]2)(C[5,6a]C[6a]C[5])2	C[5,6a](C[5,6a,6a]C[4,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[4,6a]H)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[4,6a,6a]C[4,6a]2)(C[5,6a]C[6a]C[5])2{1|P<4>,2|C<3>,6|H<1>}	116.3605	0.503	8	116.2228	0.214	12	116.2228	0.214	12	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]C[5])2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H){1|As<2>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]C[5])2{1|As<2>,1|P<4>,2|C<3>,6|H<1>}	117.9453	0.917	3	118.1358	0.948	55	118.1429	0.921	57	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]C[5])2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H){1|As<3>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]C[5])2{1|As<3>,1|P<3>,2|C<3>,6|H<1>}	118.2940	0.267	2	118.1358	0.948	55	118.1429	0.921	57	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]C[5])2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H){1|As<3>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]C[5])2{1|As<3>,1|P<4>,2|C<3>,6|H<1>}	118.4510	0.000	1	118.1358	0.948	55	118.1429	0.921	57	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]C[5])2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]C[5])2{1|B<4>,1|P<4>,2|C<3>,6|H<1>}	117.7450	0.000	1	118.1358	0.948	55	118.1429	0.921	57	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]C[5])2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H){1|C<4>,1|P<2>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]C[5])2{1|P<2>,1|P<4>,2|C<3>,6|H<1>}	118.2180	0.000	1	118.1358	0.948	55	118.1429	0.921	57	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]C[5])2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H){1|C<4>,1|P<3>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]C[5])2{1|As<3>,1|P<3>,2|C<3>,6|H<1>}	117.9760	0.025	2	118.1358	0.948	55	118.1429	0.921	57	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]C[5])2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H){1|C<4>,1|P<3>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]C[5])2{1|P<3>,1|P<4>,2|C<3>,6|H<1>}	118.0233	0.369	3	118.1358	0.948	55	118.1429	0.921	57	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]C[5])2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H){1|C<4>,1|P<3>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]C[5])2{2|C<3>,2|P<3>,6|H<1>}	117.7865	0.173	2	118.1358	0.948	55	118.1429	0.921	57	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]C[5])2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]C[5])2{1|As<2>,1|P<4>,2|C<3>,6|H<1>}	119.2950	1.040	3	118.1358	0.948	55	118.1429	0.921	57	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]C[5])2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]C[5])2{1|As<3>,1|P<4>,2|C<3>,6|H<1>}	118.8230	0.000	1	118.1358	0.948	55	118.1429	0.921	57	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]C[5])2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]C[5])2{1|B<4>,1|P<4>,2|C<3>,6|H<1>}	118.5150	0.000	1	118.1358	0.948	55	118.1429	0.921	57	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]C[5])2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]C[5])2{1|C<4>,1|P<4>,2|C<3>,6|H<1>}	117.9030	0.216	2	118.1358	0.948	55	118.1429	0.921	57	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]C[5])2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]C[5])2{1|Ga<4>,1|P<4>,2|C<3>,6|H<1>}	118.7970	0.000	1	118.1358	0.948	55	118.1429	0.921	57	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]C[5])2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]C[5])2{1|In<4>,1|P<4>,2|C<3>,6|H<1>}	119.2930	0.000	1	118.1358	0.948	55	118.1429	0.921	57	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]C[5])2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]C[5])2{1|P<2>,1|P<4>,2|C<3>,6|H<1>}	118.6630	0.000	1	118.1358	0.948	55	118.1429	0.921	57	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]C[5])2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]C[5])2{1|P<3>,1|P<4>,2|C<3>,6|H<1>}	119.0443	0.279	3	118.1358	0.948	55	118.1429	0.921	57	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]C[5])2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]C[5])2{2|C<3>,2|P<4>,6|H<1>}	118.3150	1.474	8	118.1358	0.948	55	118.1429	0.921	57	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]C[5])2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]C[5])2{4|C<3>,6|H<1>}	116.8885	0.554	10	118.1358	0.948	55	118.1429	0.921	57	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]C[5])2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H){1|Ga<4>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]C[5])2{1|Ga<4>,1|P<4>,2|C<3>,6|H<1>}	118.6720	0.000	1	118.1358	0.948	55	118.1429	0.921	57	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]C[5])2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H){1|In<4>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]C[5])2{1|In<4>,1|P<4>,2|C<3>,6|H<1>}	118.8010	0.000	1	118.1358	0.948	55	118.1429	0.921	57	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]C[5])2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H){1|Si<4>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]C[5])2{1|Si<4>,1|Si<5>,2|C<3>,6|H<1>}	118.1980	0.000	1	118.1358	0.948	55	118.1429	0.921	57	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]C[5])2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H){1|Si<4>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]C[5])2{2|Si<4>,2|C<3>,6|H<1>}	118.7470	0.247	2	118.1358	0.948	55	118.1429	0.921	57	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]C[5])2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H){1|Si<5>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]C[5])2{1|Si<4>,1|Si<5>,2|C<3>,6|H<1>}	118.8810	0.000	1	118.1358	0.948	55	118.1429	0.921	57	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]C[5])2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H){1|Si<6>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]C[5])2{2|Si<6>,2|C<3>,6|H<1>}	118.8250	0.000	1	118.1358	0.948	55	118.1429	0.921	57	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]C[5])2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]C[5])2{1|C<4>,1|P<4>,2|C<3>,6|H<1>}	117.9230	0.518	2	118.1358	0.948	55	118.1429	0.921	57	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]P[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]P[5])	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]P[5]HH){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]P[5]){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	117.9360	0.000	1	118.3380	0.323	2	118.1429	0.921	57	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]P[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]P[5])	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]P[5]HH){1|Pt<4>,1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]P[5]){1|Pt<4>,2|C<4>,3|C<3>,4|H<1>}	118.7400	0.000	1	118.3380	0.323	2	118.1429	0.921	57	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]2H)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|C<4>,2|C<3>,7|H<1>}	118.6580	0.089	2	119.1663	0.366	8	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]2H)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]2H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){2|C<3>,2|C<4>,6|H<1>}	119.3357	0.611	6	119.1663	0.366	8	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){2|C<3>,2|C<4>,6|H<1>}	118.2260	0.023	2	118.2260	0.001	2	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]CN)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]CN){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|C<4>,1|N<2>,1|N<3>,2|C<3>,4|H<1>}	118.8256	0.478	8	118.8152	0.201	9	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]CN)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]CN){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	118.7320	0.000	1	118.8152	0.201	9	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]CO)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]CO){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|N<2>,1|O<2>,3|C<3>,4|H<1>}	119.5130	0.000	1	119.2648	0.052	4	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]CO)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]CO){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<3>,4|C<3>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|N<3>,1|O<3>,3|C<3>,4|H<1>}	119.2835	0.105	2	119.2648	0.052	4	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]CO)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]CO){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|O<1>,1|O<2>,3|C<3>,4|H<1>}	118.9790	0.000	1	119.2648	0.052	4	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){2|C<3>,2|O<2>,6|H<1>}	119.0260	0.107	4	118.9034	0.028	8	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|O<2>,3|C<3>,6|H<1>}	118.7807	0.114	4	118.9034	0.028	8	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,4|H<1>,5|C<3>}	119.2580	0.000	1	119.2580	0.000	1	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|C<4>,2|C<3>,7|H<1>}	118.9795	0.158	2	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|O<2>,2|C<3>,7|H<1>}	118.5080	0.000	1	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Al<4>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Al<4>,1|P<4>,2|C<3>,6|H<1>}	118.2720	0.000	1	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Al<5>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Al<5>,1|P<4>,2|C<3>,6|H<1>}	117.8425	0.093	2	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|As<1>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|As<1>,1|P<3>,2|C<3>,6|H<1>}	118.2690	0.086	2	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|As<1>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|As<1>,1|P<4>,2|C<3>,6|H<1>}	119.2775	0.408	2	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|As<2>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|As<2>,1|P<3>,2|C<3>,6|H<1>}	118.4030	0.000	1	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|As<2>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|As<2>,1|P<4>,2|C<3>,6|H<1>}	118.7338	0.498	4	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|As<3>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|As<3>,1|Br<1>,2|C<3>,6|H<1>}	118.9680	0.000	2	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|As<3>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|As<3>,1|P<3>,2|C<3>,6|H<1>}	118.5667	0.462	6	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|B<3>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|B<3>,1|N<3>,2|C<3>,6|H<1>}	118.9255	0.221	4	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|B<4>,1|N<4>,2|C<3>,6|H<1>}	118.4460	0.000	1	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Bi<5>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Bi<5>,1|P<4>,2|C<3>,6|H<1>}	118.6755	0.309	2	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|As<3>,1|Br<1>,2|C<3>,6|H<1>}	119.4030	0.000	2	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Br<1>,1|C<4>,2|C<3>,6|H<1>}	118.9798	0.405	5	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Br<1>,1|I<1>,2|C<3>,6|H<1>}	118.3430	0.000	1	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Br<1>,1|P<3>,2|C<3>,6|H<1>}	119.2292	0.330	6	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Br<1>,1|S<2>,2|C<3>,6|H<1>}	119.0845	0.319	2	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Br<1>,1|S<3>,2|C<3>,6|H<1>}	119.2800	1.723	2	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Br<1>,1|Se<2>,2|C<3>,6|H<1>}	119.2535	0.360	2	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Br<1>,1|Se<3>,2|C<3>,6|H<1>}	119.3370	0.000	1	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Br<1>,2|C<3>,7|H<1>}	117.4540	0.000	1	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){2|Br<1>,2|C<3>,6|H<1>}	119.2580	0.194	2	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Br<2>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Br<2>,1|Sn<5>,2|C<3>,6|H<1>}	119.5220	0.000	1	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|I<1>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Br<1>,1|I<1>,2|C<3>,6|H<1>}	119.3430	0.000	1	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|I<1>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|I<1>,1|S<2>,2|C<3>,6|H<1>}	120.2380	0.000	1	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|I<1>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Se<2>,1|I<1>,2|C<3>,6|H<1>}	119.0340	0.000	1	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|I<1>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){2|C<3>,2|I<1>,6|H<1>}	118.6885	0.217	2	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|B<3>,1|N<3>,2|C<3>,6|H<1>}	118.8277	0.565	4	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	117.9517	0.029	3	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|N<3>,1|N<4>,2|C<3>,6|H<1>}	118.6550	0.000	1	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|N<3>,3|C<3>,6|H<1>}	118.3330	0.071	4	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|B<4>,1|N<4>,2|C<3>,6|H<1>}	119.3200	0.000	1	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|N<3>,1|N<4>,2|C<3>,6|H<1>}	118.6660	0.000	1	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|P<3>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|As<1>,1|P<3>,2|C<3>,6|H<1>}	118.8125	0.056	2	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|P<3>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|As<2>,1|P<3>,2|C<3>,6|H<1>}	118.9050	0.000	1	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|P<3>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|As<3>,1|P<3>,2|C<3>,6|H<1>}	118.9380	0.291	6	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|P<3>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Br<1>,1|P<3>,2|C<3>,6|H<1>}	119.1380	0.658	6	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|P<3>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|P<3>,1|P<4>,2|C<3>,6|H<1>}	118.8547	0.399	4	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|P<3>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Sb<4>,1|P<3>,2|C<3>,6|H<1>}	118.9440	0.000	1	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|P<3>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Si<4>,1|P<3>,2|C<3>,6|H<1>}	118.9050	0.189	3	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|P<3>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Sn<4>,1|P<3>,2|C<3>,6|H<1>}	119.2013	0.288	3	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|P<3>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Te<2>,1|P<3>,2|C<3>,6|H<1>}	119.2220	0.000	1	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|P<3>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){2|C<3>,2|P<3>,6|H<1>}	118.1871	1.139	14	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Al<4>,1|P<4>,2|C<3>,6|H<1>}	119.2390	0.000	1	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Al<5>,1|P<4>,2|C<3>,6|H<1>}	119.0915	0.175	2	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|As<1>,1|P<4>,2|C<3>,6|H<1>}	118.5925	0.489	2	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|As<2>,1|P<4>,2|C<3>,6|H<1>}	119.4013	0.533	4	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Bi<5>,1|P<4>,2|C<3>,6|H<1>}	119.3720	0.109	2	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Hg<4>,1|P<4>,2|C<3>,6|H<1>}	119.0200	0.000	1	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|P<3>,1|P<4>,2|C<3>,6|H<1>}	118.6848	0.197	4	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Sb<3>,1|P<4>,2|C<3>,6|H<1>}	118.6900	0.493	5	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Sb<4>,1|P<4>,2|C<3>,6|H<1>}	119.0921	0.277	7	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Si<4>,1|P<4>,2|C<3>,6|H<1>}	119.2159	0.243	7	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Sn<5>,1|P<4>,2|C<3>,6|H<1>}	119.0260	0.445	7	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Sn<6>,1|P<4>,2|C<3>,6|H<1>}	119.4080	0.512	2	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Te<3>,1|P<4>,2|C<3>,6|H<1>}	118.8111	1.197	10	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Te<5>,1|P<4>,2|C<3>,6|H<1>}	119.6418	0.042	4	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){2|C<3>,2|P<4>,6|H<1>}	118.8358	0.615	40	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Br<1>,1|S<2>,2|C<3>,6|H<1>}	118.9675	1.095	2	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|I<1>,1|S<2>,2|C<3>,6|H<1>}	119.4280	0.000	1	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|S<2>,1|S<3>,2|C<3>,6|H<1>}	118.5545	0.910	2	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Se<2>,1|S<2>,2|C<3>,6|H<1>}	119.3565	0.190	2	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Se<3>,1|S<2>,2|C<3>,6|H<1>}	118.5390	0.665	2	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|S<3>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Br<1>,1|S<3>,2|C<3>,6|H<1>}	122.6100	0.076	2	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|S<3>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|S<2>,1|S<3>,2|C<3>,6|H<1>}	119.0785	0.278	2	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|S<3>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Sn<5>,1|S<3>,2|C<3>,6|H<1>}	119.5307	0.547	3	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|S<3>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Sn<6>,1|S<3>,2|C<3>,6|H<1>}	119.7740	0.037	2	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|S<3>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){2|C<3>,2|S<3>,6|H<1>}	118.8578	0.176	4	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Br<1>,2|C<3>,7|H<1>}	118.7600	0.000	1	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|C<4>,2|C<3>,7|H<1>}	119.6310	0.000	1	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){2|C<3>,8|H<1>}	118.9425	0.149	6	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|N<3>,3|C<3>,6|H<1>}	118.9640	0.393	4	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|O<2>,3|C<3>,6|H<1>}	119.1935	0.098	4	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){4|C<3>,6|H<1>}	117.3421	0.467	47	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){2|Cl<1>,2|C<3>,6|H<1>}	119.1165	0.364	2	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Hg<4>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Hg<4>,1|P<4>,2|C<3>,6|H<1>}	118.7460	0.000	1	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Pt<4>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Pt<4>,1|C<4>,2|C<3>,6|H<1>}	118.5970	0.000	1	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Sb<3>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Sb<3>,1|P<4>,2|C<3>,6|H<1>}	119.3702	0.488	5	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Sb<4>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Sb<4>,1|P<3>,2|C<3>,6|H<1>}	118.9660	0.000	1	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Sb<4>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Sb<4>,1|P<4>,2|C<3>,6|H<1>}	118.9180	0.396	7	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Sb<4>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Sb<4>,1|Te<3>,2|C<3>,6|H<1>}	119.1130	0.000	2	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Br<1>,1|Se<2>,2|C<3>,6|H<1>}	119.5690	1.250	2	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Se<2>,1|I<1>,2|C<3>,6|H<1>}	118.4540	0.000	1	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Se<2>,1|S<2>,2|C<3>,6|H<1>}	119.5290	0.789	2	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Se<2>,1|Se<3>,2|C<3>,6|H<1>}	119.7115	1.111	2	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){2|Se<2>,2|C<3>,6|H<1>}	117.9153	0.911	4	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Se<3>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Br<1>,1|Se<3>,2|C<3>,6|H<1>}	118.7430	0.000	1	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Se<3>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Se<2>,1|Se<3>,2|C<3>,6|H<1>}	119.3045	0.342	2	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Se<3>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Se<3>,1|S<2>,2|C<3>,6|H<1>}	118.4570	1.209	2	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Se<3>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Se<3>,1|Sn<5>,2|C<3>,6|H<1>}	120.2520	0.878	2	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Si<3>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){2|Si<3>,2|C<3>,6|H<1>}	118.1400	0.000	1	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Si<4>,1|P<3>,2|C<3>,6|H<1>}	118.5860	0.125	3	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Si<4>,1|P<4>,2|C<3>,6|H<1>}	118.6174	0.237	7	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Sn<2>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){2|Sn<2>,2|C<3>,6|H<1>}	118.8575	0.115	2	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Sn<3>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){2|Sn<3>,2|C<3>,6|H<1>}	118.9795	0.144	4	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Sn<4>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Sn<4>,1|P<3>,2|C<3>,6|H<1>}	118.1427	0.357	3	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Sn<4>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){2|Sn<4>,2|C<3>,6|H<1>}	118.7722	0.676	6	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Sn<5>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Br<2>,1|Sn<5>,2|C<3>,6|H<1>}	119.1700	0.000	1	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Sn<5>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Se<3>,1|Sn<5>,2|C<3>,6|H<1>}	118.9860	0.380	2	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Sn<5>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Sn<5>,1|P<4>,2|C<3>,6|H<1>}	118.6677	0.651	7	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Sn<5>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Sn<5>,1|S<3>,2|C<3>,6|H<1>}	118.8323	0.193	3	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Sn<5>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Sn<5>,1|Te<3>,2|C<3>,6|H<1>}	118.8780	0.000	1	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Sn<6>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Sn<6>,1|P<4>,2|C<3>,6|H<1>}	118.8465	0.108	2	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Sn<6>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Sn<6>,1|S<3>,2|C<3>,6|H<1>}	119.1500	0.279	2	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Te<2>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Te<2>,1|P<3>,2|C<3>,6|H<1>}	117.9020	0.000	1	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Te<3>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Sb<4>,1|Te<3>,2|C<3>,6|H<1>}	118.9450	0.000	2	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Te<3>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Sn<5>,1|Te<3>,2|C<3>,6|H<1>}	119.6810	0.000	1	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Te<3>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Te<3>,1|P<4>,2|C<3>,6|H<1>}	118.4959	1.267	9	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Te<5>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Te<5>,1|P<4>,2|C<3>,6|H<1>}	118.8160	0.262	4	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Br<1>,1|C<4>,2|C<3>,6|H<1>}	118.6820	0.458	5	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	118.4920	0.226	3	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|C<4>,2|C<3>,7|H<1>}	117.4510	0.000	1	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Pt<4>,1|C<4>,2|C<3>,6|H<1>}	118.9470	0.000	1	118.7102	0.715	406	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HN)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HN){1|N<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){2|C<3>,2|N<4>,6|H<1>}	119.2490	0.254	5	119.2490	0.065	5	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HO)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HO){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|O<2>,2|C<3>,7|H<1>}	118.5910	0.000	1	118.5910	0.000	1	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]N[5]CC)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]N[5]CC){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a,6a]C[6a]2){4|H<1>,5|C<3>}	120.6550	0.000	1	120.6550	0.000	1	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]N[5]HO)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]N[5]HO){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<4>,1|O<2>,3|C<3>}	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a,6a]C[6a]2){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	119.6025	0.334	2	119.6025	0.112	2	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]P[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]P[5]HH){1|B<4>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,3|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2){1|B<4>,1|C<4>,2|C<3>,6|H<1>}	119.2170	0.000	1	119.2933	0.151	7	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]P[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]P[5]HH){1|B<4>,1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,3|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2){1|B<4>,3|C<3>,6|H<1>}	119.6505	0.630	2	119.2933	0.151	7	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]P[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]P[5]HH){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|P<3>,2|C<3>,3|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2){3|C<3>,6|H<1>}	119.1337	0.220	4	119.2933	0.151	7	118.7506	0.679	454	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])(N[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])(N[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	118.4470	0.000	1	118.4470	0.000	1	117.7225	0.183	11	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])(N[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])(N[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	117.7920	0.177	2	117.6500	0.140	10	117.7225	0.183	11	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])(N[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])(N[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|O<1>,1|O<2>,2|C<3>,6|H<1>}	117.2738	0.256	4	117.6500	0.140	10	117.7225	0.183	11	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])(N[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])(N[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|O<1>,3|C<3>,6|H<1>}	117.9553	0.130	4	117.6500	0.140	10	117.7225	0.183	11	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5a,6a]H)(H)	C[5,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5a,6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5]){3|C<4>,3|H<1>,4|C<3>}	117.4010	0.000	1	117.4010	0.000	1	117.4010	0.000	1	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[6,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[6,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6,6a]H)(H)	C[5,6a,6a](C[6,6a,6a]C[6,6a]2)(C[5,6a]C[6a]C[5])2	C[5,6a](C[5,6a,6a]C[6,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6,6a]H)(H){1|B<3>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[6,6a,6a]C[6,6a]2)(C[5,6a]C[6a]C[5])2{1|B<3>,3|C<3>,6|H<1>}	118.8090	0.000	1	118.5244	0.395	16	118.5244	0.395	16	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[6,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[6,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6,6a]H)(H)	C[5,6a,6a](C[6,6a,6a]C[6,6a]2)(C[5,6a]C[6a]C[5])2	C[5,6a](C[5,6a,6a]C[6,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6,6a]H)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[6,6a,6a]C[6,6a]2)(C[5,6a]C[6a]C[5])2{2|C<3>,2|P<4>,6|H<1>}	118.5974	0.599	13	118.5244	0.395	16	118.5244	0.395	16	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[6,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[6,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6,6a]H)(H)	C[5,6a,6a](C[6,6a,6a]C[6,6a]2)(C[5,6a]C[6a]C[5])2	C[5,6a](C[5,6a,6a]C[6,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6,6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a,6a](C[6,6a,6a]C[6,6a]2)(C[5,6a]C[6a]C[5])2{1|B<3>,3|C<3>,6|H<1>}	117.3170	0.000	1	118.5244	0.395	16	118.5244	0.395	16	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[6,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[6,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6,6a]H)(H)	C[5,6a,6a](C[6,6a,6a]C[6,6a]2)(C[5,6a]C[6a]C[5])2	C[5,6a](C[5,6a,6a]C[6,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6,6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a,6a](C[6,6a,6a]C[6,6a]2)(C[5,6a]C[6a]C[5])2{4|C<3>,6|H<1>}	118.4980	0.000	1	118.5244	0.395	16	118.5244	0.395	16	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[6a,6a]C[6,6a]C[6a])(C[5,6a]C[6a]C[5])2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a,6a](C[6a,6a]C[6,6a]C[6a])(C[5,6a]C[6a]C[5])2{1|B<3>,2|C<3>,7|H<1>}	118.4040	0.000	1	118.4040	0.000	1	118.4176	0.610	5	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])2{1|N<2>,1|N<3>,2|C<3>,6|H<1>}	117.6000	0.000	1	118.6650	0.863	3	118.4176	0.610	5	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])2{3|C<3>,7|H<1>}	119.1975	0.156	2	118.6650	0.863	3	118.4176	0.610	5	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[6a,6a]C[6a]N[6a])(C[5,6a]C[6a]C[5])2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a,6a](C[6a,6a]C[6a]N[6a])(C[5,6a]C[6a]C[5])2{1|O<2>,3|C<3>,6|H<1>}	117.6890	0.000	1	117.6890	0.000	1	118.4176	0.610	5	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[3x6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[3x6a]N[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a,6a](N[5,6a]C[6a,6a]C[5])(C[3x6a]C[6a,6a]2)(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a,6a]C[3x6a]N[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a,6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a,6a](N[5,6a]C[6a,6a]C[5])(C[3x6a]C[6a,6a]2)(C[5,6a]C[6a]C[5]){1|N<2>,4|C<3>,5|H<1>}	117.8290	0.000	1	117.8290	0.000	1	117.8290	0.000	1	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](N[5,6a]C[5a,6a]C[5])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a,6a](N[5,6a]C[5a,6a]C[5])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){4|C<3>,6|H<1>}	118.1660	0.000	1	118.1660	0.000	1	118.1660	0.000	1	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:N[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]B[5]CC)	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]N[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]B[5]CC){1|H<1>,2|F<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]N[5])(C[6a,6a]C[6a]2){2|C<3>,2|C<4>,2|F<1>,4|H<1>}	121.6420	0.000	1	121.6420	0.000	1	121.9556	0.032	7	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:N[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]CC)	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]CC){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]H)(H){3|C<3>,3|C<4>}	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a,6a]C[6a]2){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	122.0900	0.048	2	122.0078	0.016	6	121.9556	0.032	7	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:N[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]CC)	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]CC){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a,6a]C[6a]2){2|C<4>,3|C<3>,5|H<1>}	121.9667	0.137	4	122.0078	0.016	6	121.9556	0.032	7	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:P[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]CC)	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H)	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]P[5])2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]CC){1|H<1>,2|S<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H){1|P<4>,2|C<3>,3|C<4>}	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]P[5])2{2|C<3>,2|H<1>,2|S<1>,4|C<4>}	119.7640	0.536	2	119.1940	2.126	7	119.1100	1.624	9	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:P[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]CC)	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H)	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]P[5])2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]CC){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H){1|P<2>,2|C<3>,3|C<4>}	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]P[5])2{2|C<3>,2|H<1>,4|C<4>}	119.3090	0.000	1	119.1940	2.126	7	119.1100	1.624	9	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:P[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]CC)	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H)	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]P[5])2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]CC){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H){1|P<3>,2|C<3>,3|C<4>}	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]P[5])2{2|H<1>,3|C<3>,4|C<4>}	120.1140	0.000	1	119.1940	2.126	7	119.1100	1.624	9	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:P[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]CC)	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H)	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]P[5])2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]CC){1|Mo<6>,1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H){1|P<4>,2|C<3>,3|C<4>}	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]P[5])2{1|Mo<6>,2|H<1>,3|C<3>,4|C<4>}	118.9780	0.000	1	119.1940	2.126	7	119.1100	1.624	9	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:P[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]CC)	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H)	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]P[5])2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]CC){1|Te<1>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H){1|P<3>,2|C<3>,3|C<4>}	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]P[5])2{1|Te<1>,2|C<3>,2|H<1>,4|C<4>}	120.3350	0.000	1	119.1940	2.126	7	119.1100	1.624	9	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:P[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]CC)	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H)	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]P[5])2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]CC){2|Se<1>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H){1|P<4>,2|C<3>,3|C<4>}	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]P[5])2{2|Se<1>,2|C<3>,2|H<1>,4|C<4>}	116.0940	0.000	1	119.1940	2.126	7	119.1100	1.624	9	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:P[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]SS)	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H)	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]P[5])2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]SS){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H){1|C<4>,1|P<4>,2|C<3>,2|S<1>}	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]P[5])2{2|C<3>,2|H<1>,2|S<1>,4|C<4>}	118.8160	0.116	2	118.8160	0.013	2	119.1100	1.624	9	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:P[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]B[5]CC)	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]B[5]CC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,2|C<3>,2|C<4>}	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2){2|C<3>,3|C<4>,4|H<1>}	119.8510	0.000	1	120.7028	0.392	5	120.9645	0.934	13	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:P[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]B[5]CC)	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]B[5]CC){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,2|C<3>,2|C<4>}	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	121.4530	0.000	1	120.7028	0.392	5	120.9645	0.934	13	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:P[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]B[5]CC)	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]B[5]CC){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,2|C<3>,2|C<4>}	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2){2|C<4>,3|C<3>,4|H<1>}	121.0730	0.000	1	120.7028	0.392	5	120.9645	0.934	13	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:P[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]B[5]CC)	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]B[5]CC){1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	120.3380	0.000	1	120.7028	0.392	5	120.9645	0.934	13	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:P[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]B[5]CC)	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]B[5]CC){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	120.7990	0.000	1	120.7028	0.392	5	120.9645	0.934	13	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:P[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]C[5]BC)	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]C[5]BC){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2){1|B<4>,1|C<4>,2|C<3>,6|H<1>}	119.2730	0.000	1	119.2730	0.000	1	120.9645	0.934	13	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:P[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]CC)	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a,6a]P[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]CC){1|H<1>,1|O<1>,1|S<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,2|C<3>,2|C<4>}	C[5,6a,6a](C[5,6a]C[6a,6a]P[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2){1|O<1>,1|S<1>,2|C<4>,3|C<3>,3|H<1>}	122.2280	0.000	1	121.9720	0.131	2	120.9645	0.934	13	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:P[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]CC)	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a,6a]P[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]CC){1|Se<1>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,2|C<3>,2|C<4>}	C[5,6a,6a](C[5,6a]C[6a,6a]P[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2){1|Se<1>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	121.7160	0.000	1	121.9720	0.131	2	120.9645	0.934	13	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:P[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]NN)	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]P[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]NN){1|H<1>,1|I<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,2|C<3>,2|N<3>}	C[5,6a,6a](C[5,6a]C[6a]P[5])2(C[6a,6a]C[6a]2){1|I<1>,2|C<3>,2|N<3>,4|H<1>}	122.5960	0.000	1	121.7400	0.719	3	120.9645	0.934	13	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:P[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]NN)	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]P[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]NN){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,2|C<3>,2|N<3>}	C[5,6a,6a](C[5,6a]C[6a]P[5])2(C[6a,6a]C[6a]2){2|C<3>,3|N<3>,4|H<1>}	120.9000	0.000	1	121.7400	0.719	3	120.9645	0.934	13	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:P[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]NN)	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]P[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]NN){1|H<1>,1|P<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,2|C<3>,2|N<3>}	C[5,6a,6a](C[5,6a]C[6a]P[5])2(C[6a,6a]C[6a]2){1|P<3>,2|C<3>,2|N<3>,4|H<1>}	121.7240	0.000	1	121.7400	0.719	3	120.9645	0.934	13	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:P[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]NO)	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]P[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]NO){1|H<1>,1|P<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,1|P<3>,2|C<3>}	C[5,6a,6a](C[5,6a]C[6a]P[5])2(C[6a,6a]C[6a]2){1|N<3>,1|O<1>,1|P<3>,2|C<3>,4|H<1>}	120.5450	0.000	1	120.5450	0.000	1	120.9645	0.934	13	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:P[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]S[5]NO)	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]P[5])(C[5,6a]C[6a]S[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]S[5]NO){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,1|S<2>,2|C<3>}	C[5,6a,6a](C[5,6a]C[6a]P[5])(C[5,6a]C[6a]S[5])(C[6a,6a]C[6a]2){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	120.0420	0.000	1	120.0420	0.000	1	120.9645	0.934	13	118.7100	1.090	605	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:2:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]O)(OH)	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(C[5]O[5]HH){1|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]O)(OH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a,6a]C[6a]2){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	117.8990	0.148	2	117.8990	0.022	2	117.8990	0.022	2	117.8990	0.022	2	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]N[6a]O)(COO)	C[5,6a,6a](C[6a,6a]C[6a]N[6a])(C[5,6a]C[6a]C[5])2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]C)(C[5]C[5]HH){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]N[6a]O)(COO){1|C<4>,2|C<3>,3|H<1>}	C[5,6a,6a](C[6a,6a]C[6a]N[6a])(C[5,6a]C[6a]C[5])2{1|O<2>,3|C<3>,6|H<1>}	118.9330	0.000	1	118.9330	0.000	1	118.9330	0.000	1	118.9330	0.000	1	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:4:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]C)(C[5]C[5]CO)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]O[6a]O)(CCHH)	C[5,6a,6a](C[6a,6a]C[6a]O[6a])(C[5,6a]C[6a]C[5])2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]C)(C[5]C[5]CO){1|O<2>,2|C<3>,2|O<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]O[6a]O)(CCHH){1|O<2>,4|C<3>}	C[5,6a,6a](C[6a,6a]C[6a]O[6a])(C[5,6a]C[6a]C[5])2{1|C<4>,1|H<1>,1|O<1>,2|O<2>,3|C<3>}	119.6390	0.000	1	119.6390	0.000	1	119.6390	0.000	1	118.0546	3.125	7	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:4:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]C[5])(C[5]C[5,6a]HH)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]2Fe)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])2(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]C[5])(C[5]C[5,6a]HH){1|Fe<10>,1|H<1>,2|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]2Fe){3|C<3>,3|C<4>,4|H<1>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])2(C[5,6a]C[6a]C[5]){2|C<4>,2|H<1>,5|C<3>}	116.3183	0.783	3	116.3183	0.614	3	116.3183	0.614	3	118.0546	3.125	7	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:4:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:C-4:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a,6a]C)(C[5]C[5,6a]HH)	C[6a](C[6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a,6a]C[5])(CH3)	C[5,6a,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a,6a]C)(C[5]C[5,6a]HH){5|C<3>}	C[6a](C[6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a,6a]C[5])(CH3){2|H<1>,6|C<3>}	C[5,6a,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[6a]C[5]){1|C<4>,2|H<1>,6|C<3>}	119.7715	0.187	2	119.7715	0.035	2	119.7715	0.035	2	118.0546	3.125	7	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:4:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:C-4:	C[5,6a,6a]-3:C[5a,6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[6a]C[6a,6a]C)(C[5]C[5,6a]HH)	C[6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[5,6a]C[5,6a,6a]C[5])(CC3)	C[5,6a,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[6a]C[6a,6a]C)(C[5]C[5,6a]HH){5|C<3>}	C[6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[5,6a]C[5,6a,6a]C[5])(CC3){3|H<1>,5|C<3>}	C[5,6a,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a]C[6a]C[5]){1|C<4>,2|H<1>,6|C<3>}	118.2450	0.000	1	118.2450	0.000	1	118.2450	0.000	1	118.0546	3.125	7	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:B[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[5,5]C[5,6a]2P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]B[5,5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]B[5,5]C[6a])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[5,5]C[5,6a]2P[5])(C[6a]C[6a]H){1|H<1>,2|C<4>,7|C<3>}	C[6a](C[5,6a]C[5,6a,6a]B[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,4|C<3>}	C[5,6a,6a](C[5,6a]B[5,5]C[6a])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	116.8320	0.000	1	116.8320	0.000	1	116.8320	0.000	1	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(B[5]P[5]Cl2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]B[5])(C[6a]C[5,6a]H)(H)	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]B[5])(C[5,6a]C[6a]P[5])	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(B[5]P[5]Cl2)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]B[5])(C[6a]C[5,6a]H)(H){2|Cl<1>,1|C<4>,1|P<4>,2|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]B[5])(C[5,6a]C[6a]P[5]){2|Cl<1>,2|C<4>,2|H<1>,4|C<3>}	116.6740	0.000	1	116.6740	0.000	1	116.6740	0.000	1	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[5]C[6a]2P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[5]C[6a]2P[5])(C[6a]C[6a]H){1|H<1>,2|C<4>,7|C<3>}	C[6a](C[5,6a]C[5,6a,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,4|C<3>}	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	116.6640	0.000	1	116.7947	0.020	3	116.8837	0.045	4	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[5]C[6a]2P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[5]C[6a]2P[5])(C[6a]C[6a]H){1|H<1>,9|C<3>}	C[6a](C[5,6a]C[5,6a,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,4|C<3>}	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2){4|H<1>,6|C<3>}	116.8600	0.120	2	116.7947	0.020	3	116.8837	0.045	4	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[5]C[6a]P[5]N)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[5]C[6a]P[5]N)(C[6a]C[6a]H){1|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<4>,1|P<4>,3|C<3>}	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2){1|N<4>,4|H<1>,5|C<3>}	117.1510	0.000	1	117.1510	0.000	1	116.8837	0.045	4	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[3,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){2|Br<1>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a,6a](C[5,6a]C[3,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	118.2560	0.061	2	118.2560	0.004	2	118.2560	0.004	2	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[3x5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[3x5]C[5,6a]2C[3x5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[3x5])(C[6a]C[5,6a]H)(H)	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[3x5]C[6a])2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[3x5]C[5,6a]2C[3x5])(C[6a]C[6a]H){1|H<1>,9|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[3x5])(C[6a]C[5,6a]H)(H){1|C<4>,5|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[3x5]C[6a])2{2|H<1>,8|C<3>}	117.8613	0.357	6	117.8613	0.127	6	117.8613	0.127	6	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[3x5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[3x5]C[5,5,6]C[5,5]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[3x5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[3x5]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[3x5]C[5,5,6]C[5,5]N[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,4|C<3>,4|C<4>}	C[6a](C[5,6a]C[5,6a,6a]C[3x5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a,6a](C[5,6a]C[3x5]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a,6a]C[6a]2){1|C<4>,1|O<2>,2|C<3>,2|N<3>,4|H<1>}	118.7980	0.044	2	118.9870	0.035	6	118.9021	0.079	7	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[3x5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[3x5]C[5,5,6]C[5,5]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[3x5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[3x5]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[3x5]C[5,5,6]C[5,5]N[5])(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>,5|C<4>}	C[6a](C[5,6a]C[5,6a,6a]C[3x5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a,6a](C[5,6a]C[3x5]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a,6a]C[6a]2){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	119.0590	0.000	1	118.9870	0.035	6	118.9021	0.079	7	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[3x5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[3x5]C[5,5,6]C[5,5]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[3x5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[3x5]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[3x5]C[5,5,6]C[5,5]N[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[3x5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a,6a](C[5,6a]C[3x5]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a,6a]C[6a]2){1|C<4>,1|O<2>,2|C<3>,2|N<3>,4|H<1>}	119.0890	0.179	3	118.9870	0.035	6	118.9021	0.079	7	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[3x5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[3x5]C[5,5]2N[5,5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[3x5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[3x5]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[3x5]C[5,5]2N[5,5])(C[6a]C[6a]H){1|H<1>,2|O<2>,4|C<3>,4|C<4>}	C[6a](C[5,6a]C[5,6a,6a]C[3x5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a,6a](C[5,6a]C[3x5]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a,6a]C[6a]2){1|C<4>,1|N<3>,2|C<3>,2|O<2>,4|H<1>}	118.3930	0.000	1	118.3930	0.000	1	118.9021	0.079	7	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[4,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[4,5]C[4,5]2H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[4,5]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[4,5]C[4,5]2H)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[4,5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a,6a](C[5,6a]C[4,5]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|C<4>,6|H<1>}	118.3860	0.091	2	118.3860	0.008	2	118.9490	0.449	4	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[4,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[4,5]N[4,5a]C[4,5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[4,5]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[4,5]N[4,5a]C[4,5]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[4,5]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,6|H<1>}	119.5120	0.264	2	119.5120	0.070	2	118.9490	0.449	4	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5,6]C[5,6]2C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,5,6]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5,6]C[5,6]2C[5])(C[6a]C[6a]H){1|H<1>,9|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a]C[5,5,6]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a,6a]C[6a]2){1|C<4>,4|C<3>,4|H<1>}	119.2580	0.000	1	119.2580	0.000	1	119.2580	0.000	1	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[3x5]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[3x5]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[3x5]C[5,6]O)(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a,6a](C[5,6a]C[3x5]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a,6a]C[6a]2){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	119.9640	0.000	1	119.9640	0.000	1	118.8238	0.463	111	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[3x5]N[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[3x5]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[3x5]N[5,6]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a,6a](C[5,6a]C[3x5]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a,6a]C[6a]2){1|C<4>,1|O<2>,2|C<3>,2|N<3>,4|H<1>}	119.5443	0.222	9	119.5443	0.049	9	118.8238	0.463	111	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[3x5]O[5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[3x5]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[3x5]O[5]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a,6a](C[5,6a]C[3x5]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a,6a]C[6a]2){1|C<4>,1|N<3>,2|C<3>,2|O<2>,4|H<1>}	119.9180	0.000	1	119.9180	0.000	1	118.8238	0.463	111	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]2C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]2C[5])(C[6a]C[6a]H){3|C<4>,3|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,3|C<4>,5|H<1>}	118.1545	0.217	2	118.1545	0.047	2	118.8238	0.463	111	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	118.3500	0.000	1	118.3500	0.000	1	118.8238	0.463	111	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]C)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2){1|C<4>,4|C<3>,4|H<1>}	118.3460	0.321	2	118.3460	0.103	2	118.8238	0.463	111	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,3|C<4>,5|H<1>}	119.2630	0.088	2	119.2630	0.008	2	118.8238	0.463	111	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<1>,3|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	118.4325	0.093	2	118.3212	0.057	12	118.8238	0.463	111	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,3|C<4>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	118.2917	0.308	6	118.3212	0.057	12	118.8238	0.463	111	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>,4|C<4>}	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	118.3098	0.196	4	118.3212	0.057	12	118.8238	0.463	111	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	119.4645	0.596	2	119.2793	0.281	3	118.8238	0.463	111	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2){1|N<3>,2|O<2>,3|C<3>,4|H<1>}	118.9090	0.000	1	119.2793	0.281	3	118.8238	0.463	111	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5,5]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5,5]C[5])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<1>,3|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	119.2280	0.000	1	118.2792	0.380	5	118.8238	0.463	111	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5,5]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5,5]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,3|C<4>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	118.1477	0.360	3	118.2792	0.380	5	118.8238	0.463	111	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5,5]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5,5]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>,4|C<4>}	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	117.7250	0.000	1	118.2792	0.380	5	118.8238	0.463	111	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5,6]O)(C[6a]C[6a]H){1|H<1>,1|O<2>,6|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2){1|N<3>,2|O<2>,3|C<3>,4|H<1>}	119.2170	0.000	1	119.2170	0.000	1	118.8238	0.463	111	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5]H)(C[6a]C[6a]H){1|C<2>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,6|H<1>}	119.2125	0.053	2	119.5427	0.217	16	118.8238	0.463	111	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,6|H<1>}	119.5899	0.481	14	119.5427	0.217	16	118.8238	0.463	111	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]O[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]O[5]C)(C[6a]C[6a]H){1|B<3>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	119.4930	0.215	4	119.4930	0.046	4	118.8238	0.463	111	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]C[5]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]C[5]N[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,3|C<4>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	118.8590	0.000	1	118.4092	0.209	13	118.8238	0.463	111	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]C[5]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]C[5]N[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>,4|C<4>}	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	118.3573	0.475	11	118.4092	0.209	13	118.8238	0.463	111	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]C[5]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]C[5]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	118.5300	0.000	1	118.4092	0.209	13	118.8238	0.463	111	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]N[5,5]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]N[5,5]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>,4|C<4>}	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	118.4531	0.418	10	118.4363	0.145	12	118.8238	0.463	111	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]N[5,5]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]N[5,5]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	118.3520	0.055	2	118.4363	0.145	12	118.8238	0.463	111	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]N[5,6]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]N[5,6]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>,4|C<4>}	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	118.6204	0.301	5	118.7183	0.130	6	118.8238	0.463	111	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]N[5,6]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]N[5,6]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	119.2080	0.000	1	118.7183	0.130	6	118.8238	0.463	111	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<2>,1|H<1>,1|O<1>,3|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	118.1830	0.000	1	118.7440	0.435	11	118.8238	0.463	111	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|N<3>,4|C<3>,4|H<1>}	119.7570	0.116	2	118.7440	0.435	11	118.8238	0.463	111	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|Ga<3>,1|N<2>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|N<2>,1|N<3>,3|C<3>,4|H<1>}	118.9545	0.156	2	118.7440	0.435	11	118.8238	0.463	111	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	118.4297	0.502	6	118.7440	0.435	11	118.8238	0.463	111	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	118.6190	0.000	1	118.6190	0.000	1	118.8238	0.463	111	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]N[5,5]C[5]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]N[5,5]C[5]2)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|O<1>,3|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	118.1070	0.000	1	118.4254	0.614	8	118.8238	0.463	111	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]N[5,5]C[5]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]N[5,5]C[5]2)(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<2>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	119.1970	0.000	1	118.4254	0.614	8	118.8238	0.463	111	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]N[5,5]C[5]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]N[5,5]C[5]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	118.3498	0.845	6	118.4254	0.614	8	118.8238	0.463	111	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]N[5,6]C[5]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[5,6a]C[5,5]C[6a])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]N[5,6]C[5]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[5,6a]C[5,5]C[6a])(C[6a,6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	119.7580	0.000	1	119.7580	0.000	1	118.8238	0.463	111	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,6]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a,6a](C[5,6a]C[5,6]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,4|C<4>,4|H<1>}	118.3780	0.434	2	118.3780	0.188	2	118.8134	0.133	11	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]N[5,6]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]N[5,6]C[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a,6a](C[5,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	118.6937	0.152	4	118.6937	0.023	4	118.8134	0.133	11	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6]C[5]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6]C[5]C[6])(C[6a]C[6a]H){1|C<2>,1|H<1>,1|O<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a,6a](C[5,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|O<1>,4|C<3>,4|H<1>}	119.0210	0.000	1	119.0210	0.000	1	118.8134	0.133	11	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6a]C[5]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6a]C[5]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	119.1980	0.000	1	119.0063	0.080	3	118.8134	0.133	11	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6a]C[5]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6a]C[5]C[6])(C[6a]C[6a]H){3|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,4|C<3>}	C[5,6a,6a](C[5,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){2|O<2>,3|H<1>,5|C<3>}	118.9105	0.325	2	119.0063	0.080	3	118.8134	0.133	11	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]N[5a,6]C[6,6]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]N[5a,6]C[6,6]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a,6a](C[5,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	119.3760	0.000	1	119.3760	0.000	1	118.8134	0.133	11	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(C[5]C[5,6]MoH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(C[5]C[5,6]MoH)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Mo<10>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|Mo<10>,1|C<4>,3|C<3>,4|H<1>}	115.8820	0.000	1	115.8820	0.000	1	115.8820	0.000	1	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a,6a]Br)(H)	C[5,6a,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[3x6a]C[6a,6a]2)(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){1|Br<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a,6a]Br)(H){1|H<1>,5|C<3>}	C[5,6a,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[3x6a]C[6a,6a]2)(C[5,6a]C[6a]C[5]){2|H<1>,7|C<3>}	116.9025	0.103	2	116.9025	0.011	2	116.9025	0.011	2	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]C[5])(H)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])2(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]C[5])(H){1|Fe<10>,2|H<1>,3|C<3>,3|C<4>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])2(C[5,6a]C[6a]C[5]){1|C<4>,3|H<1>,5|C<3>}	116.8307	0.206	3	116.8307	0.042	3	116.0289	0.909	25	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])2(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])2(C[5,6a]C[6a]C[5]){1|C<4>,3|H<1>,5|C<3>}	115.8514	0.987	20	115.9196	0.931	22	116.0289	0.909	25	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])2(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H){2|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])2(C[5,6a]C[6a]C[5]){3|H<1>,6|C<3>}	116.6010	0.016	2	115.9196	0.931	22	116.0289	0.909	25	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]C)(H){3|C<3>,3|H<1>}	C[5,6a,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5]){4|H<1>,5|C<3>}	117.5160	0.191	2	117.5160	0.036	2	117.2571	0.237	13	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5]){4|H<1>,5|C<3>}	117.4850	0.529	2	117.4850	0.280	2	117.2571	0.237	13	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5]){4|H<1>,5|C<3>}	116.4877	0.230	3	116.4877	0.053	3	117.2571	0.237	13	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5]){4|H<1>,5|C<3>}	117.4795	0.148	6	117.4795	0.022	6	117.2571	0.237	13	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H){1|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a,6a](C[5,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){2|O<2>,3|H<1>,5|C<3>}	118.6705	0.636	2	118.6705	0.404	2	118.6822	0.395	20	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5]C[6]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5]C[6]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|O<1>,4|C<3>,4|H<1>}	118.8060	0.000	1	118.8060	0.000	1	118.6822	0.395	20	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5]EuN)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5]EuN)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Eu<14>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Eu<14>,2|C<3>,2|N<3>,4|H<1>}	118.8960	0.074	2	118.8960	0.005	2	118.6822	0.395	20	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|N<4>,2|H<1>,3|C<3>}	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a,6a]C[6a]2){2|C<4>,3|C<3>,5|H<1>}	118.5545	0.103	2	118.5545	0.011	2	118.6822	0.395	20	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5]NiN)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5]NiN)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Ni<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Ni<4>,1|N<2>,1|N<3>,2|C<3>,4|H<1>}	118.4630	0.000	1	118.4630	0.000	1	118.6822	0.395	20	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5]SmN)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5]SmN)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Sm<14>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Sm<14>,2|C<3>,2|N<3>,4|H<1>}	118.1225	0.644	2	118.1225	0.415	2	118.6822	0.395	20	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5]TaN)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5]TaN)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Ta<8>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Ta<8>,2|C<3>,2|N<3>,4|H<1>}	119.3700	0.656	4	119.3700	0.430	4	118.6822	0.395	20	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5]TiN)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5]TiN)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Ti<12>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Ti<12>,2|C<3>,2|N<3>,4|H<1>}	118.7890	0.058	2	118.7890	0.003	2	118.6822	0.395	20	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6]N[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6]N[5]H)(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|N<4>,2|H<1>,3|C<3>}	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a,6a]C[6a]2){2|C<4>,3|C<3>,5|H<1>}	118.5610	0.099	2	118.5610	0.010	2	118.6822	0.395	20	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6]O[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6]O[5]H)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a,6a]C[6a]2){3|C<3>,5|H<1>}	117.8540	1.109	2	117.8540	1.229	2	118.6822	0.395	20	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:S-1:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]HH)(C[6a]C[6a]S)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]S)(S)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])2(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]HH)(C[6a]C[6a]S){1|S<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]S)(S){1|C<4>,2|H<1>,3|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])2(C[5,6a]C[6a]C[5]){1|C<4>,1|S<1>,2|H<1>,5|C<3>}	118.4180	0.000	1	118.4180	0.000	1	118.4180	0.000	1	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:Ga[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(Ga[5]P[5]Cl2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]Ga[5])(C[6a]C[5,6a]H)(H)	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]Ga[5])(C[5,6a]C[6a]P[5])	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(Ga[5]P[5]Cl2)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]Ga[5])(C[6a]C[5,6a]H)(H){2|Cl<1>,1|C<4>,1|P<4>,2|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]Ga[5])(C[5,6a]C[6a]P[5]){2|Cl<1>,2|C<4>,2|H<1>,4|C<3>}	117.7780	0.000	1	117.7780	0.000	1	117.7780	0.000	1	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:Ga[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(Ga[5]N[5]Cl2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]Ga[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]Ga[5])(C[5,6a]C[6a]N[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(Ga[5]N[5]Cl2)(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]Ga[5])(C[6a]C[6a]H)(H){2|Cl<1>,1|H<1>,1|N<4>,2|C<3>}	C[5,6a,6a](C[5,6a]C[6a]Ga[5])(C[5,6a]C[6a]N[5])(C[6a,6a]C[6a]2){2|Cl<1>,2|C<3>,2|C<4>,4|H<1>}	119.8310	0.000	1	119.8310	0.000	1	119.8310	0.000	1	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:Ge[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(Ge[5]C[5,6a]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]Ge[5])(C[6a]C[5,6a]H)(H)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])2(C[5,6a]C[6a]Ge[5])	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(Ge[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]Ge[5])(C[6a]C[5,6a]H)(H){1|Ge<4>,2|C<4>,3|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])2(C[5,6a]C[6a]Ge[5]){1|Ge<4>,1|H<1>,2|C<4>,5|C<3>}	116.7593	0.549	12	116.7593	0.301	12	116.7593	0.301	12	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:In[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(In[5]P[5]Cl2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]In[5])(C[6a]C[5,6a]H)(H)	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]In[5])(C[5,6a]C[6a]P[5])	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(In[5]P[5]Cl2)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]In[5])(C[6a]C[5,6a]H)(H){2|Cl<1>,1|C<4>,1|P<4>,2|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]In[5])(C[5,6a]C[6a]P[5]){2|Cl<1>,2|C<4>,2|H<1>,4|C<3>}	118.6210	0.000	1	118.6210	0.000	1	118.6210	0.000	1	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:N[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(N[5]Ga[5]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]Ga[5])(C[5,6a]C[6a]N[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(N[5]Ga[5]CC)(C[6a]C[6a]H){2|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]H)(H){1|Ga<4>,1|H<1>,2|C<3>,2|C<4>}	C[5,6a,6a](C[5,6a]C[6a]Ga[5])(C[5,6a]C[6a]N[5])(C[6a,6a]C[6a]2){2|Cl<1>,2|C<3>,2|C<4>,4|H<1>}	121.7460	0.000	1	121.7460	0.000	1	121.7460	0.000	1	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(P[5]As[5]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H)	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]As[5]C[6a])(C[5,6a]C[6a]P[5])	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(P[5]As[5]CC)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H){1|As<2>,2|C<3>,3|C<4>}	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]As[5]C[6a])(C[5,6a]C[6a]P[5]){2|C<3>,2|H<1>,4|C<4>}	119.7430	0.413	2	119.7870	0.091	3	119.5111	0.296	12	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(P[5]As[5]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H)	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]As[5]C[6a])(C[5,6a]C[6a]P[5])	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(P[5]As[5]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H){1|As<3>,2|C<3>,3|C<4>}	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]As[5]C[6a])(C[5,6a]C[6a]P[5]){2|H<1>,3|C<3>,4|C<4>}	119.8750	0.000	1	119.7870	0.091	3	119.5111	0.296	12	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(P[5]As[5]C[6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H)	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]As[5]C[6a])(C[5,6a]C[6a]P[5])	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(P[5]As[5]C[6a]2)(C[6a]C[6a]H){1|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H){1|As<2>,1|C<4>,4|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]As[5]C[6a])(C[5,6a]C[6a]P[5]){2|C<4>,2|H<1>,4|C<3>}	118.9350	0.000	1	118.9350	0.000	1	119.5111	0.296	12	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(P[5]C[6a]2B[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H)	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]B[5])(C[5,6a]C[6a]P[5])	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(P[5]C[6a]2B[5])(C[6a]C[6a]H){2|Cl<1>,1|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H){1|B<4>,1|C<4>,4|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]B[5])(C[5,6a]C[6a]P[5]){2|Cl<1>,2|C<4>,2|H<1>,4|C<3>}	119.6580	0.000	1	119.6580	0.000	1	119.5111	0.296	12	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(P[5]C[6a]2Ga[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H)	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]Ga[5])(C[5,6a]C[6a]P[5])	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(P[5]C[6a]2Ga[5])(C[6a]C[6a]H){2|Cl<1>,1|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H){1|Ga<4>,1|C<4>,4|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]Ga[5])(C[5,6a]C[6a]P[5]){2|Cl<1>,2|C<4>,2|H<1>,4|C<3>}	120.1860	0.000	1	120.1860	0.000	1	119.5111	0.296	12	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(P[5]C[6a]2In[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H)	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]In[5])(C[5,6a]C[6a]P[5])	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(P[5]C[6a]2In[5])(C[6a]C[6a]H){2|Cl<1>,1|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H){1|In<4>,1|C<4>,4|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]In[5])(C[5,6a]C[6a]P[5]){2|Cl<1>,2|C<4>,2|H<1>,4|C<3>}	120.2130	0.000	1	120.2130	0.000	1	119.5111	0.296	12	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(P[5]C[6a]2P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H)	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]P[5])2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(P[5]C[6a]2P[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H){1|C<4>,1|P<3>,4|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]P[5])2{1|Cl<1>,2|C<4>,2|H<1>,4|C<3>}	119.7700	0.000	1	119.7700	0.000	1	119.5111	0.296	12	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(P[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H)	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]P[5])	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(P[5]C[6a]C[5]O)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H){1|O<1>,2|C<4>,3|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]P[5]){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	118.7110	0.000	1	118.7110	0.000	1	119.5111	0.296	12	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(P[5]C[6a]C[5]Pt)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H)	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]P[5])	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(P[5]C[6a]C[5]Pt)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H){1|Pt<4>,2|C<4>,3|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]P[5]){1|Pt<4>,2|C<4>,3|C<3>,4|H<1>}	118.6750	0.000	1	118.6750	0.000	1	119.5111	0.296	12	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(P[5]C[6a]P[5]Mo)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H)	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]P[5])2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(P[5]C[6a]P[5]Mo)(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H){1|Mo<6>,1|C<4>,1|P<4>,3|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]P[5])2{1|Mo<6>,2|H<1>,3|C<3>,4|C<4>}	119.1430	0.000	1	119.1430	0.000	1	119.5111	0.296	12	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(P[5]P[5]Se2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H)	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]P[5])2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(P[5]P[5]Se2)(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H){2|Se<1>,1|C<4>,1|P<4>,2|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]P[5])2{2|Se<1>,2|C<3>,2|H<1>,4|C<4>}	119.4810	0.000	1	119.4810	0.000	1	119.5111	0.296	12	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(P[5]B[5,5]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]B[5,5]C[6a])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(P[5]B[5,5]CC)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	C[5,6a,6a](C[5,6a]B[5,5]C[6a])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	120.7560	0.000	1	120.7560	0.000	1	120.6005	0.189	11	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(P[5]C[6a]2B[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(P[5]C[6a]2B[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,7|C<3>}	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2){1|N<3>,4|C<3>,4|H<1>}	120.7950	0.000	1	120.9098	0.134	4	120.6005	0.189	11	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(P[5]C[6a]2B[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(P[5]C[6a]2B[5])(C[6a]C[6a]H){1|H<1>,1|N<4>,8|C<3>}	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2){1|N<4>,4|H<1>,5|C<3>}	121.4530	0.000	1	120.9098	0.134	4	120.6005	0.189	11	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(P[5]C[6a]2B[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(P[5]C[6a]2B[5])(C[6a]C[6a]H){1|H<1>,9|C<3>}	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2){4|H<1>,6|C<3>}	120.6955	0.035	2	120.9098	0.134	4	120.6005	0.189	11	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(P[5]C[6a]C[5]B)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(P[5]C[6a]C[5]B)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,1|H<1>,3|C<3>}	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2){1|B<4>,3|C<3>,6|H<1>}	120.1560	0.007	2	120.1560	0.000	2	120.6005	0.189	11	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(P[5]C[6a]P[5]Fe)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]P[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(P[5]C[6a]P[5]Fe)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H){1|Fe<5>,1|H<1>,1|P<4>,3|C<3>}	C[5,6a,6a](C[5,6a]C[6a]P[5])2(C[6a,6a]C[6a]2){1|Fe<5>,4|C<3>,4|H<1>}	120.8320	0.000	1	120.8320	0.000	1	120.6005	0.189	11	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(P[5]P[5]SeO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]P[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(P[5]P[5]SeO)(C[6a]C[6a]H){1|H<1>,1|P<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H){1|Se<1>,1|H<1>,1|O<2>,1|P<3>,2|C<3>}	C[5,6a,6a](C[5,6a]C[6a]P[5])2(C[6a,6a]C[6a]2){1|Se<1>,1|O<2>,1|P<3>,2|C<3>,4|H<1>}	120.0400	0.000	1	120.3553	0.226	3	120.6005	0.189	11	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(P[5]P[5]SeO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]P[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(P[5]P[5]SeO)(C[6a]C[6a]H){1|Se<1>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H){1|Se<1>,1|H<1>,1|O<2>,1|P<4>,2|C<3>}	C[5,6a,6a](C[5,6a]C[6a]P[5])2(C[6a,6a]C[6a]2){2|Se<1>,2|C<3>,2|O<2>,4|H<1>}	120.5130	0.550	2	120.3553	0.226	3	120.6005	0.189	11	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:Si[4,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5,6a,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(Si[4,5]Si[4,4,5]C[4]N)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]Si[4,5])(C[6a]C[5,6a]H)(H)	C[5,6a,6a](C[5,6a]Si[4,4,5]C[6a])(C[5,6a]Si[4,5]C[6a])(C[5,6a,6a]C[5,6a]2)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(Si[4,5]Si[4,4,5]C[4]N)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|N<3>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]Si[4,5])(C[6a]C[5,6a]H)(H){1|Si<5>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a,6a](C[5,6a]Si[4,4,5]C[6a])(C[5,6a]Si[4,5]C[6a])(C[5,6a,6a]C[5,6a]2){1|O<2>,2|C<3>,2|H<1>,3|C<4>,3|N<3>}	117.0910	0.000	1	117.0910	0.000	1	117.2860	0.712	3	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:Si[4,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5,6a,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(Si[4,5]Si[4,5]C[4]N)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]Si[4,5])(C[6a]C[5,6a]H)(H)	C[5,6a,6a](C[5,6a]Si[4,5]C[6a])2(C[5,6a,6a]C[5,6a]2)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(Si[4,5]Si[4,5]C[4]N)(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]Si[4,5])(C[6a]C[5,6a]H)(H){1|Si<4>,1|C<4>,1|N<3>,3|C<3>}	C[5,6a,6a](C[5,6a]Si[4,5]C[6a])2(C[5,6a,6a]C[5,6a]2){2|C<4>,2|H<1>,2|N<3>,4|C<3>}	117.3835	1.169	2	117.3835	1.366	2	117.2860	0.712	3	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[3x6a]-3:C[5,6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(Si[5]C[5,6a]CC)(C[6a]C[6,6a]H)	C[6a](C[5,6a]C[5,6a,6a]Si[5])(C[6,6a]C[6,6a,6a]C[6])(H)	C[5,6a,6a](C[3x6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[6a]Si[5])	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(Si[5]C[5,6a]CC)(C[6a]C[6,6a]H){5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]Si[5])(C[6,6a]C[6,6a,6a]C[6])(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>}	C[5,6a,6a](C[3x6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[6a]Si[5]){1|H<1>,2|C<4>,6|C<3>}	116.6455	0.179	2	116.6455	0.032	2	116.6455	0.032	2	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(Si[5]C[5,6a]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]Si[5])(C[6a]C[5,6a]H)(H)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])2(C[5,6a]C[6a]Si[5])	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(Si[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]Si[5])(C[6a]C[5,6a]H)(H){1|Si<4>,2|C<4>,3|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])2(C[5,6a]C[6a]Si[5]){1|Si<4>,1|H<1>,2|C<4>,5|C<3>}	115.3878	0.420	12	115.3878	0.176	12	115.3878	0.176	12	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]Si[5])	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]Si[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]Si[5]){2|C<4>,2|H<1>,5|C<3>}	118.0690	0.034	2	118.0690	0.001	2	118.0690	0.001	2	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(Si[5]C[5]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a]Si[5])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(Si[5]C[5]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]Si[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a,6a](C[5,6a]C[6a]Si[5])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){2|C<4>,3|C<3>,4|H<1>}	118.4945	0.351	2	118.4945	0.124	2	118.4945	0.124	2	118.2150	1.988	270	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:2:	3:3:3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(OH)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]O){4|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(OH){1|H<1>,2|C<4>,3|C<3>}	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2){1|C<4>,2|H<1>,3|O<2>,4|C<3>}	118.3030	0.000	1	118.3030	0.000	1	118.2750	0.312	4	116.9437	3.414	55	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:2:	3:3:3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]O)(OC)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]O)(OC){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2){1|C<4>,2|H<1>,3|O<2>,4|C<3>}	118.3220	0.000	1	118.3220	0.000	1	118.2750	0.312	4	116.9437	3.414	55	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:2:	3:3:3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6a]N[5]O[5])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(OH)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]O[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6a]N[5]O[5])(C[6a]C[6a]O){2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(OH){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]O[5])(C[6a,6a]C[6a]2){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	118.2375	0.964	2	118.2375	0.929	2	118.2750	0.312	4	116.9437	3.414	55	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:2:	3:3:3:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5]O)(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5]O)(C[6a]C[6a]O){1|H<1>,1|O<2>,6|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){2|H<1>,4|C<3>,4|O<2>}	118.6900	0.528	4	118.6900	0.279	4	118.6900	0.279	4	116.9437	3.414	55	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:2:	3:3:3:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:S-2:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]HH)(C[6a]C[6a]S)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]S)(SC)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])2(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]HH)(C[6a]C[6a]S){1|S<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]S)(SC){1|C<4>,2|H<1>,3|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])2(C[5,6a]C[6a]C[5]){1|C<4>,1|S<2>,2|H<1>,5|C<3>}	115.6300	0.000	1	116.2452	4.055	31	116.2452	4.055	31	116.9437	3.414	55	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:2:	3:3:3:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:S-2:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]HH)(C[6a]C[6a]S)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]S)(SC)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])2(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]HH)(C[6a]C[6a]S){1|S<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]S)(SC){1|C<4>,2|H<1>,3|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])2(C[5,6a]C[6a]C[5]){1|C<4>,1|S<2>,2|H<1>,5|C<3>}	116.2657	2.045	30	116.2452	4.055	31	116.2452	4.055	31	116.9437	3.414	55	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:2:	3:3:3:	C[5,6a,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(P[5]C[5,6a]C[6a]S)(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]O)(OC)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]P[5])	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(P[5]C[5,6a]C[6a]S)(C[6a]C[6a]O){1|O<2>,6|C<3>}	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]O)(OC){1|P<4>,1|S<1>,4|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]P[5]){1|O<2>,1|P<4>,1|S<1>,6|C<3>}	116.7645	0.040	2	116.7645	0.002	2	116.9516	0.635	8	116.9437	3.414	55	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:2:	3:3:3:	C[5,6a,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(P[5]C[5,6a]C[6a]S)(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]O)(OC)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])2(C[5,6a]C[6a]P[5])	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(P[5]C[5,6a]C[6a]S)(C[6a]C[6a]O){1|O<2>,6|C<3>}	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]O)(OC){1|P<4>,1|S<1>,4|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])2(C[5,6a]C[6a]P[5]){1|O<2>,1|P<4>,1|S<1>,6|C<3>}	117.0140	0.932	6	117.0140	0.869	6	116.9516	0.635	8	116.9437	3.414	55	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:2:	3:3:3:	C[5,6a,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(P[5]C[5,6a]C[6a]S)(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]O)(OC)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]P[5])	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(P[5]C[5,6a]C[6a]S)(C[6a]C[6a]O){1|O<2>,6|C<3>}	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]O)(OC){1|H<1>,1|S<1>,4|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]P[5]){1|H<1>,1|O<2>,1|S<1>,6|C<3>}	120.0360	0.346	2	120.0360	0.120	2	120.0360	0.120	2	116.9437	3.414	55	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:4:3:	3:3:2:	3:3:3:	C[5,6a,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(S[5]C[5,6a]OO)(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a,6a]S[5])(C[6a]C[5,6a]O)(OC)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])2(C[5,6a]C[6a]S[5])	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(S[5]C[5,6a]OO)(C[6a]C[6a]O){1|O<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]S[5])(C[6a]C[5,6a]O)(OC){1|S<4>,2|O<1>,3|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])2(C[5,6a]C[6a]S[5]){1|O<2>,1|S<4>,2|O<1>,5|C<3>}	117.4595	0.499	6	117.4595	0.249	6	117.4595	0.249	6	116.9437	3.414	55	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:5:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:B[3,3,5]-5:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[3,3,5]B[3,3,5]H[3]2H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]B[3,3,5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]B[3,3,5]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[3,3,5]B[3,3,5]H[3]2H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]B[3,3,5])(C[6a]C[6a]H)(H){1|B<5>,2|C<3>,2|H<1>,2|H<2>}	C[5,6a,6a](C[5,6a]B[3,3,5]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|H<2>,6|H<1>}	118.1995	0.189	2	118.1995	0.036	2	118.1995	0.036	2	118.2357	0.022	3	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	3:5:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:Si[4,4,5]-5:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5,6a,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(Si[4,4,5]Si[4,5]N[4]2O[4])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]Si[4,4,5])(C[6a]C[5,6a]H)(H)	C[5,6a,6a](C[5,6a]Si[4,4,5]C[6a])(C[5,6a]Si[4,5]C[6a])(C[5,6a,6a]C[5,6a]2)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(Si[4,4,5]Si[4,5]N[4]2O[4])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]Si[4,4,5])(C[6a]C[5,6a]H)(H){1|Si<4>,1|C<4>,1|O<2>,2|C<3>,2|N<3>}	C[5,6a,6a](C[5,6a]Si[4,4,5]C[6a])(C[5,6a]Si[4,5]C[6a])(C[5,6a,6a]C[5,6a]2){1|O<2>,2|C<3>,2|H<1>,3|C<4>,3|N<3>}	118.3080	0.000	1	118.3080	0.000	1	118.3080	0.000	1	118.2357	0.022	3	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	4:3:3:	3:3:1:	3:3:3:	C[3x5]-4:C[5,6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[3x5]C[5,5,6]C[5,5]N[5,5])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[3x5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[3x5]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a,6a]C[6a]2)	C[5,6a](C[3x5]C[5,5,6]C[5,5]N[5,5])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,4|C<3>,4|C<4>}	C[6a](C[5,6a]C[5,6a,6a]C[3x5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a,6a](C[5,6a]C[3x5]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a,6a]C[6a]2){1|C<4>,1|O<2>,2|C<3>,2|N<3>,4|H<1>}	118.9215	0.375	4	118.9215	0.141	4	118.9215	0.141	4	118.9957	0.219	11	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	4:3:3:	3:3:1:	3:3:3:	C[4,5,6]-4:C[5,6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[4,5,6]C[4,5,6]C[6,6a]C[4])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[4,5,6])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[4,5,6]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[4,5,6]C[4,5,6]C[6,6a]C[4])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,3|C<4>,6|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[4,5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a,6a](C[5,6a]C[4,5,6]C[6a])2(C[6a,6a]C[6a]2){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	118.3660	0.000	1	118.3660	0.000	1	118.3660	0.000	1	118.9957	0.219	11	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6,6]C[5,6a,6a])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,5,6,6]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,9|C<3>}	C[6a](C[5,6a]C[5,5,6,6]C[5,6a,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a]C[5,5,6,6]C[6a])2(C[6a,6a]C[6a]2){4|H<1>,6|C<3>}	119.9120	0.000	1	119.9120	0.000	1	119.7210	0.073	2	118.9957	0.219	11	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6,6]C[5,6a,6a])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,5,6,6]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,8|C<3>}	C[6a](C[5,6a]C[5,5,6,6]C[5,6a,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a]C[5,5,6,6]C[6a])2(C[6a,6a]C[6a]2){4|H<1>,6|C<3>}	119.5300	0.000	1	119.5300	0.000	1	119.7210	0.073	2	118.9957	0.219	11	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,5,6]C[5,5,6]C[6,6a]C[5,6])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,5,6]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,5,6]C[5,5,6]C[6,6a]C[5,6])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<4>,6|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,4|C<3>}	C[5,6a,6a](C[5,6a]C[5,5,6]C[6a])2(C[6a,6a]C[6a]2){1|C<4>,2|H<1>,2|O<2>,5|C<3>}	118.5560	0.000	1	118.7195	0.053	2	118.7195	0.053	2	118.9957	0.219	11	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,5,6]C[5,5,6]C[6,6a]C[5,6])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[5,5,6]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,5,6]C[5,5,6]C[6,6a]C[5,6])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|O<2>,2|C<4>,3|C<3>}	C[5,6a,6a](C[5,6a]C[5,5,6]C[6a])2(C[6a,6a]C[6a]2){1|C<4>,2|H<1>,2|O<2>,5|C<3>}	118.8830	0.000	1	118.7195	0.053	2	118.7195	0.053	2	118.9957	0.219	11	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	4:3:3:	3:3:1:	3:3:3:	Si[5,5]-4:C[5,6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](Si[5,5]C[5,6a]Si[5,5]C[6a])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]Si[5,5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]C[6a,6a]Si[5,5])(C[5,6a]Si[5,5]C[6a])(C[6a,6a]C[6a]2)	C[5,6a](Si[5,5]C[5,6a]Si[5,5]C[6a])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,9|C<3>}	C[6a](C[5,6a]C[5,6a,6a]Si[5,5])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a]C[6a,6a]Si[5,5])(C[5,6a]Si[5,5]C[6a])(C[6a,6a]C[6a]2){3|H<1>,7|C<3>}	119.0100	0.137	2	119.0100	0.019	2	119.0100	0.019	2	118.9957	0.219	11	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	4:3:3:	3:3:2:	3:3:3:	C[4,5,6]-4:C[5,6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[4,5,6]C[4,5,6]C[6,6a]C[4])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a,6a]C[4,5,6])(C[6a]C[6a]H)(OH)	C[5,6a,6a](C[5,6a]C[4,5,6]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[4,5,6]C[4,5,6]C[6,6a]C[4])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[4,5,6])(C[6a]C[6a]H)(OH){1|H<1>,2|C<4>,3|C<3>}	C[5,6a,6a](C[5,6a]C[4,5,6]C[6a])2(C[6a,6a]C[6a]2){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	117.7640	0.000	1	117.7640	0.000	1	117.7640	0.000	1	117.7640	0.000	1	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	5:3:3:	3:3:1:	3:3:3:	B[3,3,5]-5:C[5,6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](B[3,3,5]B[3,3,5]C[6a]H[3]2)(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]B[3,3,5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6a]B[3,3,5]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](B[3,3,5]B[3,3,5]C[6a]H[3]2)(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a,6a]B[3,3,5])(C[6a]C[6a]H)(H){1|B<5>,1|H<1>,2|H<2>,3|C<3>}	C[5,6a,6a](C[5,6a]B[3,3,5]C[6a])2(C[6a,6a]C[6a]2){2|H<2>,4|C<3>,4|H<1>}	118.0680	0.256	2	118.0680	0.066	2	118.0680	0.066	2	118.0680	0.066	2	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a,6a]	6:3:3:	3:3:1:	3:3:3:	Si[3,3,4,5]-6:C[5,6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5,6a,6a]-3:	C[5,6a](Si[3,3,4,5]Si[3,3,4,5]N[4]2O[3]2)(C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)	C[6a](C[5,6a]Si[3,3,4,5]C[5,6a,6a])(C[6a]C[5,6a]H)(H)	C[5,6a,6a](C[5,6a]Si[3,3,4,5]C[6a])2(C[5,6a,6a]C[5,6a]2)	C[5,6a](Si[3,3,4,5]Si[3,3,4,5]N[4]2O[3]2)(C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,2|C<4>,2|N<3>,4|C<3>}	C[6a](C[5,6a]Si[3,3,4,5]C[5,6a,6a])(C[6a]C[5,6a]H)(H){1|Si<6>,1|C<4>,2|C<3>,2|N<3>,2|O<2>}	C[5,6a,6a](C[5,6a]Si[3,3,4,5]C[6a])2(C[5,6a,6a]C[5,6a]2){2|C<3>,2|C<4>,2|H<1>,2|O<2>,4|N<3>}	117.2940	0.000	1	117.2940	0.000	1	117.2940	0.000	1	117.2940	0.000	1	118.6447	1.415	1996	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:2:3:	3:3:1:	3:2:3:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a](C[5,6a]C[6a]O[5])(O[5]C[5,5,6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(O[5]C[5,5,6])(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[6a]O[5])(O[5]C[5,5,6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(O[5]C[5,5,6])(C[6a]C[6a]O){1|C<3>,2|C<4>,2|H<1>}	123.0030	0.000	1	123.0030	0.000	1	121.5533	1.103	4	120.4426	2.135	8	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:2:3:	3:3:1:	3:2:3:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a](C[5,6a]C[6a]O[5])(O[5]Si[4,4,5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(O[5]Si[4,4,5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[6a]O[5])(O[5]Si[4,4,5])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|N<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){1|Si<6>,1|C<3>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(O[5]Si[4,4,5])(C[6a]C[6a]C){1|C<3>,2|H<1>,4|N<3>}	121.5900	0.000	1	121.5900	0.000	1	121.5533	1.103	4	120.4426	2.135	8	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:2:3:	3:3:1:	3:2:3:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a](C[5,6a]C[6a]O[5])(O[5]Si[4,5,5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(O[5]Si[4,5,5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]O[5])(O[5]Si[4,5,5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|N<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Si<6>,1|C<3>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(O[5]Si[4,5,5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|N<3>}	120.8100	0.317	2	120.8100	0.100	2	121.5533	1.103	4	120.4426	2.135	8	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:2:3:	3:3:1:	3:2:3:	C[5,6a]-3:S[5]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-2:C[6a]-3:	C[5,6a](C[5,6a]C[6a]S[5])(S[5]Nb[3,3x5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(S[5]Nb[3,3x5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]S[5])(S[5]Nb[3,3x5])(C[6a]C[6a]H){1|C<3>,1|S<3>,2|H<1>,4|S<2>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|Nb<7>,1|C<3>,1|H<1>,1|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(S[5]Nb[3,3x5])(C[6a]C[6a]H){1|C<3>,1|S<3>,2|H<1>,4|S<2>}	119.3320	0.768	4	119.3320	0.591	4	119.3320	0.591	4	120.4426	2.135	8	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:2:3:	3:3:1:	3:3:3:	C[5,6a]-3:Br[5]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Br[5]C[5,6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Br[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Br[5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Br[5]C[5,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]Br[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Br[5]C[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	125.7110	0.048	2	125.7110	0.002	2	125.7110	0.002	2	122.1067	4.517	35	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:2:3:	3:3:1:	3:3:3:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(O[5]P[5,5,6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]P[5,5,6]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(O[5]P[5,5,6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<5>,2|C<3>}	C[5,6a](C[5,5]P[5,5,6]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|Cl<1>,2|H<1>,5|C<3>}	120.8580	0.000	1	120.8580	0.000	1	120.8580	0.000	1	122.1067	4.517	35	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:2:3:	3:3:1:	3:3:3:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(O[5]Si[4,5,5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5]Si[4,5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(O[5]Si[4,5,5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Si<5>,1|C<3>,1|H<1>,1|N<3>}	C[5,6a](N[5,5]Si[4,5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	119.9537	0.254	4	119.9537	0.064	4	119.9537	0.064	4	122.1067	4.517	35	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:2:3:	3:3:1:	3:3:3:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6,6]C[6a])(O[5]C[5,6,6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6,6]C[5,6,6]C[3x6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6,6]C[6a])(O[5]C[5,6,6])(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](N[5,6,6]C[5,6,6]C[3x6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	122.6600	0.414	2	122.7123	0.094	3	122.7123	0.094	3	122.1067	4.517	35	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:2:3:	3:3:1:	3:3:3:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6,6]C[6a])(O[5]C[5,6,6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6,6]C[5,6,6]C[3x6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6,6]C[6a])(O[5]C[5,6,6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](N[5,6,6]C[5,6,6]C[3x6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	122.8170	0.000	1	122.7123	0.094	3	122.7123	0.094	3	122.1067	4.517	35	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:2:3:	3:3:1:	3:3:3:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(O[5]C[4,5,6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]C[4,5,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(O[5]C[4,5,6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](N[5,6]C[4,5,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	122.5220	0.000	1	122.5220	0.000	1	122.5220	0.000	1	122.1067	4.517	35	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:2:3:	3:3:1:	3:3:3:	C[5,6a]-3:S[5]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(S[5]C[4,5,6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]C[4,5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(S[5]C[4,5,6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](N[5,6]C[4,5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	121.4140	0.000	1	121.4140	0.000	1	119.7293	1.348	4	122.1067	4.517	35	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:2:3:	3:3:1:	3:3:3:	C[5,6a]-3:S[5]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(S[5]Si[5,6,6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]Si[5,6,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(S[5]Si[5,6,6])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|O<2>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|Si<6>,1|C<3>,1|H<1>,1|N<3>}	C[5,6a](N[5,6]Si[5,6,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>,3|O<2>}	119.1677	0.360	3	119.1677	0.130	3	119.7293	1.348	4	122.1067	4.517	35	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:2:3:	3:3:1:	3:3:3:	C[5,6a]-3:S[5]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	S[3,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]S[3,5]C[6a])(S[5]Nb[3,3x5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](S[3,5]Nb[3,3x5]S[3])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]S[3,5]C[6a])(S[5]Nb[3,3x5])(C[6a]C[6a]H){1|C<3>,2|H<1>,5|S<2>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|Nb<7>,1|C<3>,1|H<1>,1|S<3>}	C[5,6a](S[3,5]Nb[3,3x5]S[3])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<3>,2|H<1>,4|S<2>}	118.1930	0.000	1	118.1930	0.000	1	118.1930	0.000	1	122.1067	4.517	35	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:2:3:	3:3:1:	3:3:3:	C[5,6a]-3:Se[5]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[5,6a])(Se[5]C[5,5a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[5,6a])(C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]Se[5])	C[5,6a](C[5,6a]C[5,5a]C[5,6a])(Se[5]C[5,5a])(C[6a]C[6a]H){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[5,6a]H)(H){1|Se<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[5,6a])(C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]Se[5]){1|Se<2>,1|H<1>,1|S<2>,4|C<3>}	123.5050	0.223	2	123.5050	0.050	2	123.5050	0.050	2	122.1067	4.517	35	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:2:3:	3:3:1:	3:3:3:	C[5,6a]-3:Se[5]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5,5a]-3:	C[5,6a](C[5,6a]C[5,5a]C[5,6a])(Se[5]C[5,5a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[6a]Se[5])(C[5,5a]C[5,5a]2)	C[5,6a](C[5,6a]C[5,5a]C[5,6a])(Se[5]C[5,5a])(C[6a]C[6a]H){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[5,6a]H)(H){1|Se<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[6a]Se[5])(C[5,5a]C[5,5a]2){1|Se<2>,1|H<1>,1|S<2>,5|C<3>}	123.1135	0.084	2	123.1135	0.007	2	123.1135	0.007	2	122.1067	4.517	35	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:2:3:	3:3:1:	3:3:3:	C[5,6a]-3:Se[5]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5a,6a]-3:	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(Se[5]C[5,6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[5a,6a]Si)(H)	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]Se[5])(C[5a,6a]C[5a,6a]2)	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(Se[5]C[5,6a])(C[6a]C[6a]H){1|Si<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[5a,6a]Si)(H){1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]Se[5])(C[5a,6a]C[5a,6a]2){1|H<1>,1|N<3>,6|C<3>}	125.3427	0.174	4	125.3427	0.030	4	125.3427	0.030	4	122.1067	4.517	35	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:2:3:	3:3:1:	3:3:3:	C[5,6a]-3:Se[5]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Se[5]C[5,6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Se[5]C[5,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]2){2|H<1>,6|C<3>}	122.8575	0.312	4	122.8575	0.097	4	121.7511	1.450	11	122.1067	4.517	35	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:2:3:	3:3:1:	3:3:3:	C[5,6a]-3:Se[5]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Se[5]C[5,6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Se[5]C[5,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H){2|H<1>,4|C<3>}	122.3875	0.053	2	121.7930	0.483	4	121.7511	1.450	11	122.1067	4.517	35	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:2:3:	3:3:1:	3:3:3:	C[5,6a]-3:Se[5]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Se[5]C[5,6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Se[5]C[5,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H){3|C<3>,3|H<1>}	121.1985	0.176	2	121.7930	0.483	4	121.7511	1.450	11	122.1067	4.517	35	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:2:3:	3:3:1:	3:3:3:	C[5,6a]-3:Se[5]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Se[5]N[5,6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6a]N[6a])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Se[5]N[5,6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,6a]N[6a])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.2200	0.644	3	120.2200	0.414	3	121.7511	1.450	11	122.1067	4.517	35	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:2:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,3x6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,3x6]C[6a])(N[5]C[5,6,6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,3x6]C[5,6,6]C[6,6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,3x6]C[6a])(N[5]C[5,6,6])(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,3x6]C[5,6,6]C[6,6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	121.4835	0.360	2	121.5013	0.066	3	121.5013	0.066	3	122.5307	0.854	26	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:2:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,3x6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,3x6]C[6a])(N[5]C[5,6,6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,3x6]C[5,6,6]C[6,6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,3x6]C[6a])(N[5]C[5,6,6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,3x6]C[5,6,6]C[6,6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	121.5370	0.000	1	121.5013	0.066	3	121.5013	0.066	3	122.5307	0.854	26	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:2:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,3x6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,3x6]C[6a])(N[5]C[5,6,6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,3x6]C[5,6,6]3)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,3x6]C[6a])(N[5]C[5,6,6])(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,5,3x6]C[5,6,6]3)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>,4|C<4>}	121.6710	0.000	1	121.6710	0.000	1	121.6710	0.000	1	122.5307	0.854	26	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:2:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6])(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	122.3860	0.000	1	122.3860	0.000	1	121.7815	0.731	2	122.5307	0.854	26	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:2:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	121.1770	0.000	1	121.1770	0.000	1	121.7815	0.731	2	122.5307	0.854	26	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:2:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6])(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,4|C<4>,5|H<1>}	121.6660	0.000	1	121.9066	0.055	5	121.9066	0.055	5	122.5307	0.854	26	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:2:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6])(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	121.8415	0.267	2	121.9066	0.055	5	121.9066	0.055	5	122.5307	0.854	26	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:2:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	122.0920	0.113	2	121.9066	0.055	5	121.9066	0.055	5	122.5307	0.854	26	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:2:3:	3:3:1:	4:3:3:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5,5]C[6a])(O[5]C[4,5,5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5,5]C[4,5,5]2Ge[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5,5]C[6a])(O[5]C[4,5,5])(C[6a]C[6a]H){1|Ge<4>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[4,5,5]C[4,5,5]2Ge[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	122.9880	0.000	1	122.9880	0.000	1	123.1820	0.075	2	122.5307	0.854	26	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:2:3:	3:3:1:	4:3:3:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5,5]C[6a])(O[5]C[4,5,5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5,5]C[4,5,5]2Si[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5,5]C[6a])(O[5]C[4,5,5])(C[6a]C[6a]H){1|Si<4>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[4,5,5]C[4,5,5]2Si[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	123.3760	0.000	1	123.3760	0.000	1	123.1820	0.075	2	122.5307	0.854	26	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:2:3:	3:3:1:	4:3:3:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5,6]-4:C[6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[4,5,6]C[6a,6a])(O[5]C[4,5,6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[4,5,6]C[4,5,6]C[6,6a]C[4])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])	C[5,6a](C[5,6a]C[4,5,6]C[6a,6a])(O[5]C[4,5,6])(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(H){2|C<3>,2|C<4>}	C[5,6a](C[4,5,6]C[4,5,6]C[6,6a]C[4])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5]){1|C<4>,4|H<1>,6|C<3>}	124.2440	0.000	1	124.2440	0.000	1	124.2440	0.000	1	122.5307	0.854	26	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:2:3:	3:3:1:	4:3:3:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,3x6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,3x6]C[6a])(O[5]C[5,6,6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,3x6]C[5,6,6]C[6,6]2)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,3x6]C[6a])(O[5]C[5,6,6])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,3x6]C[5,6,6]C[6,6]2)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){2|C<4>,3|C<3>,6|H<1>}	123.4390	0.492	2	123.4390	0.242	2	123.4390	0.242	2	122.5307	0.854	26	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:2:3:	3:3:1:	4:3:3:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(O[5]C[5,5,6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(O[5]C[5,5,6])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	122.2640	0.000	1	122.2640	0.000	1	122.8742	1.109	6	122.5307	0.854	26	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:2:3:	3:3:1:	4:3:3:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(O[5]C[5,5,6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(O[5]C[5,5,6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	121.8710	0.000	1	121.8710	0.000	1	122.8742	1.109	6	122.5307	0.854	26	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:2:3:	3:3:1:	4:3:3:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(O[5]C[5,5,6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[6]N[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(O[5]C[5,5,6])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[6]N[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	121.6790	0.000	1	121.6790	0.000	1	122.8742	1.109	6	122.5307	0.854	26	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:2:3:	3:3:1:	4:3:3:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(O[5]C[5,5,6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[6]N[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(O[5]C[5,5,6])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[6]N[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|S<4>,3|C<3>,4|H<1>}	124.0570	0.000	1	124.0570	0.000	1	122.8742	1.109	6	122.5307	0.854	26	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:2:3:	3:3:1:	4:3:3:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(O[5]C[5,5,6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[6]N[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(O[5]C[5,5,6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[6]N[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	123.6870	0.127	2	123.6870	0.016	2	122.8742	1.109	6	122.5307	0.854	26	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:2:3:	3:3:1:	4:3:3:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(O[5]C[5,6,6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(O[5]C[5,6,6])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>}	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	123.1755	0.576	2	122.9740	0.288	3	122.9490	0.194	4	122.5307	0.854	26	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:2:3:	3:3:1:	4:3:3:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(O[5]C[5,6,6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(O[5]C[5,6,6])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	122.5710	0.000	1	122.9740	0.288	3	122.9490	0.194	4	122.5307	0.854	26	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:2:3:	3:3:1:	4:3:3:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(O[5]C[5,6,6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6]C[5,6,6]C[6]O[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(O[5]C[5,6,6])(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6,6]C[5,6,6]C[6]O[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	122.8740	0.000	1	122.8740	0.000	1	122.9490	0.194	4	122.5307	0.854	26	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:2:3:	3:3:1:	6:3:3:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5x3,6x5,20x6]-6:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5x3,6x5,20x6]C[6a])(O[5]B[5x3,6x5,20x6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,5x5,20x6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5x3,6x5,20x6]C[6a])(O[5]B[5x3,6x5,20x6])(C[6a]C[6a]H){1|C<3>,1|C<6>,2|H<1>,5|B<6>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|B<6>,1|C<3>,1|C<6>,1|F<1>}	C[5,6a](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,5x5,20x6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|F<1>,5|B<6>,5|H<1>}	120.6420	0.000	1	120.8320	0.072	2	121.3307	0.782	3	121.3307	0.782	3	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:2:3:	3:3:1:	6:3:3:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5x3,6x5,20x6]-6:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5x3,6x5,20x6]C[6a])(O[5]B[5x3,6x5,20x6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,5x5,20x6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5x3,6x5,20x6]C[6a])(O[5]B[5x3,6x5,20x6])(C[6a]C[6a]H){1|C<3>,1|C<6>,2|H<1>,5|B<6>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|B<6>,1|C<3>,1|C<6>,1|H<1>}	C[5,6a](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,5x5,20x6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,5|B<6>,5|H<1>}	121.0220	0.000	1	120.8320	0.072	2	121.3307	0.782	3	121.3307	0.782	3	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:2:3:	3:3:1:	6:3:3:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5x3,6x5,20x6]-6:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5x3,6x5,20x6]C[6a])(O[5]B[5x3,6x5,20x6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,5x5,20x6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5x3,6x5,20x6]C[6a])(O[5]B[5x3,6x5,20x6])(C[6a]C[6a]H){1|C<3>,1|C<6>,1|H<1>,1|O<2>,5|B<6>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|B<6>,1|C<3>,1|C<6>,1|H<1>}	C[5,6a](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,5x5,20x6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|C<3>,5|B<6>,6|H<1>}	122.3280	0.000	1	122.3280	0.000	1	121.3307	0.782	3	121.3307	0.782	3	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:2:3:	3:3:2:	3:2:3:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a](C[5,6a]C[6a]O[5])(O[5]C[5,5,6])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OH)	C[5,6a](C[5,6a]C[6a]O[5])(O[5]C[5,5,6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]O[5])(O[5]C[5,5,6])(C[6a]C[6a]O){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OH){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(O[5]C[5,5,6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>}	121.3390	0.000	1	121.3390	0.000	1	121.3390	0.000	1	121.3390	0.000	1	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:2:3:	3:3:2:	4:3:3:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:O-2:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(O[5]C[5,5,6,6])(C[6a]C[6,6a]O)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(OH)	C[5,6a](C[5,5,6]C[5,5,6,6]C[5,6a]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(O[5]C[5,5,6,6])(C[6a]C[6,6a]O){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(OH){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,5,6]C[5,5,6,6]C[5,6a]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	120.5260	0.000	1	120.5260	0.000	1	120.5260	0.000	1	121.8275	3.388	2	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:2:3:	3:3:2:	4:3:3:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(O[5]C[5,6,6])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OH)	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(O[5]C[5,6,6])(C[6a]C[6a]O){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	123.1290	0.000	1	123.1290	0.000	1	123.1290	0.000	1	121.8275	3.388	2	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:2:3:	3:3:3:	4:3:3:	C[5,6a]-3:Ge[5]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(Ge[5]N[5,5,6])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]Ge[5])(C[6a]C[6a]H)(CHN)	C[5,6a](C[5,5,6]C[5,5,6]N[5,5,6]H)(C[5,6a]C[6a]Ge[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(Ge[5]N[5,5,6])(C[6a]C[6a]C){1|Ge<3>,1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]Ge[5])(C[6a]C[6a]H)(CHN){1|C<3>,1|C<4>,1|H<1>,1|N<4>}	C[5,6a](C[5,5,6]C[5,5,6]N[5,5,6]H)(C[5,6a]C[6a]Ge[5])(C[6a]C[6a]H){1|Ge<3>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	119.1530	0.000	1	119.1530	0.000	1	119.1530	0.000	1	121.6905	12.878	2	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:2:3:	3:3:3:	4:3:3:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(O[5]C[5,6,6])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(CCO)	C[5,6a](C[5,6]C[5,6,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(O[5]C[5,6,6])(C[6a]C[6a]C){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(CCO){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6]C[5,6,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){2|C<4>,3|C<3>,3|H<1>}	124.2280	0.000	1	124.2280	0.000	1	124.2280	0.000	1	121.6905	12.878	2	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:2:3:	3:3:4:	3:2:3:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a](C[5,6a]C[6a]O[5])(O[5]Si[4,4,5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3)	C[5,6a](C[5,6a]C[6a]O[5])(O[5]Si[4,4,5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]O[5])(O[5]Si[4,4,5])(C[6a]C[6a]C){1|C<3>,2|H<1>,4|N<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3){1|Si<6>,1|C<3>,1|C<4>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(O[5]Si[4,4,5])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|N<3>}	120.9350	0.000	1	120.9350	0.000	1	120.9350	0.000	1	120.9350	0.000	1	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:2:3:	3:3:4:	3:3:3:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	N[5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(O[5]In[4,5,5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3)	C[5,6a](N[5]In[4,5,5]C[6a])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(O[5]In[4,5,5])(C[6a]C[6a]C){1|N<3>,1|O<2>,2|C<3>,2|H<1>,2|S<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3){1|In<6>,1|C<3>,1|C<4>,1|N<3>}	C[5,6a](N[5]In[4,5,5]C[6a])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<4>,2|S<2>,3|C<3>}	119.1135	0.019	2	119.1135	0.000	2	119.1135	0.000	2	118.7185	4.336	13	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:2:3:	3:3:4:	3:3:3:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	O[4,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]O[4,5]C[6a])(O[5]In[4,5,5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3)	C[5,6a](O[4,5]In[4,5,5]In[4])(C[5,6a]C[6a]O[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]O[4,5]C[6a])(O[5]In[4,5,5])(C[6a]C[6a]C){1|In<4>,1|C<3>,1|C<4>,1|H<1>,1|O<2>,3|O<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3){1|In<6>,1|C<3>,1|H<1>,1|O<3>}	C[5,6a](O[4,5]In[4,5,5]In[4])(C[5,6a]C[6a]O[5])(C[6a]C[6a]C){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|I<1>,3|O<3>}	120.7150	0.000	1	120.7150	0.000	1	120.7150	0.000	1	118.7185	4.336	13	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:2:3:	3:3:4:	3:3:3:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	S[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]S[5,5]C[6a])(O[5]In[4,3x5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3)	C[5,6a](S[5,5]In[4,3x5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]S[5,5]C[6a])(O[5]In[4,3x5])(C[6a]C[6a]C){1|C<3>,1|C<4>,1|O<2>,1|S<3>,2|H<1>,2|O<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3){1|In<6>,1|C<3>,1|C<4>,1|S<3>}	C[5,6a](S[5,5]In[4,3x5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<3>,2|H<1>,2|O<3>,3|C<4>}	117.3740	0.442	8	117.3740	0.195	8	117.3740	0.195	8	118.7185	4.336	13	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:2:3:	3:3:4:	3:3:3:	C[5,6a]-3:Se[5]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Se[5]C[5,6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Se[5]C[5,6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(CH3){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	122.7030	0.386	2	122.7030	0.149	2	122.7030	0.149	2	118.7185	4.336	13	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:2:3:	3:3:4:	4:3:3:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(O[5]C[5,5,6])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]O[6a]C)(CH3)	C[5,6a](C[5,5]C[5,5,6]O[5]H)(C[5,6a]C[6a]O[5])(C[6a]O[6a]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(O[5]C[5,5,6])(C[6a]C[6a]C){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]O[6a]C)(CH3){1|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5,6]O[5]H)(C[5,6a]C[6a]O[5])(C[6a]O[6a]O){2|C<3>,3|C<4>}	124.9050	0.000	1	124.9050	0.000	1	124.9050	0.000	1	124.9050	0.000	1	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:2:3:	3:3:4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[5,6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]S[5])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(S[5]C[5]){4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]S[5])(C[5]C[5]HH){1|N<2>,2|H<1>,4|C<3>}	121.0410	0.000	1	121.0410	0.000	1	121.0410	0.000	1	121.0410	0.000	1	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:2:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[6a]-2:N[5]-2:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]Se[5])	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]){1|C<3>,1|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Se<2>,1|H<1>,2|N<2>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]Se[5]){1|C<3>,2|H<1>}	118.5355	0.469	4	118.5355	0.220	4	118.5355	0.220	4	118.3533	0.198	8	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:2:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[6a]-2:S[5]-2:	C[5,6a](C[5,6a]N[6a]S[5])(C[6a]C[6a]H)(S[5]N[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[6a])(S[5]N[5])	C[5,6a](C[5,6a]N[6a]S[5])(C[6a]C[6a]H)(S[5]N[5]){1|C<3>,1|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|N<2>}	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[6a])(S[5]N[5]){1|C<3>,2|H<1>}	118.1710	0.390	4	118.1710	0.152	4	118.1710	0.152	4	118.3533	0.198	8	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5,6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]Cl)(N[5]S[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[5,6a]C[5,6a]S[5])(Cl)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]Cl)(S[5]S[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]Cl)(N[5]S[5]){1|Cl<1>,1|C<3>,1|S<2>}	C[6a](C[5,6a]C[5,6a]N[5])(C[5,6a]C[5,6a]S[5])(Cl){1|C<3>,1|N<2>,3|S<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]Cl)(S[5]S[5]){1|Cl<1>,1|C<3>,1|N<2>}	118.8815	2.497	2	118.8815	6.234	2	118.0890	4.619	4	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5,6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]Cl)(N[5]Se[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[5,6a]C[5,6a]S[5])(Cl)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]Cl)(S[5]Se[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]Cl)(N[5]Se[5]){1|Cl<1>,1|C<3>,1|S<2>}	C[6a](C[5,6a]C[5,6a]N[5])(C[5,6a]C[5,6a]S[5])(Cl){2|Se<2>,1|C<3>,1|N<2>,1|S<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]Cl)(S[5]Se[5]){1|Cl<1>,1|C<3>,1|N<2>}	117.2965	2.261	2	117.2965	5.110	2	118.0890	4.619	4	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(N[5]C[5]){2|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(N[5]C[5]){2|Cl<1>,1|C<3>,1|H<1>}	120.6625	1.811	2	120.6625	3.279	2	120.6625	3.279	2	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]F)(N[5]S[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]F)(S[5]S[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]F)(N[5]S[5]){1|C<3>,1|N<2>,2|F<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(F){1|C<3>,1|H<1>,1|S<2>,1|S<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]F)(S[5]S[5]){1|C<3>,1|F<1>,1|H<1>,1|N<2>}	117.6100	0.000	1	117.6100	0.000	1	117.6100	0.000	1	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]F)(N[5]S[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]F)(Se[5]S[5])	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]F)(N[5]S[5]){1|C<3>,1|N<2>,2|F<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(F){1|Se<2>,1|C<3>,1|H<1>,1|S<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]F)(Se[5]S[5]){1|C<3>,1|F<1>,1|H<1>,1|N<2>}	117.7550	0.000	1	117.7550	0.000	1	117.7550	0.000	1	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(N[5]Se[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]S[5])(C[5,6a]C[6a]N[5])(S[5]Se[5])	C[5,6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(N[5]Se[5]){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[5,6a]H)(H){1|Se<2>,1|C<3>,1|N<2>,1|S<2>}	C[5,6a](C[5,6a]C[5,6a]S[5])(C[5,6a]C[6a]N[5])(S[5]Se[5]){1|Se<2>,1|C<3>,1|H<1>,1|N<2>}	118.6683	0.469	3	118.6683	0.219	3	118.6683	0.219	3	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<2>,1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<2>,1|C<3>,2|H<1>}	121.5580	1.482	2	121.7099	5.000	33	121.4296	4.882	38	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,2|H<1>}	121.4158	1.020	10	121.7099	5.000	33	121.4296	4.882	38	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|N<3>,2|H<1>}	120.8928	0.784	8	121.7099	5.000	33	121.4296	4.882	38	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|S<2>,2|H<1>}	120.8100	1.377	2	121.7099	5.000	33	121.4296	4.882	38	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,3|H<1>}	129.1090	3.616	2	121.7099	5.000	33	121.4296	4.882	38	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]){2|C<3>,2|H<1>}	121.3341	1.232	8	121.7099	5.000	33	121.4296	4.882	38	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,2|N<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]){1|H<1>,1|N<2>,2|C<3>}	121.5000	0.000	1	121.7099	5.000	33	121.4296	4.882	38	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]){2|C<3>,2|H<1>}	120.0890	0.000	1	120.0890	0.000	1	121.4296	4.882	38	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Se<2>,1|C<3>,1|H<1>,1|N<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]){1|C<3>,2|H<1>}	119.8040	0.000	1	119.8040	0.000	1	121.4296	4.882	38	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]){1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|C<4>,1|N<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]){1|C<3>,1|C<4>,1|H<1>}	118.8370	0.000	1	119.3343	0.220	3	121.4296	4.882	38	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]){1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|H<1>,1|N<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]){1|C<3>,2|H<1>}	119.5830	0.264	2	119.3343	0.220	3	121.4296	4.882	38	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){2|H<1>,3|C<3>}	120.6070	0.000	1	120.6070	0.000	1	119.4403	0.489	11	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]S[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]S[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]S[5]){1|C<3>,1|F<1>,1|H<1>,1|N<2>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(H){1|C<3>,1|F<1>,1|S<2>,1|S<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]S[5]){1|C<3>,1|F<1>,1|H<1>,1|N<2>}	118.5680	0.000	1	118.5680	0.000	1	119.4403	0.489	11	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]S[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]S[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]S[5]){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>,1|S<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]S[5]){1|C<3>,1|N<2>,2|H<1>}	118.6990	0.000	1	119.5270	0.248	8	119.4403	0.489	11	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]S[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]S[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]S[5]){1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|S<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]S[5]){1|C<3>,2|H<1>}	119.6453	0.398	7	119.5270	0.248	8	119.4403	0.489	11	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]Se[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]Se[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]Se[5]){1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|H<1>,1|S<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]Se[5]){1|C<3>,2|H<1>}	118.4520	0.000	1	118.4520	0.000	1	119.4403	0.489	11	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5])	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Se<2>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5]){1|C<3>,1|S<2>,2|H<1>}	119.6450	0.590	3	119.5883	0.245	4	120.2260	1.553	9	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5])	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5]){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Se<2>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5]){2|C<3>,2|H<1>}	119.4180	0.000	1	119.5883	0.245	4	120.2260	1.553	9	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]N[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]N[5])	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]N[5]){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]N[5]){2|C<3>,2|H<1>}	121.3725	0.471	4	121.3725	0.222	4	120.2260	1.553	9	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]Se[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]Se[5])	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]Se[5]){1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|Se<2>,1|C<3>,1|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]Se[5]){1|C<3>,2|H<1>}	118.1910	0.000	1	118.1910	0.000	1	120.2260	1.553	9	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6a]C[6a]H)(N[5]Se[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6,6a]H)(H)	C[5,6a](C[6,6a]C[6,6a]N[6])(C[5,6a]C[6a]N[5])(N[5]Se[5])	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6,6a]H)(H){1|Se<2>,1|N<2>,2|C<3>}	C[5,6a](C[6,6a]C[6,6a]N[6])(C[5,6a]C[6a]N[5])(N[5]Se[5]){1|C<4>,1|H<1>,3|C<3>}	120.7280	0.000	1	120.7280	0.000	1	120.7280	0.000	1	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a,6a]S[5])(C[6a]C[6a]H)(N[5]S[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(S[5]S[5])	C[5,6a](C[5,6a]C[6a,6a]S[5])(C[6a]C[6a]H)(N[5]S[5]){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a,6a]H)(H){2|C<3>,2|S<2>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(S[5]S[5]){2|H<1>,3|C<3>}	118.0075	0.578	2	118.0075	0.334	2	118.0075	0.334	2	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:Se[5]-2:	C[5,6a](C[5,6a]C[6a,6a]Se[5])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(Se[5]C[5])	C[5,6a](C[5,6a]C[6a,6a]Se[5])(C[6a]C[6a]H)(N[5]C[5]){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a,6a]H)(H){1|Se<2>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(Se[5]C[5]){2|H<1>,4|C<3>}	119.7485	0.057	2	119.7485	0.003	2	119.2920	0.627	3	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:Se[5]-2:	C[5,6a](C[5,6a]C[6a,6a]Se[5])(C[6a]C[6a]H)(N[5]Se[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(Se[5]Se[5])	C[5,6a](C[5,6a]C[6a,6a]Se[5])(C[6a]C[6a]H)(N[5]Se[5]){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a,6a]H)(H){2|Se<2>,2|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(Se[5]Se[5]){2|H<1>,3|C<3>}	118.3790	0.000	1	118.3790	0.000	1	119.2920	0.627	3	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:N[6a]-3:N[5]-2:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5])	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]){1|H<1>,1|N<3>,2|O<1>}	121.0995	0.425	2	121.0995	0.181	2	121.8405	0.509	17	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:N[6a]-3:N[5]-2:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]N[5])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]N[5])	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]N[5]){1|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O){1|N<3>,1|O<1>,2|N<2>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]N[5]){1|N<3>,2|O<1>}	121.9808	0.699	14	121.9808	0.488	14	121.8405	0.509	17	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:N[6a]-3:N[5]-2:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]N[5])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]N[5])	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]N[5]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|N<3>,1|O<1>,2|N<2>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]N[5]){1|N<3>,2|O<1>}	121.3580	0.000	1	121.3580	0.000	1	121.8405	0.509	17	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5a,6a]-3:C[5,6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5a,6a]Cl)(N[5]S[5])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]N[5])(Cl)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]Cl)(S[5]S[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5a,6a]Cl)(N[5]S[5]){1|Cl<1>,1|C<3>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]N[5])(Cl){1|C<3>,1|N<2>,3|S<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]Cl)(S[5]S[5]){1|Cl<1>,1|C<3>,1|N<2>}	119.0410	0.000	1	119.0410	0.000	1	119.0410	0.000	1	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5a,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5a,6a]O)(N[5]S[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]N)(S[5]S[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5a,6a]O)(N[5]S[5]){1|C<3>,1|N<2>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(O){1|C<3>,4|S<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]N)(S[5]S[5]){1|C<3>,1|O<1>,1|S<2>}	121.6750	0.000	1	121.6750	0.000	1	121.6750	0.000	1	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]Cl)(O[5]Ga[3x5])	C[6a](C[5,6a]C[5,6a]O[5])2(Cl)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]Cl)(O[5]Ga[3x5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]Cl)(O[5]Ga[3x5]){1|Cl<1>,1|C<3>,1|O<2>,3|N<4>}	C[6a](C[5,6a]C[5,6a]O[5])2(Cl){2|Ga<5>,1|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]Cl)(O[5]Ga[3x5]){1|Cl<1>,1|C<3>,1|O<2>,3|N<4>}	119.3385	1.548	2	119.3385	2.396	2	119.3385	2.396	2	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	122.9490	0.000	1	122.9490	0.000	1	123.1840	0.355	67	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	122.7575	0.200	2	123.1395	0.216	8	123.1840	0.355	67	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|N<3>,1|O<2>,4|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	123.9040	0.000	1	123.1395	0.216	8	123.1840	0.355	67	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H){1|O<2>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	123.2753	0.432	3	123.1395	0.216	8	123.1840	0.355	67	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H){1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	122.9355	0.293	2	123.1395	0.216	8	123.1840	0.355	67	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|O<2>,2|H<1>}	121.9220	0.000	1	122.7519	0.167	28	123.1840	0.355	67	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|H<1>,2|C<4>,3|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	122.6800	0.000	1	122.7519	0.167	28	123.1840	0.355	67	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	124.0110	0.000	1	122.7519	0.167	28	123.1840	0.355	67	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	122.6590	0.245	2	122.7519	0.167	28	123.1840	0.355	67	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	122.8280	0.000	1	122.7519	0.167	28	123.1840	0.355	67	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	122.9320	0.000	1	122.7519	0.167	28	123.1840	0.355	67	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	121.8640	0.000	1	122.7519	0.167	28	123.1840	0.355	67	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	122.6865	0.327	4	122.7519	0.167	28	123.1840	0.355	67	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	122.7470	0.367	4	122.7519	0.167	28	123.1840	0.355	67	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|N<3>,2|C<3>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	122.8045	0.161	4	122.7519	0.167	28	123.1840	0.355	67	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){2|C<3>,2|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	122.4140	0.000	1	122.7519	0.167	28	123.1840	0.355	67	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){2|C<3>,2|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	122.7755	0.073	2	122.7519	0.167	28	123.1840	0.355	67	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	123.2970	0.000	1	122.7519	0.167	28	123.1840	0.355	67	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	122.8645	0.098	2	122.7519	0.167	28	123.1840	0.355	67	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){2|C<3>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	122.7770	0.216	2	122.7519	0.167	28	123.1840	0.355	67	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])2(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[5,6a]C[5,6a]O[5])2(H){1|C<3>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	123.7425	0.394	6	123.6071	0.231	30	123.1840	0.355	67	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])2(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])2(H){1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,2|H<1>}	123.8820	0.000	1	123.6071	0.231	30	123.1840	0.355	67	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])2(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])2(H){1|C<3>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	123.2955	0.526	6	123.6071	0.231	30	123.1840	0.355	67	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])2(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])2(H){1|C<3>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	123.7084	0.515	14	123.6071	0.231	30	123.1840	0.355	67	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])2(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])2(H){1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	123.3953	0.177	3	123.6071	0.231	30	123.1840	0.355	67	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-2:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[5,6a]P[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(P[5]C[5])	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|H<1>,1|P<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[5,6a]P[5])(H){1|O<2>,1|P<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(P[5]C[5]){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	124.4080	0.000	1	124.4080	0.000	1	124.4080	0.000	1	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6,6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]Br)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(Br)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]Br)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(Br){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|Br<1>,2|C<3>,2|H<1>}	121.3730	0.000	1	121.3730	0.000	1	121.3730	0.000	1	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]2)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]2)(H){1|C<4>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	122.6150	0.000	1	122.1300	0.194	3	122.0203	0.210	232	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]2)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]2)(H){1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	121.8875	0.189	2	122.1300	0.194	3	122.0203	0.210	232	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]Br)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|Br<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]Br)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	122.8050	0.000	1	122.8050	0.000	1	122.0203	0.210	232	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,2|H<1>}	122.9490	0.000	1	121.9388	0.166	174	122.0203	0.210	232	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|F<1>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	122.6940	0.000	1	121.9388	0.166	174	122.0203	0.210	232	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	121.7850	0.000	1	121.9388	0.166	174	122.0203	0.210	232	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	121.9990	0.298	9	121.9388	0.166	174	122.0203	0.210	232	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|H<1>,1|N<4>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	121.4450	0.000	1	121.9388	0.166	174	122.0203	0.210	232	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	121.5410	0.000	1	121.9388	0.166	174	122.0203	0.210	232	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	121.6790	0.193	3	121.9388	0.166	174	122.0203	0.210	232	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	121.8306	0.345	12	121.9388	0.166	174	122.0203	0.210	232	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|N<4>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	121.7267	0.251	3	121.9388	0.166	174	122.0203	0.210	232	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	121.6984	0.407	28	121.9388	0.166	174	122.0203	0.210	232	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	121.7590	0.364	3	121.9388	0.166	174	122.0203	0.210	232	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	121.8503	0.610	4	121.9388	0.166	174	122.0203	0.210	232	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|N<2>,3|H<1>}	121.9080	0.000	1	121.9388	0.166	174	122.0203	0.210	232	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	122.0437	0.123	3	121.9388	0.166	174	122.0203	0.210	232	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	122.0331	0.508	9	121.9388	0.166	174	122.0203	0.210	232	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	122.2400	0.547	4	121.9388	0.166	174	122.0203	0.210	232	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	121.8096	0.338	19	121.9388	0.166	174	122.0203	0.210	232	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	122.4770	0.000	1	121.9388	0.166	174	122.0203	0.210	232	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	122.3320	0.275	3	121.9388	0.166	174	122.0203	0.210	232	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	122.0549	0.421	17	121.9388	0.166	174	122.0203	0.210	232	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	122.1278	0.422	6	121.9388	0.166	174	122.0203	0.210	232	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	121.9522	0.217	13	121.9388	0.166	174	122.0203	0.210	232	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|O<2>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	122.1890	0.000	1	121.9388	0.166	174	122.0203	0.210	232	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){2|C<3>,2|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	122.1480	0.000	1	121.9388	0.166	174	122.0203	0.210	232	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	121.8300	0.415	4	121.9388	0.166	174	122.0203	0.210	232	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	122.0775	0.602	2	121.9388	0.166	174	122.0203	0.210	232	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	121.7705	0.338	4	121.9388	0.166	174	122.0203	0.210	232	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	121.9610	0.212	5	121.9388	0.166	174	122.0203	0.210	232	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	122.1760	0.342	2	121.9388	0.166	174	122.0203	0.210	232	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,1|N<3>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	122.2440	0.407	4	121.9388	0.166	174	122.0203	0.210	232	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,1|N<3>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	122.2630	0.107	2	121.9388	0.166	174	122.0203	0.210	232	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	122.0150	0.000	1	121.9388	0.166	174	122.0203	0.210	232	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	122.3537	0.549	3	121.9388	0.166	174	122.0203	0.210	232	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|N<2>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	121.9250	0.000	1	121.9388	0.166	174	122.0203	0.210	232	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	122.7490	0.000	1	121.9388	0.166	174	122.0203	0.210	232	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]O)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	122.3900	0.000	1	122.6015	0.089	2	122.0203	0.210	232	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]O)(O[5]C[5]){2|C<3>,3|H<1>}	122.8130	0.000	1	122.6015	0.089	2	122.0203	0.210	232	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]N[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|N<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]N[6])(H){1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	122.1620	0.000	1	122.8216	0.263	11	122.0203	0.210	232	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]N[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]N[6])(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	122.4170	0.285	3	122.8216	0.263	11	122.0203	0.210	232	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]N[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]N[6])(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	122.9330	0.004	2	122.8216	0.263	11	122.0203	0.210	232	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]N[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]N[6])(H){1|N<2>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	123.3300	0.134	2	122.8216	0.263	11	122.0203	0.210	232	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]N[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]N[6])(H){1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	123.0330	0.650	3	122.8216	0.263	11	122.0203	0.210	232	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]O[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]O[6])(H){1|C<3>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	122.0347	0.377	18	122.1072	0.184	38	122.0203	0.210	232	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]O[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]O[6])(H){1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	122.1451	0.494	17	122.1072	0.184	38	122.0203	0.210	232	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]O[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]O[6])(H){1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	122.3270	0.342	3	122.1072	0.184	38	122.0203	0.210	232	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]S[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|S<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]S[6])(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|O<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	121.9460	0.182	3	121.9460	0.033	3	122.0203	0.210	232	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a,6a]C[6a,6a]2)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a,6a]C[6a,6a]2)(H){1|C<4>,1|N<2>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	122.6480	0.000	1	122.7953	0.076	6	122.3905	0.249	12	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a,6a]C[6a,6a]2)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a,6a]C[6a,6a]2)(H){1|C<4>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	122.8248	0.298	5	122.7953	0.076	6	122.3905	0.249	12	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]P[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a,6a]C[6a,6a]2)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]P[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]P[5,6]){1|H<1>,2|C<3>,2|N<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a,6a]C[6a,6a]2)(H){1|O<2>,1|P<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]P[5,6]){1|H<1>,2|C<3>,2|N<2>}	121.9857	0.279	6	121.9857	0.078	6	122.3905	0.249	12	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Br)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(Br)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Br)(O[5]C[5]){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(Br){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5]){1|Br<1>,1|C<3>,3|H<1>}	122.9567	0.273	3	122.9567	0.074	3	121.2948	1.289	13	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Br)(O[5]Si[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Br)(Br)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Br)(O[5]Si[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Br)(O[5]Si[5,5]){2|Br<1>,1|C<3>,3|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Br)(Br){1|Br<1>,1|Si<5>,1|C<3>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Br)(O[5]Si[5,5]){2|Br<1>,1|C<3>,3|O<2>}	120.9521	0.697	8	120.7962	0.505	10	121.2948	1.289	13	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Br)(O[5]Si[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Br)(Br)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Br)(O[5]Si[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Br)(O[5]Si[5,5]){2|Br<1>,1|C<3>,4|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Br)(Br){1|Br<1>,1|Si<6>,1|C<3>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Br)(O[5]Si[5,5]){2|Br<1>,1|C<3>,4|O<2>}	120.1725	0.414	2	120.7962	0.505	10	121.2948	1.289	13	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]Ge[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]Ge[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]Ge[5,5]){2|Cl<1>,2|C<3>,2|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|Ge<5>,1|C<3>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]Ge[5,5]){2|Cl<1>,2|C<3>,2|O<2>}	120.2465	0.198	4	120.2465	0.039	4	121.1223	1.913	108	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]In[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]In[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]In[5]){3|Cl<1>,1|C<3>,3|N<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|In<6>,1|C<3>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]In[5]){3|Cl<1>,1|C<3>,3|N<3>}	118.8860	0.549	2	118.8860	0.301	2	121.1223	1.913	108	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[3,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[3,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[3,5]){2|Cl<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|O<2>,1|P<5>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[3,5]){2|Cl<1>,4|C<3>}	121.4895	0.866	2	121.4895	0.750	2	121.1223	1.913	108	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[3x5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[3x5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[3x5]){2|Cl<1>,1|C<3>,4|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|O<2>,1|P<6>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[3x5]){2|Cl<1>,1|C<3>,4|O<2>}	121.0391	1.427	76	121.0583	1.999	78	121.1223	1.913	108	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[3x5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[3x5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[3x5]){2|Cl<1>,2|C<3>,3|N<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|O<2>,1|P<6>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[3x5]){2|Cl<1>,2|C<3>,3|N<3>}	121.7895	0.112	2	121.0583	1.999	78	121.1223	1.913	108	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[4,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[4,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[4,5]){2|Cl<1>,1|C<3>,1|O<2>,2|N<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|O<2>,1|P<5>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[4,5]){2|Cl<1>,1|C<3>,1|O<2>,2|N<3>}	121.7375	1.595	2	121.7375	2.543	2	121.1223	1.913	108	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5,5]){2|Cl<1>,2|C<3>,2|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|O<2>,1|P<5>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5,5]){2|Cl<1>,2|C<3>,2|O<2>}	121.9315	1.578	4	121.7365	1.179	8	121.1223	1.913	108	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5,5]){2|Cl<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|O<2>,1|P<5>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5,5]){2|Cl<1>,4|C<3>}	121.5415	0.398	4	121.7365	1.179	8	121.1223	1.913	108	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5,6,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5,6,6])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5,6,6]){2|Cl<1>,1|C<3>,3|N<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|O<2>,1|P<5>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5,6,6]){2|Cl<1>,1|C<3>,3|N<3>}	121.7235	2.336	2	121.7235	5.455	2	121.1223	1.913	108	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5,6]){2|Cl<1>,1|C<3>,1|N<3>,2|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|O<2>,1|P<5>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5,6]){2|Cl<1>,1|C<3>,1|N<3>,2|O<2>}	121.3945	2.709	2	121.3945	7.338	2	121.1223	1.913	108	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5]){2|Cl<1>,1|C<3>,1|N<2>,2|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|O<2>,1|P<5>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5]){2|Cl<1>,1|C<3>,1|N<2>,2|O<2>}	121.2260	0.242	2	121.6655	0.769	8	121.1223	1.913	108	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5]){2|Cl<1>,1|C<3>,1|N<3>,2|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|O<2>,1|P<5>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5]){2|Cl<1>,1|C<3>,1|N<3>,2|O<2>}	121.7280	1.056	4	121.6655	0.769	8	121.1223	1.913	108	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5]){2|Cl<1>,2|C<3>,2|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|O<2>,1|P<5>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5]){2|Cl<1>,2|C<3>,2|O<2>}	121.9800	1.177	2	121.6655	0.769	8	121.1223	1.913	108	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]F)(O[5]Si[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]F)(O[5]Si[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]F)(O[5]Si[5,5]){1|C<3>,2|F<1>,3|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]F)(F){1|Si<5>,1|C<3>,1|F<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]F)(O[5]Si[5,5]){1|C<3>,2|F<1>,3|O<2>}	120.2886	0.394	8	120.2886	0.155	8	120.2886	0.155	8	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6a]H)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	122.8948	0.196	4	122.9654	0.054	5	122.5450	0.721	20	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6a]H)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|C<4>,3|C<3>,3|H<1>}	123.2480	0.000	1	122.9654	0.054	5	122.5450	0.721	20	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]Ge[5])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ge<3>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6a]H)(H){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]Ge[5])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|Cl<1>,1|N<3>,2|C<3>,3|H<1>}	122.5390	0.133	2	122.7107	0.061	4	122.5450	0.721	20	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]Ge[5])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ge<3>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6a]H)(H){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]Ge[5])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|Ge<3>,1|N<3>,2|C<3>,3|H<1>}	122.8825	0.220	2	122.7107	0.061	4	122.5450	0.721	20	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[5])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6a]H)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[5,6a]N[5])(C[5,6a]C[6a]O[5])(O[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	124.9990	0.000	1	124.9990	0.000	1	122.5450	0.721	20	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]Nb[5,5])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Nb<6>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6a]H)(H){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]Nb[5,5])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|Cl<1>,1|N<2>,2|N<3>,3|C<3>,3|H<1>}	122.4027	0.412	6	122.1497	0.344	8	122.5450	0.721	20	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]Nb[5,5])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Nb<6>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6a]H)(H){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]Nb[5,5])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|N<2>,1|O<2>,2|N<3>,3|C<3>,3|H<1>}	121.3910	0.161	2	122.1497	0.344	8	122.5450	0.721	20	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a]Nb[3,5,5]C[5,6a])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Nb<7>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6a]H)(H){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]Nb[3,5,5]C[5,6a])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|C<4>,1|H<2>,1|N<2>,2|N<3>,3|C<3>,3|H<1>}	121.5165	0.718	2	121.5165	0.515	2	122.5450	0.721	20	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,1|N<3>,1|O<2>,2|C<4>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5,5]){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	123.2490	0.000	1	123.2490	0.000	1	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,2|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,2|H<1>,2|O<2>}	122.5210	0.332	8	122.5284	0.089	10	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5,5]){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5,5]){2|H<1>,3|C<3>}	122.5580	0.153	2	122.5284	0.089	10	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,2|C<4>,2|H<1>}	122.3120	0.395	4	122.4359	0.114	8	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,2|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,2|H<1>,2|O<2>}	122.4345	0.193	2	122.4359	0.114	8	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5,6]){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5,6]){2|H<1>,3|C<3>}	122.6850	0.330	2	122.4359	0.114	8	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[3,5,6]C[6a])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[3,5,6]C[6a])(H){1|O<2>,2|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	122.1100	0.000	1	122.1100	0.000	1	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6]C[6a])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6]C[6a])(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,4|H<1>}	122.7010	0.000	1	122.6074	0.161	8	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6]C[6a])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6]C[6a])(H){1|C<3>,1|N<4>,1|O<2>,4|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	121.7390	0.000	1	122.6074	0.161	8	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6]C[6a])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6]C[6a])(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,4|H<1>}	122.7290	0.255	5	122.6074	0.161	8	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6]C[6a])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6]C[6a])(H){1|O<2>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	122.7740	0.000	1	122.6074	0.161	8	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6]C[6a])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6]C[6a])(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5]){1|C<3>,4|H<1>}	123.3210	0.000	1	123.3210	0.000	1	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5a]C[6a])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,4|H<1>}	122.1648	0.356	5	122.5152	0.122	21	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5a]C[6a])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>,1|S<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,4|H<1>}	122.5530	0.000	1	122.5152	0.122	21	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5a]C[6a])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5a]C[6a])(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,4|H<1>}	122.4870	0.119	2	122.5152	0.122	21	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5a]C[6a])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5a]C[6a])(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,4|H<1>}	122.6582	0.266	4	122.5152	0.122	21	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5a]C[6a])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5a]C[6a])(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,4|H<1>}	122.7005	0.307	8	122.5152	0.122	21	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5a]C[6a])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5a]C[6a])(H){1|C<4>,1|N<2>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	122.2320	0.000	1	122.5152	0.122	21	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6,6]C[6a])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6,6]C[6a])(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,4|H<1>}	122.3360	0.163	2	122.3360	0.026	2	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|H<1>,2|C<3>,2|F<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,2|F<1>,2|H<1>}	123.4920	0.000	1	122.2976	0.212	22	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]2)(H){1|Br<1>,1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Br<1>,1|C<3>,3|H<1>}	122.1670	0.000	1	122.2976	0.212	22	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]2)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,4|H<1>}	122.1170	0.000	1	122.2976	0.212	22	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,4|H<1>}	122.4125	0.396	11	122.2976	0.212	22	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	122.2540	0.000	1	122.2976	0.212	22	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	122.0855	0.002	2	122.2976	0.212	22	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	121.9618	0.391	5	122.2976	0.212	22	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5]){1|C<3>,4|H<1>}	123.0570	0.000	1	123.0570	0.000	1	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Br<1>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Br)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	121.8003	0.108	3	121.8658	0.039	5	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Br<1>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Br)(H){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	121.9640	0.320	2	121.8658	0.039	5	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,2|C<4>,2|H<1>}	122.4000	0.136	3	122.2359	0.290	214	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<2>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Cl<1>,1|C<3>,3|H<1>}	121.9820	0.000	1	122.2359	0.290	214	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|H<1>,2|F<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,2|F<1>,2|H<1>}	123.3990	0.000	1	122.2359	0.290	214	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Br<1>,1|C<3>,3|H<1>}	122.6710	0.000	1	122.2359	0.290	214	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|F<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|F<1>,3|H<1>}	122.3450	0.000	1	122.2359	0.290	214	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,4|H<1>}	122.3267	0.382	48	122.2359	0.290	214	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|I<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|I<1>,3|H<1>}	122.1450	0.000	1	122.2359	0.290	214	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	122.3755	0.581	2	122.2359	0.290	214	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	122.1341	0.565	9	122.2359	0.290	214	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	121.6812	0.309	9	122.2359	0.290	214	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	121.9945	0.339	8	122.2359	0.290	214	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|F<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|F<1>,3|H<1>}	122.5260	0.000	1	122.2359	0.290	214	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,4|H<1>}	122.3541	0.506	100	122.2359	0.290	214	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	121.8416	0.425	16	122.2359	0.290	214	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	121.7092	0.086	4	122.2359	0.290	214	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	121.4668	0.548	5	122.2359	0.290	214	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	122.6118	1.537	4	122.2359	0.290	214	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	123.0650	0.000	1	122.7878	0.114	14	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5]){2|C<3>,3|H<1>}	122.7650	0.368	8	122.7878	0.114	14	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5]){1|Br<1>,1|C<3>,3|H<1>}	123.2930	0.000	1	122.7878	0.114	14	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5]){1|C<3>,4|H<1>}	122.6377	0.183	4	122.7878	0.114	14	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[3])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[3])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,4|H<1>}	122.4750	0.000	1	122.2310	0.119	2	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[3])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[3])(H){1|O<2>,2|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	121.9870	0.000	1	122.2310	0.119	2	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	121.7920	0.406	4	122.3538	0.184	51	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,4|H<1>}	122.4809	0.477	7	122.3538	0.184	51	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,4|H<1>}	122.2053	0.327	4	122.3538	0.184	51	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,4|H<1>}	122.4428	0.426	21	122.3538	0.184	51	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	121.4680	0.000	1	122.3538	0.184	51	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,4|H<1>}	122.2795	0.156	2	122.3538	0.184	51	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,4|H<1>}	122.4340	0.000	1	122.3538	0.184	51	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	122.6520	0.000	1	122.3538	0.184	51	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,4|H<1>}	122.4310	0.000	1	122.3538	0.184	51	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,4|H<1>}	122.3620	0.000	1	122.3538	0.184	51	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,4|H<1>}	122.2663	0.357	3	122.3538	0.184	51	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,4|H<1>}	122.1990	0.000	1	122.3538	0.184	51	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|S<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,4|H<1>}	122.2420	0.000	1	122.3538	0.184	51	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,4|H<1>}	122.6050	0.000	1	122.3538	0.184	51	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,4|H<1>}	122.8380	0.000	1	122.3538	0.184	51	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H){1|Se<2>,1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,4|H<1>}	122.8000	0.000	1	122.3538	0.184	51	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5]){2|C<3>,3|H<1>}	123.7410	0.000	1	123.7410	0.000	1	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H){1|Br<1>,1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Br<1>,1|C<3>,3|H<1>}	122.2505	0.025	2	122.3684	0.108	48	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H){1|Br<1>,1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Br<1>,1|C<3>,3|H<1>}	122.3890	0.000	1	122.3684	0.108	48	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,4|H<1>}	123.0570	0.000	1	122.3684	0.108	48	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,4|H<1>}	122.6500	0.000	1	122.3684	0.108	48	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|S<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,4|H<1>}	122.2335	0.110	2	122.3684	0.108	48	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,4|H<1>}	122.3571	0.341	7	122.3684	0.108	48	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,4|H<1>}	122.4836	0.330	5	122.3684	0.108	48	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,4|H<1>}	122.6430	0.000	1	122.3684	0.108	48	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,4|H<1>}	122.3196	0.182	5	122.3684	0.108	48	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,4|H<1>}	122.0624	0.396	7	122.3684	0.108	48	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,4|H<1>}	122.9370	0.000	1	122.3684	0.108	48	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,4|H<1>}	122.3715	0.217	8	122.3684	0.108	48	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H){1|Se<2>,1|C<3>,1|C<4>,1|O<2>,1|P<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,4|H<1>}	122.7060	0.000	1	122.3684	0.108	48	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H){1|Br<1>,1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Br<1>,1|C<3>,3|H<1>}	121.8850	0.000	1	122.3684	0.108	48	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,4|H<1>}	122.6670	0.000	1	122.3684	0.108	48	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,4|H<1>}	122.6035	0.136	2	122.3684	0.108	48	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H){1|Ir<8>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ir<8>,1|C<3>,3|H<1>}	122.0040	0.000	1	122.3684	0.108	48	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H){1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	122.6440	0.000	1	122.3684	0.108	48	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5]){1|C<3>,4|H<1>}	122.8330	0.000	1	122.6750	0.050	2	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5]){1|C<3>,4|H<1>}	122.5170	0.000	1	122.6750	0.050	2	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Cl<1>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)(H){1|C<2>,1|C<3>,1|C<4>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<2>,1|C<3>,3|H<1>}	122.8880	0.000	1	122.8880	0.000	1	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|F<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]F)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	121.9280	0.000	1	121.7565	0.059	2	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|F<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]F)(H){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	121.5850	0.000	1	121.7565	0.059	2	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a]C[6a])(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|H<1>,2|C<3>,2|F<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a]C[6a])(O[5]C[5]){2|F<1>,2|H<1>,3|C<3>}	122.9520	0.000	1	122.9520	0.000	1	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]2)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,1|P<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]2)(O[5]C[5]){1|H<1>,1|P<3>,2|C<4>,3|C<3>}	121.7450	0.000	1	121.6480	1.330	23	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]2)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,1|P<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]2)(O[5]C[5]){1|P<3>,3|C<3>,3|H<1>}	122.0845	0.385	2	121.6480	1.330	23	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]2)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,1|P<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]2)(O[5]C[5]){1|P<4>,3|C<3>,3|H<1>}	121.5995	1.229	20	121.6480	1.330	23	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Al)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Al<4>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Al)(O[5]C[5]){2|C<3>,3|H<1>}	122.8430	0.000	1	122.8430	0.000	1	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	122.1220	0.000	1	121.6882	0.232	9	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	121.5180	0.775	3	121.6882	0.232	9	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,4|H<1>}	121.7657	0.413	3	121.6882	0.232	9	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	121.5570	0.000	1	121.6882	0.232	9	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	121.6640	0.000	1	121.6882	0.232	9	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cu)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Cu<3>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cu)(O[5]C[5]){2|C<3>,3|H<1>}	120.8700	0.000	1	120.8700	0.000	1	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|C<4>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	121.8942	0.152	4	121.8415	0.217	324	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,2|F<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|H<1>,2|F<1>}	122.8260	0.000	1	121.8415	0.217	324	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,2|F<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|H<1>,2|C<3>,2|F<1>}	121.3150	0.000	1	121.8415	0.217	324	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,2|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,2|H<1>,2|O<2>}	122.5375	0.395	6	121.8415	0.217	324	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|N<2>,3|H<1>}	121.6340	0.000	1	121.8415	0.217	324	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	121.9861	0.309	12	121.8415	0.217	324	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,1|P<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|P<4>,3|H<1>}	121.5560	0.000	1	121.8415	0.217	324	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	121.6474	0.553	12	121.8415	0.217	324	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	121.7668	0.324	136	121.8415	0.217	324	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	121.8645	0.556	140	121.8415	0.217	324	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|C<4>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Se<2>,1|C<3>,3|H<1>}	121.9820	0.000	1	121.8415	0.217	324	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|C<4>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Si<4>,1|C<3>,3|H<1>}	122.0304	0.281	5	121.8415	0.217	324	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|H<1>,3|C<3>}	122.3612	0.201	4	121.8415	0.217	324	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Ir)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ir<8>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Ir)(O[5]C[5]){2|C<3>,3|H<1>}	121.7790	0.000	1	121.7790	0.000	1	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5]){1|C<3>,2|C<4>,2|H<1>}	122.3630	0.000	1	122.2660	0.194	4	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	122.2337	0.534	3	122.2660	0.194	4	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]P)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|P<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]P)(O[5]C[5]){2|C<3>,3|H<1>}	122.9380	0.000	1	122.9380	0.000	1	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Sn)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Sn<3>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Sn)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	121.2610	0.000	1	121.4640	0.036	3	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Sn)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Sn<3>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Sn)(O[5]C[5]){2|C<3>,3|H<1>}	121.5655	0.105	2	121.4640	0.036	3	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Zn)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Zn<4>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Zn)(O[5]C[5]){2|C<3>,3|H<1>}	122.5185	0.071	4	122.5185	0.005	4	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]I)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|I<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]I)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	122.0820	0.000	1	122.0820	0.000	1	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Ir)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ir<6>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Ir)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	123.8765	1.819	2	123.5083	2.062	3	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Ir)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ir<8>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Ir)(H){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	122.7720	0.000	1	123.5083	2.062	3	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,4|H<1>}	122.4270	0.000	1	122.4270	0.000	1	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|N<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,4|H<1>}	123.4650	0.000	1	122.4169	0.243	25	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,4|H<1>}	122.7748	0.272	5	122.4169	0.243	25	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	121.6240	0.669	2	122.4169	0.243	25	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N)(H){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	122.3433	0.354	17	122.4169	0.243	25	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N[5])(H){1|Ir<6>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ir<6>,1|C<3>,3|H<1>}	122.9025	1.490	2	122.9025	2.220	2	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N[6])(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,4|H<1>}	122.2148	0.346	5	122.2876	0.118	7	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N[6])(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,4|H<1>}	122.4695	0.371	2	122.2876	0.118	7	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,4|H<1>}	122.6867	0.449	11	122.4584	0.442	25	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	121.9307	0.446	10	122.4584	0.442	25	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	123.1497	0.716	4	122.4584	0.442	25	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]P)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|P<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]P)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,4|H<1>}	123.4160	0.000	1	123.4160	0.000	1	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]S)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|S<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|O<2>,1|S<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|S<2>,3|H<1>}	122.1275	0.153	4	122.1275	0.023	4	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Se)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Se<2>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Se)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,4|H<1>}	121.8320	0.000	1	121.8320	0.000	1	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Si)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Si<4>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Si)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,4|H<1>}	122.0740	0.388	3	122.0740	0.150	3	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Si[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Si<4>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Si[6])(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,4|H<1>}	122.3940	0.122	2	122.3940	0.015	2	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]Ga[3x5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]Ga[3x5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]Ga[3x5]){1|C<3>,2|C<4>,4|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){1|Ga<6>,1|C<3>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]Ga[3x5]){1|C<3>,2|H<1>,4|O<2>}	120.0512	0.282	6	120.0512	0.080	6	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]Ge[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]Ge[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]Ge[5]){2|Cl<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){1|Ge<5>,1|C<3>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]Ge[5]){2|Cl<1>,2|C<3>,2|H<1>}	120.4330	0.000	1	120.4330	0.000	1	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]Nb[3x5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]Nb[3x5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]Nb[3x5]){1|C<3>,1|N<3>,2|H<1>,4|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Nb<7>,1|C<3>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]Nb[3x5]){1|C<3>,1|N<3>,2|H<1>,4|O<2>}	120.6252	0.710	6	120.6252	0.503	6	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]P[3x5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]P[3x5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]P[3x5]){1|C<3>,2|H<1>,4|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,1|P<6>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]P[3x5]){1|C<3>,2|H<1>,4|O<2>}	121.2955	0.372	30	121.2955	0.139	30	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]P[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]P[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]P[5,6]){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,1|P<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]P[5,6]){1|C<3>,2|H<1>,2|N<2>}	122.2925	0.433	2	122.2925	0.188	2	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]P[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]P[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]P[5]){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,1|P<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]P[5]){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	122.1455	0.172	2	122.0497	0.054	6	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]P[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]P[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]P[5]){1|C<3>,2|H<1>,2|S<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,1|P<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]P[5]){1|C<3>,2|H<1>,2|S<1>}	121.7985	0.185	2	122.0497	0.054	6	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]P[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]P[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]P[5]){1|Mo<6>,1|C<3>,1|F<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,1|P<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]P[5]){1|Mo<6>,1|C<3>,1|F<1>,2|H<1>}	122.2050	0.122	2	122.0497	0.054	6	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]Si[3x5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]Si[3x5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]Si[3x5]){1|C<3>,2|H<1>,4|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Si<6>,1|C<3>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]Si[3x5]){1|C<3>,2|H<1>,4|O<2>}	120.6587	0.603	6	120.6587	0.364	6	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]Si[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]Si[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]Si[5]){1|Ni<5>,1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]Si[5]){1|Ni<5>,1|C<3>,1|N<3>,2|H<1>}	121.0055	1.132	2	121.0055	1.282	2	122.0633	0.415	921	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-2:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(P[5]C[5])	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){1|H<1>,1|P<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(P[5]C[5]){2|C<3>,2|H<1>}	124.9870	0.098	2	124.9870	0.010	2	124.9870	0.010	2	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(S[5]C[5]){2|C<3>,2|H<1>}	122.9270	0.000	1	122.9270	0.000	1	122.9270	0.000	1	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6,6a]H)(H)	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6,6a]H)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	121.6820	0.330	5	121.6963	0.085	14	121.8052	0.257	15	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6,6a]H)(H)	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6,6a]H)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|C<3>,1|C<4>,1|N<4>,5|H<1>}	121.4210	0.000	1	121.6963	0.085	14	121.8052	0.257	15	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6,6a]H)(H)	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6,6a]H)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	121.1140	0.000	1	121.6963	0.085	14	121.8052	0.257	15	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6,6a]H)(H)	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6,6a]H)(H){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	121.9205	0.053	2	121.6963	0.085	14	121.8052	0.257	15	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6,6a]H)(H)	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6,6a]H)(H){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	121.7465	0.254	2	121.6963	0.085	14	121.8052	0.257	15	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6,6a]H)(H)	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6,6a]H)(H){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|N<3>,2|C<3>,5|H<1>}	121.8230	0.131	3	121.6963	0.085	14	121.8052	0.257	15	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6,6a]H)(H)	C[5,6a](C[6,6a]C[6,6a]N[6])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6,6a]H)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[6,6a]C[6,6a]N[6])(C[5,6a]C[6a]O[5])(O[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	123.3300	0.000	1	123.3300	0.000	1	121.8052	0.257	15	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]C)(H)	C[5,6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]O[5])(O[5]C[5])	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]C)(H){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]O[5])(O[5]C[5]){3|H<1>,4|C<3>}	122.9940	0.000	1	122.9940	0.000	1	123.3050	0.193	2	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6,6a])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(H){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6,6a])(C[5,6a]C[6a]O[5])(O[5]C[5]){3|H<1>,4|C<3>}	123.6160	0.000	1	123.6160	0.000	1	123.3050	0.193	2	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	123.0897	0.085	3	123.5536	0.159	16	123.4472	0.126	38	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|N<3>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	123.8885	0.172	2	123.5536	0.159	16	123.4472	0.126	38	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|S<3>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	123.7091	0.303	7	123.5536	0.159	16	123.4472	0.126	38	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|S<4>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	123.8950	0.000	1	123.5536	0.159	16	123.4472	0.126	38	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	123.5775	0.244	2	123.5536	0.159	16	123.4472	0.126	38	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	122.7970	0.000	1	123.5536	0.159	16	123.4472	0.126	38	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	123.6710	0.000	1	123.6710	0.000	1	123.4472	0.126	38	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	123.6785	0.033	2	123.6785	0.001	2	123.4472	0.126	38	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){1|C<3>,1|N<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|O<2>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){1|C<3>,1|S<2>,3|H<1>}	123.0890	0.035	2	123.3980	0.136	4	123.4472	0.126	38	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){1|C<3>,1|N<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	123.5970	0.000	1	123.3980	0.136	4	123.4472	0.126	38	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|O<2>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	123.8170	0.000	1	123.3980	0.136	4	123.4472	0.126	38	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){1|C<3>,1|N<2>,3|H<1>}	123.8180	0.000	1	123.3464	0.084	13	123.4472	0.126	38	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	123.3071	0.264	12	123.3464	0.084	13	123.4472	0.126	38	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){1|C<3>,1|S<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){1|C<3>,1|N<2>,3|H<1>}	123.0065	0.090	2	123.0065	0.008	2	123.4472	0.126	38	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6,6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6,6a]H)(O[5]C[5])	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	122.5550	0.291	2	122.6790	0.089	3	122.6520	0.062	4	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6,6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6,6a]H)(O[5]C[5])	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	122.9270	0.000	1	122.6790	0.089	3	122.6520	0.062	4	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6,6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6,6a]H)(O[5]C[5])	C[6a](C[6,6,6a]C[6,6,6a]C[4x6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[4x6])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	122.5710	0.000	1	122.5710	0.000	1	122.6520	0.062	4	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[6,6a]C[5,4x6]C[6,6a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[6,6a]C[5,4x6]C[6,6a])(C[5,6a]C[5,6a]O[5])(H){1|O<2>,2|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	122.3110	0.000	1	122.3110	0.000	1	122.3223	0.406	76	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[5,6a]C[5,6a]O[5])(H){1|N<3>,1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	121.9280	0.000	1	121.9280	0.000	1	122.3223	0.406	76	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|O<2>,5|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	122.6210	0.000	1	122.2542	0.081	10	122.3223	0.406	76	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	122.0720	0.000	1	122.2542	0.081	10	122.3223	0.406	76	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[5,6a]C[5,6a]O[5])(H){1|O<2>,2|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	122.2180	0.303	7	122.2542	0.081	10	122.3223	0.406	76	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[5,6a]C[5,6a]O[5])(H){1|O<2>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	122.3230	0.000	1	122.2542	0.081	10	122.3223	0.406	76	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[6,6a]C[5a,6]C[6,6a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[6,6a]C[5a,6]C[6,6a])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|N<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	121.8790	0.000	1	121.8790	0.000	1	122.3223	0.406	76	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[6,6a]C[6,6a]C[3,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[3,6])(C[5,6a]C[5,6a]O[5])(H){2|C<3>,2|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	122.5010	0.000	1	122.5010	0.000	1	122.3223	0.406	76	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	121.9740	0.000	1	122.1842	0.148	13	122.3223	0.406	76	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	121.8770	0.000	1	122.1842	0.148	13	122.3223	0.406	76	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	122.5100	0.000	1	122.1842	0.148	13	122.3223	0.406	76	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,1|O<2>,1|S<4>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|S<4>,3|H<1>}	122.3870	0.000	1	122.1842	0.148	13	122.3223	0.406	76	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	121.7623	0.218	3	122.1842	0.148	13	122.3223	0.406	76	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	122.0485	0.152	2	122.1842	0.148	13	122.3223	0.406	76	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H){1|O<2>,1|S<4>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|S<4>,3|H<1>}	122.7790	0.052	2	122.1842	0.148	13	122.3223	0.406	76	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H){1|O<2>,2|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	122.2320	0.000	1	122.1842	0.148	13	122.3223	0.406	76	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H){1|O<2>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	122.4730	0.000	1	122.1842	0.148	13	122.3223	0.406	76	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]O)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	124.8340	0.000	1	124.8340	0.000	1	122.3223	0.406	76	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,2|H<1>}	121.4400	0.000	1	122.1980	0.303	43	122.3223	0.406	76	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	121.9316	0.368	8	122.1980	0.303	43	122.3223	0.406	76	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|H<1>,1|N<4>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	122.7625	0.349	2	122.1980	0.303	43	122.3223	0.406	76	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	122.0930	0.000	1	122.1980	0.303	43	122.3223	0.406	76	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	121.8590	0.000	1	122.1980	0.303	43	122.3223	0.406	76	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	121.7850	0.000	1	122.1980	0.303	43	122.3223	0.406	76	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|N<4>,2|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	122.2770	0.000	1	122.1980	0.303	43	122.3223	0.406	76	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	121.7480	0.000	1	122.1980	0.303	43	122.3223	0.406	76	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	121.7070	0.037	2	122.1980	0.303	43	122.3223	0.406	76	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	122.7155	0.297	4	122.1980	0.303	43	122.3223	0.406	76	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	121.6320	0.218	4	122.1980	0.303	43	122.3223	0.406	76	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H){1|N<3>,1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	122.0230	0.000	1	122.1980	0.303	43	122.3223	0.406	76	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H){1|O<2>,2|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	121.8600	0.000	1	122.1980	0.303	43	122.3223	0.406	76	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H){2|C<3>,2|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	122.8510	0.284	2	122.1980	0.303	43	122.3223	0.406	76	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	122.2989	0.386	10	122.1980	0.303	43	122.3223	0.406	76	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H){1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	122.9857	0.936	3	122.1980	0.303	43	122.3223	0.406	76	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]O)(O[5]C[5]){2|C<3>,3|H<1>}	123.0460	0.000	1	123.5180	0.101	5	122.3223	0.406	76	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H){1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]O)(O[5]C[5]){2|C<3>,3|H<1>}	123.6360	0.203	4	123.5180	0.101	5	122.3223	0.406	76	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6,6a]-3:C[5,6a]-3:H-1:	C[6,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[6,6a]C[6,6,6a]C[6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[6,6a]C[6,6,6a]C[6,6a])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6a](C[6,6a]C[6,6,6a]C[6,6a])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|C<4>,3|C<3>,3|H<1>}	122.1000	0.768	3	122.1478	0.402	4	122.1478	0.402	4	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6,6a]-3:C[5,6a]-3:H-1:	C[6,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[6,6a]C[6,6,6a]C[6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[6,6a]C[6,6,6a]C[6,6a])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[6,6a]C[6,6,6a]C[6,6a])(C[5,6a]C[6a]O[5])(O[5]C[5]){3|H<1>,4|C<3>}	122.2910	0.000	1	122.1478	0.402	4	122.1478	0.402	4	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6,6a]-3:C[5,6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[6a,6a]C[6,6a,6a]C[6a,6a])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[5,6a]C[5,6a]O[5])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[6a,6a]C[6,6a,6a]C[6a,6a])(C[5,6a]C[6a]O[5])(O[5]C[5]){3|H<1>,4|C<3>}	122.6780	0.365	2	123.1043	0.386	6	123.1043	0.386	6	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6,6a]-3:C[5,6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[6a,6a]C[6,6a,6a]C[6a,6a])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[6a,6a]C[6,6a,6a]C[6a,6a])(C[5,6a]C[6a]O[5])(O[5]C[5]){3|H<1>,4|C<3>}	123.3175	0.645	4	123.1043	0.386	6	123.1043	0.386	6	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5,5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5,5]){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5,5]){1|H<1>,4|C<3>}	122.9760	0.259	2	122.9760	0.067	2	122.5737	0.401	58	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5,6])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5,6]){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5,6]){1|H<1>,2|C<3>,2|C<4>}	122.7472	0.369	4	122.7472	0.136	4	122.5737	0.401	58	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5])	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	123.0522	0.338	15	123.0522	0.114	15	122.5737	0.401	58	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]C)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]C)(O[5]C[5]){2|C<3>,3|H<1>}	122.5920	0.139	2	122.5920	0.019	2	122.5737	0.401	58	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5]){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5]){1|H<1>,2|C<3>,2|C<4>}	122.9125	0.467	2	122.1968	0.352	30	122.5737	0.401	58	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	121.5360	0.000	1	122.1968	0.352	30	122.5737	0.401	58	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	122.0448	0.506	20	122.1968	0.352	30	122.5737	0.401	58	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|N<2>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	123.5680	0.000	1	122.1968	0.352	30	122.5737	0.401	58	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	122.0990	0.000	1	122.1968	0.352	30	122.5737	0.401	58	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	122.2185	0.312	2	122.1968	0.352	30	122.5737	0.401	58	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	121.7380	0.000	1	122.1968	0.352	30	122.5737	0.401	58	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	122.8070	0.000	1	122.1968	0.352	30	122.5737	0.401	58	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(H){1|N<2>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	122.9970	0.000	1	122.1968	0.352	30	122.5737	0.401	58	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	122.8580	0.000	1	122.8580	0.000	1	122.5737	0.401	58	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5]){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]O[5])(H){1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]O)(O[5]C[5]){2|C<3>,3|H<1>}	123.4770	0.000	1	123.4770	0.000	1	122.5737	0.401	58	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5])	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	122.7390	0.000	1	122.7390	0.000	1	122.5737	0.401	58	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5])	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5]){1|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]O)(O[5]C[5]){2|C<3>,3|H<1>}	123.1930	0.854	2	123.1930	0.730	2	122.5737	0.401	58	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[6,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5])	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5]){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[5,6a]C[6a]O[5])(O[5]C[5]){3|H<1>,4|C<3>}	123.6640	0.000	1	123.5140	0.045	2	123.5140	0.045	2	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[6,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5])	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5]){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>}	C[5,6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[5,6a]C[6a]O[5])(O[5]C[5]){3|H<1>,4|C<3>}	123.3640	0.000	1	123.5140	0.045	2	123.5140	0.045	2	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5,5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5,5]){2|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(O[5]C[5,5]){1|H<1>,2|O<2>,4|C<3>}	122.8774	0.461	10	122.8774	0.213	10	122.8774	0.213	10	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:P[5]-2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(P[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[5,6a]P[5])(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(P[5]C[5]){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[5,6a]P[5])(H){1|O<2>,1|P<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|H<1>,1|P<2>}	119.0460	0.000	1	119.0460	0.000	1	119.0460	0.000	1	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:P[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-2:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(P[5]As[5])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(P[5]As[5])	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(P[5]As[5]){1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|As<2>,1|C<3>,1|H<1>,1|P<2>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(P[5]As[5]){1|C<3>,2|H<1>}	118.0460	0.181	2	118.0460	0.033	2	118.3267	0.098	6	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:P[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-2:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(P[5]P[5])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(P[5]P[5])	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(P[5]P[5]){1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|P<2>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(P[5]P[5]){1|C<3>,2|H<1>}	118.4670	0.270	4	118.4670	0.073	4	118.3267	0.098	6	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:P[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]H)(P[5]C[5])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]P[5])(O[5]C[5])	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]H)(P[5]C[5]){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a,6a]H)(H){1|O<2>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]P[5])(O[5]C[5]){2|H<1>,4|C<3>}	118.8300	0.000	1	118.8300	0.000	1	118.8300	0.000	1	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[5,6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]Cl)(S[5]S[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[5,6a]C[5,6a]S[5])(Cl)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]Cl)(N[5]S[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]Cl)(S[5]S[5]){1|Cl<1>,1|C<3>,1|N<2>}	C[6a](C[5,6a]C[5,6a]N[5])(C[5,6a]C[5,6a]S[5])(Cl){1|C<3>,1|N<2>,3|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]Cl)(N[5]S[5]){1|Cl<1>,1|C<3>,1|S<2>}	122.2145	0.121	2	122.2145	0.015	2	121.9158	0.597	4	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[5,6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]Cl)(S[5]Se[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[5,6a]C[5,6a]S[5])(Cl)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]Cl)(N[5]Se[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]Cl)(S[5]Se[5]){1|Cl<1>,1|C<3>,1|N<2>}	C[6a](C[5,6a]C[5,6a]N[5])(C[5,6a]C[5,6a]S[5])(Cl){2|Se<2>,1|C<3>,1|N<2>,1|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]Cl)(N[5]Se[5]){1|Cl<1>,1|C<3>,1|S<2>}	121.6170	1.191	2	121.6170	1.418	2	121.9158	0.597	4	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[5,6a]-3:Cl-1:	C[5,6a]-3:N[6a]-3:N[5]-2:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5,6a]Cl)(S[5]S[5])	C[6a](C[5,6a]C[5,6a]S[5])2(Cl)	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5,6a]C)(N[5]S[5])	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5,6a]Cl)(S[5]S[5]){1|C<3>,1|C<4>,1|S<2>}	C[6a](C[5,6a]C[5,6a]S[5])2(Cl){1|N<3>,2|N<2>,2|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5,6a]C)(N[5]S[5]){1|Cl<1>,1|C<3>,1|N<2>}	120.6128	0.482	6	120.6128	0.232	6	120.6128	0.232	6	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[5,6a]-3:F-1:	C[5,6a]-3:N[6a]-3:N[5]-2:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5,6a]F)(S[5]S[5])	C[6a](C[5,6a]C[5,6a]S[5])2(F)	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5,6a]C)(N[5]S[5])	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5,6a]F)(S[5]S[5]){1|C<3>,1|C<4>,1|S<2>}	C[6a](C[5,6a]C[5,6a]S[5])2(F){1|N<3>,2|N<2>,2|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5,6a]C)(N[5]S[5]){1|C<3>,1|F<1>,1|N<2>}	119.6012	0.504	14	119.6012	0.254	14	119.6012	0.254	14	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]S[5])(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]H)(S[5]C[5]){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]S[5])(H){1|N<3>,1|O<1>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]H)(S[5]C[5]){1|H<1>,3|C<3>}	121.1362	0.170	6	121.1362	0.029	6	120.8102	0.118	14	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])2(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]H)(S[5]C[5]){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	C[6a](C[5,6a]C[5,6a]S[5])2(H){1|C<3>,2|C<4>,2|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]H)(S[5]C[5]){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	120.5658	0.197	8	120.5658	0.039	8	120.8102	0.118	14	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:N[6a]-3:N[5]-2:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5,6a]H)(S[5]S[5])	C[6a](C[5,6a]C[5,6a]S[5])2(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5,6a]C)(N[5]S[5])	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5,6a]H)(S[5]S[5]){1|C<3>,1|C<4>,1|S<2>}	C[6a](C[5,6a]C[5,6a]S[5])2(H){1|N<3>,2|N<2>,2|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5,6a]C)(N[5]S[5]){1|C<3>,1|H<1>,1|N<2>}	121.3845	0.365	4	121.3845	0.133	4	121.3845	0.133	4	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[5,6a]-3:I-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]I)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])2(I)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]C)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]I)(S[5]C[5]){1|C<3>,1|S<2>,3|C<4>}	C[6a](C[5,6a]C[5,6a]S[5])2(I){1|C<3>,2|C<4>,2|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]C)(S[5]C[5]){1|C<3>,1|I<1>,1|S<2>,2|C<4>}	119.5568	1.161	6	119.5568	1.347	6	119.6641	0.781	10	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[5,6a]-3:I-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]I)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])2(I)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]I)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]I)(S[5]C[5]){1|C<3>,1|I<1>,1|S<2>,2|C<4>}	C[6a](C[5,6a]C[5,6a]S[5])2(I){1|C<3>,2|C<4>,2|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]I)(S[5]C[5]){1|C<3>,1|I<1>,1|S<2>,2|C<4>}	119.8250	0.201	4	119.8250	0.040	4	119.6641	0.781	10	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6,6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6,6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6,6a]H)(S[5]C[5]){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6,6a]C[6,6a]C[6])(H){1|O<1>,1|S<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6,6a]H)(S[5]C[5]){1|H<1>,3|C<3>}	121.3780	0.168	2	121.3780	0.028	2	121.3780	0.028	2	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:N[6a]-3:N[5]-2:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6,6a]H)(S[5]S[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6,6a]C[6,6a]S[6])(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[6,6a]C)(N[5]S[5])	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6,6a]H)(S[5]S[5]){1|C<3>,1|C<4>,1|S<2>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6,6a]C[6,6a]S[6])(H){1|C<3>,1|N<3>,1|S<2>,2|N<2>}	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[6,6a]C)(N[5]S[5]){1|C<3>,1|H<1>,1|N<2>}	120.5180	0.124	2	120.5740	0.009	4	120.5740	0.009	4	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:N[6a]-3:N[5]-2:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6,6a]H)(S[5]S[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6,6a]C[6,6a]S[6])(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[6,6a]C)(N[5]S[5])	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6,6a]H)(S[5]S[5]){1|C<3>,1|C<4>,1|S<2>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6,6a]C[6,6a]S[6])(H){1|N<3>,1|S<2>,3|N<2>}	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[6,6a]C)(N[5]S[5]){1|C<3>,1|H<1>,1|N<2>}	120.6300	0.000	2	120.5740	0.009	4	120.5740	0.009	4	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]F)(S[5]S[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(F)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]F)(N[5]S[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]F)(S[5]S[5]){1|C<3>,1|F<1>,1|H<1>,1|N<2>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(F){1|C<3>,1|F<1>,1|N<2>,1|S<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]F)(N[5]S[5]){1|C<3>,1|N<2>,2|F<1>}	118.8450	0.000	1	118.8450	0.000	1	118.8450	0.000	1	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]F)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]F)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]F)(S[5]C[5]){1|B<4>,1|C<3>,2|F<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]F)(F){1|F<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]F)(S[5]C[5]){1|B<4>,1|C<3>,2|F<1>}	119.9502	0.250	4	119.9502	0.063	4	119.9502	0.063	4	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:N[6a]-3:N[5]-2:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]F)(S[5]S[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]S)(F)	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[6a]C)(N[5]S[5])	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]F)(S[5]S[5]){1|C<3>,1|C<4>,1|S<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]S)(F){1|N<3>,1|S<2>,2|N<2>}	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[6a]C)(N[5]S[5]){1|C<3>,1|F<1>,1|N<2>}	119.6397	0.271	3	119.6397	0.074	3	119.6397	0.074	3	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]){2|H<1>,3|C<3>}	119.5030	0.000	1	119.5030	0.000	1	120.5274	0.282	11	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]S[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]S[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]S[5]){1|C<3>,1|F<1>,1|H<1>,1|N<2>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]F)(H){1|C<3>,1|F<1>,1|N<2>,1|S<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]S[5]){1|C<3>,1|F<1>,1|H<1>,1|N<2>}	120.5750	0.000	1	120.5750	0.000	1	120.5274	0.282	11	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]S[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]S[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]S[5]){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|S<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]S[5]){1|C<3>,1|N<2>,2|H<1>}	120.7210	0.000	1	120.5856	0.212	8	120.5274	0.282	11	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]S[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]S[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]S[5]){1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]S[5]){1|C<3>,2|H<1>}	120.5663	0.494	7	120.5856	0.212	8	120.5274	0.282	11	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]Se[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]Se[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]Se[5]){1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|H<1>,1|N<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]Se[5]){1|C<3>,2|H<1>}	121.0380	0.000	1	121.0380	0.000	1	120.5274	0.282	11	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(S[5]C[5,6])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]C)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(S[5]C[5,6]){2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]C)(O[5]C[5,6]){2|H<1>,3|C<3>}	120.4095	0.329	2	120.4095	0.108	2	120.1480	0.259	3	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(S[5]C[5]){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,2|H<1>}	119.6250	0.000	1	119.6250	0.000	1	120.1480	0.259	3	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5,5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5,5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5,5]){1|C<3>,2|H<1>,2|S<2>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5,5]){1|C<3>,2|H<1>,2|S<2>}	120.3505	0.301	2	120.3294	0.030	5	120.3153	0.307	151	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5,5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5,5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5,5]){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5,5]){2|H<1>,3|C<3>}	120.3153	0.122	3	120.3294	0.030	5	120.3153	0.307	151	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<2>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H){1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5]){2|C<3>,2|H<1>}	119.8995	0.279	2	120.1465	0.127	4	120.3153	0.307	151	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H){1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5]){2|C<3>,2|H<1>}	120.3935	0.240	2	120.1465	0.127	4	120.3153	0.307	151	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]C)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<2>,1|C<3>,1|H<1>,1|S<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]C)(S[5]C[5]){1|C<3>,1|S<1>,2|H<1>}	121.2390	0.065	2	120.6563	0.239	7	120.3153	0.307	151	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]C)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<2>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]C)(S[5]C[5]){2|C<3>,2|H<1>}	120.4232	0.347	5	120.6563	0.239	7	120.3153	0.307	151	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	120.2240	0.335	4	120.2916	0.255	68	120.3153	0.307	151	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5]){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<2>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<2>,1|H<1>,2|C<3>}	120.9910	0.448	2	120.2916	0.255	68	120.3153	0.307	151	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5]){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<4>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<4>,1|H<1>,2|C<3>}	119.8335	0.377	2	120.2916	0.255	68	120.3153	0.307	151	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5]){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5]){2|C<3>,2|H<1>}	120.2881	0.503	60	120.2916	0.255	68	120.3153	0.307	151	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]N)(H){1|N<3>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	120.2225	0.111	2	120.4314	0.335	18	120.3153	0.307	151	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5]){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]N)(H){1|N<3>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5]){1|H<1>,1|N<3>,2|C<3>}	120.4575	0.610	16	120.4314	0.335	18	120.3153	0.307	151	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5]){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]O)(H){1|O<2>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5]){1|H<1>,1|O<2>,2|C<3>}	120.1653	0.285	3	120.1653	0.082	3	120.3153	0.307	151	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]N[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]N[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]N[5]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]N[5]){1|C<3>,2|H<1>}	120.7050	0.000	1	120.7050	0.000	1	120.3153	0.307	151	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]N[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]C)(S[5]N[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]N[5]){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]C)(S[5]N[5]){1|C<3>,2|H<1>}	121.5330	0.098	2	121.5330	0.010	2	120.3153	0.307	151	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]N[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]N[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]N[5]){1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,1|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]N[5]){1|C<3>,1|C<4>,1|H<1>}	119.5760	0.000	1	120.5855	0.126	13	120.3153	0.307	151	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]N[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]N[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]N[5]){1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]N[5]){1|C<3>,2|H<1>}	120.6697	0.194	12	120.5855	0.126	13	120.3153	0.307	151	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]N[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]N[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]N[5]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]O)(H){1|C<3>,1|N<2>,1|O<2>,1|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]N[5]){1|C<3>,1|H<1>,1|O<2>}	120.7045	0.138	2	120.7045	0.019	2	120.3153	0.307	151	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5]){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|P<3>,1|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5]){1|Br<1>,1|C<3>,2|H<1>}	120.0980	0.000	1	120.1016	0.227	5	120.3153	0.307	151	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5]){1|C<3>,1|C<4>,1|H<1>,1|I<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|P<3>,1|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5]){1|C<3>,1|I<1>,2|H<1>}	119.9750	0.000	1	120.1016	0.227	5	120.3153	0.307	151	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5]){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|P<3>,1|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5]){1|C<3>,1|N<3>,2|H<1>}	120.4410	0.000	1	120.1016	0.227	5	120.3153	0.307	151	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|P<2>,1|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5]){1|C<3>,2|H<1>}	119.3820	0.000	1	120.1016	0.227	5	120.3153	0.307	151	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5]){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|P<3>,1|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5]){1|Cl<1>,1|C<3>,2|H<1>}	120.6120	0.000	1	120.1016	0.227	5	120.3153	0.307	151	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5]){1|Br<1>,1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|P<3>,1|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5]){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	119.5390	0.000	1	119.8693	0.564	17	120.3153	0.307	151	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5]){1|Br<1>,1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<3>,1|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5]){1|Br<1>,1|C<3>,2|H<1>}	119.8992	0.874	4	119.8693	0.564	17	120.3153	0.307	151	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5]){1|C<3>,1|I<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|P<3>,1|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5]){1|C<3>,1|C<4>,1|H<1>,1|I<1>}	119.5260	0.000	1	119.8693	0.564	17	120.3153	0.307	151	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5]){1|C<3>,1|I<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<3>,1|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5]){1|C<3>,1|I<1>,2|H<1>}	120.1160	0.410	4	119.8693	0.564	17	120.3153	0.307	151	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5]){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|P<3>,1|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5]){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	117.7710	0.000	1	119.8693	0.564	17	120.3153	0.307	151	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5]){1|C<3>,1|P<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<3>,1|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5]){1|C<3>,1|P<3>,2|H<1>}	119.9135	0.105	2	119.8693	0.564	17	120.3153	0.307	151	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5]){1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|P<2>,1|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5]){1|C<3>,1|C<4>,1|H<1>}	120.9100	0.000	1	119.8693	0.564	17	120.3153	0.307	151	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5]){1|Cl<1>,1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|P<3>,1|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5]){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	119.7410	0.000	1	119.8693	0.564	17	120.3153	0.307	151	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5]){1|Cl<1>,1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<3>,1|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5]){1|Cl<1>,1|C<3>,2|H<1>}	120.2015	0.097	2	119.8693	0.564	17	120.3153	0.307	151	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5]){1|C<3>,1|H<1>,1|O<2>,1|P<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,1|P<3>,1|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5]){1|C<3>,1|H<1>,1|O<2>,1|P<3>}	120.1480	0.615	2	120.2698	0.096	6	120.3153	0.307	151	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5]){1|C<3>,1|H<1>,1|O<2>,1|S<2>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,1|P<3>,1|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5]){1|C<3>,1|H<1>,1|O<2>,1|S<2>}	120.3307	0.138	4	120.2698	0.096	6	120.3153	0.307	151	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[5a,6a]N[5])(C[6a]C[6a]H)(S[5]S[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[5a,6a]C)(H)	C[5,6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[6a]S[5])(N[5]S[5])	C[5,6a](C[5,6a]C[5a,6a]N[5])(C[6a]C[6a]H)(S[5]S[5]){1|C<3>,1|C<4>,1|S<2>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[5a,6a]C)(H){1|C<3>,1|S<2>,2|N<2>}	C[5,6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[6a]S[5])(N[5]S[5]){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	122.4380	0.000	1	122.4380	0.000	1	122.4380	0.000	1	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a,6a]S[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5])(S[5]C[5])	C[5,6a](C[5,6a]C[6a,6a]S[5])(C[6a]C[6a]H)(S[5]C[5]){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a,6a]H)(H){1|S<2>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5])(S[5]C[5]){2|H<1>,4|C<3>}	120.8310	0.000	1	120.8310	0.000	1	120.8310	0.000	1	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:N[5]-3:N[6a]-2:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(N[6a]C[6a]2)(O)	C[5,6a](C[5,6a]C[6a]S[5])(N[5]C[6a]C[5])(N[6a]C[6a])	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(S[5]C[5]){1|S<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(N[6a]C[6a]2)(O){1|N<2>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5]C[6a]C[5])(N[6a]C[6a]){1|N<3>,1|O<1>,1|O<2>,1|S<1>,2|C<3>}	119.8450	0.000	1	120.3063	0.165	3	120.3063	0.165	3	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:N[5]-3:N[6a]-2:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(N[6a]C[6a]2)(O)	C[5,6a](C[5,6a]C[6a]S[5])(N[5]C[6a]C[5])(N[6a]C[6a])	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(S[5]C[5]){1|S<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(N[6a]C[6a]2)(O){1|N<2>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5]C[6a]C[5])(N[6a]C[6a]){1|O<1>,1|S<1>,2|C<3>,2|N<3>}	120.5370	0.099	2	120.3063	0.165	3	120.3063	0.165	3	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5a,6a]-3:C[5,6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]Cl)(S[5]S[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]S[5])(Cl)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5a,6a]Cl)(N[5]S[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]Cl)(S[5]S[5]){1|Cl<1>,1|C<3>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]S[5])(Cl){1|C<3>,1|N<2>,3|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5a,6a]Cl)(N[5]S[5]){1|Cl<1>,1|C<3>,1|S<2>}	120.2340	0.000	1	120.2340	0.000	1	120.2340	0.000	1	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5a,6a]H)(S[5]N[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]S[5])(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5a,6a]H)(S[5]N[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5a,6a]H)(S[5]N[5]){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]S[5])(H){1|C<3>,2|N<2>,2|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5a,6a]H)(S[5]N[5]){1|C<3>,1|H<1>,1|N<2>}	122.0834	0.314	8	122.0834	0.099	8	121.9416	0.256	12	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5a,6a]H)(S[5]N[5])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]S[5])(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5a,6a]H)(S[5]N[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5a,6a]H)(S[5]N[5]){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]S[5])(H){1|C<3>,2|N<2>,2|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5a,6a]H)(S[5]N[5]){1|C<3>,1|H<1>,1|S<2>}	121.6580	0.739	4	121.6580	0.546	4	121.9416	0.256	12	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a,6a]H)(S[5]C[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]S[5])(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a,6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a,6a]H)(S[5]C[5]){1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]S[5])(H){1|H<1>,1|S<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a,6a]H)(S[5]C[5]){1|H<1>,3|C<3>}	120.8648	1.187	4	120.8648	1.408	4	120.7503	0.367	20	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a,6a]H)(S[5]C[5])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]S[5])(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a,6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a,6a]H)(S[5]C[5]){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]S[5])(H){1|N<2>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a,6a]H)(S[5]C[5]){1|H<1>,1|N<2>,2|C<3>}	120.6697	0.344	14	120.7217	0.178	16	120.7503	0.367	20	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a,6a]H)(S[5]C[5])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]S[5])(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a,6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a,6a]H)(S[5]C[5]){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]S[5])(H){1|N<3>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a,6a]H)(S[5]C[5]){1|H<1>,1|N<3>,2|C<3>}	120.4400	0.000	1	120.7217	0.178	16	120.7503	0.367	20	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a,6a]H)(S[5]C[5])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]S[5])(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a,6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a,6a]H)(S[5]C[5]){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]S[5])(H){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a,6a]H)(S[5]C[5]){1|H<1>,1|N<2>,2|C<3>}	121.7310	0.000	1	120.7217	0.178	16	120.7503	0.367	20	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]F)(Se[5]S[5])	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(F)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]F)(N[5]S[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]F)(Se[5]S[5]){1|C<3>,1|F<1>,1|H<1>,1|N<2>}	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(F){1|C<3>,1|F<1>,1|N<2>,1|S<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]F)(N[5]S[5]){1|C<3>,1|N<2>,2|F<1>}	118.5580	0.000	1	118.5580	0.000	1	118.5580	0.000	1	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5])	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5]){1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|S<2>,2|H<1>}	121.1100	0.579	3	121.1690	0.237	4	120.3108	1.019	9	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5])	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5]){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5]){2|C<3>,2|H<1>}	121.3460	0.000	1	121.1690	0.237	4	120.3108	1.019	9	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]N[5])	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]N[5]){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]N[5]){2|C<3>,2|H<1>}	119.3323	0.381	4	119.3323	0.145	4	120.3108	1.019	9	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]Se[5])	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]Se[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]Se[5]){1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|H<1>,1|N<2>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]Se[5]){1|C<3>,2|H<1>}	120.7920	0.000	1	120.7920	0.000	1	120.3108	1.019	9	121.7909	1.286	1984	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:I[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(I[5]C[5,6a])	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]I[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(I[5]C[5,6a]){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]I[5])(C[6a]C[6a]H){3|C<3>,3|H<1>}	124.2500	0.543	9	124.2500	0.295	9	124.2500	0.295	9	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(N[5]O[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(N[5]O[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(N[5]O[5]){1|Br<1>,1|C<3>,1|H<1>,1|O<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(N[5]O[5]O){1|Br<1>,1|C<3>,1|H<1>}	118.9455	0.321	4	118.9455	0.103	4	118.6187	1.002	7	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(N[5]S[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]2)(N[5]S[5]Pd)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(N[5]S[5]){1|Pd<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]2)(N[5]S[5]Pd){1|Br<1>,1|H<1>,3|C<3>}	119.0650	0.197	2	119.0650	0.039	2	118.6187	1.002	7	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(N[5]S[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5]B)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(N[5]S[5]){1|B<4>,1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5]B){1|Br<1>,1|C<3>,1|H<1>}	116.4190	0.000	1	116.4190	0.000	1	118.6187	1.002	7	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(N[5]O[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(N[5]O[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(N[5]O[5]){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(N[5]O[5]O){1|Cl<1>,1|C<3>,1|H<1>}	119.1260	0.221	4	119.1260	0.049	4	119.1260	0.049	4	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H)(N[5]C[5,5a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H)(N[5]C[5,5a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	119.9260	0.000	1	119.9260	0.000	1	120.6170	0.955	2	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H)(N[5]C[5,5a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H)(N[5]C[5,5a]){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.3080	0.000	1	121.3080	0.000	1	120.6170	0.955	2	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	121.9740	0.000	1	121.7044	0.231	7	121.7930	0.261	8	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	121.7200	0.571	2	121.7044	0.231	7	121.7930	0.261	8	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	121.7960	0.000	1	121.7044	0.231	7	121.7930	0.261	8	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	122.1660	0.000	1	121.7044	0.231	7	121.7930	0.261	8	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	121.7240	0.000	1	121.7044	0.231	7	121.7930	0.261	8	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.8310	0.000	1	121.7044	0.231	7	121.7930	0.261	8	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	122.4130	0.000	1	122.4130	0.000	1	121.7930	0.261	8	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]N[5])(C[5]C[5]C)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[5,6a]H)(H){1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]N[5])(C[5]C[5]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	124.6810	0.000	1	124.6810	0.000	1	124.6810	0.000	1	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[5]C[5,6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[5]C[5,6a]){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){3|C<3>,3|H<1>}	121.6920	0.143	2	121.7085	0.039	4	121.7085	0.039	4	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[5]C[5,6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[5]C[5,6a]){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|I<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|I<1>,2|H<1>,3|C<3>}	121.7250	0.308	2	121.7085	0.039	4	121.7085	0.039	4	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	122.6750	0.000	1	122.6750	0.000	1	122.6510	0.084	5	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	122.3690	0.000	1	122.3690	0.000	1	122.6510	0.084	5	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,2|H<1>,3|C<3>}	122.3410	0.000	1	122.7370	0.118	3	122.6510	0.084	5	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	122.9350	0.000	2	122.7370	0.118	3	122.6510	0.084	5	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|Br<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,3|H<1>}	123.0395	0.054	2	123.0395	0.003	2	121.9057	0.894	41	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|N<2>,1|N<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]N){1|C<3>,1|N<3>,2|H<1>}	122.5700	0.000	1	122.5700	0.000	1	121.9057	0.894	41	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,3|H<1>}	123.2610	0.000	1	123.2610	0.000	1	121.9057	0.894	41	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2){3|H<1>,4|C<3>}	121.8390	0.000	1	121.8390	0.000	1	121.9057	0.894	41	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,2|H<1>}	122.0080	0.000	1	122.3956	0.151	11	121.9057	0.894	41	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,3|H<1>}	122.2374	0.341	5	122.3956	0.151	11	121.9057	0.894	41	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){2|C<3>,2|H<1>}	122.7880	0.000	1	122.3956	0.151	11	121.9057	0.894	41	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|N<3>,2|H<1>}	122.0790	0.000	1	122.3956	0.151	11	121.9057	0.894	41	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Br<1>,1|C<3>,2|H<1>}	122.9880	0.000	1	122.3956	0.151	11	121.9057	0.894	41	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,3|H<1>}	122.7780	0.000	1	122.3956	0.151	11	121.9057	0.894	41	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){2|C<3>,2|H<1>}	122.5240	0.000	1	122.3956	0.151	11	121.9057	0.894	41	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|C<4>,2|H<1>}	122.0020	0.000	1	122.3785	0.284	2	121.9057	0.894	41	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H){2|C<3>,2|H<1>}	122.7550	0.000	1	122.3785	0.284	2	121.9057	0.894	41	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]I)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|I<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]I){1|Cl<1>,1|H<1>,2|C<3>}	122.1250	0.000	1	122.1250	0.000	1	121.9057	0.894	41	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|N<3>,2|H<1>}	121.2990	0.000	1	121.2850	0.270	7	121.9057	0.894	41	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|I<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|H<1>,1|I<1>,1|O<1>}	121.6340	0.000	1	121.2850	0.270	7	121.9057	0.894	41	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|Br<1>,1|C<3>,1|H<1>,1|N<3>}	120.4240	0.000	1	121.2850	0.270	7	121.9057	0.894	41	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|F<1>,1|H<1>,2|C<3>}	120.8250	0.000	1	121.2850	0.270	7	121.9057	0.894	41	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){2|C<3>,2|H<1>}	121.6043	0.347	3	121.2850	0.270	7	121.9057	0.894	41	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|N<3>,2|H<1>}	120.0590	0.000	1	121.2029	0.485	7	121.9057	0.894	41	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,2|H<1>}	121.3935	0.526	6	121.2029	0.485	7	121.9057	0.894	41	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]S)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|S<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]S){1|C<3>,3|H<1>}	122.2730	0.000	1	122.2730	0.000	1	121.9057	0.894	41	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(C[5]C[5]C){1|C<3>,3|H<1>}	124.2240	0.000	1	124.2240	0.000	1	121.9057	0.894	41	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]H){1|C<3>,1|C<4>,2|H<1>}	122.6310	0.000	1	122.6310	0.000	1	121.9057	0.894	41	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]C){1|Cl<1>,1|C<3>,1|H<1>}	121.8520	0.607	2	121.8520	0.368	2	121.9057	0.894	41	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,1|H<1>,1|N<3>}	120.3007	0.753	3	120.3007	0.567	3	121.9057	0.894	41	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,6])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,6]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,6]O){1|C<3>,2|C<4>,2|H<1>}	118.0510	0.000	1	118.0510	0.000	1	120.4660	0.919	71	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,3|H<1>}	122.1140	0.000	1	121.5670	0.598	2	120.4660	0.919	71	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|H<1>}	121.0200	0.000	1	121.5670	0.598	2	120.4660	0.919	71	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]){1|Cu<3>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,2|C<4>,2|H<1>}	119.2560	0.000	1	119.2560	0.000	1	120.4660	0.919	71	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|H<1>}	121.5360	0.000	1	121.5360	0.000	1	120.4660	0.919	71	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Al)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]){1|Al<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Al){2|C<3>,2|H<1>}	120.8060	0.000	1	121.0973	0.138	15	120.4660	0.919	71	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Al)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]){1|Al<5>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Al){2|C<3>,2|H<1>}	121.1181	0.376	14	121.0973	0.138	15	120.4660	0.919	71	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]){1|Co<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Co){2|C<3>,2|H<1>}	120.6440	0.547	6	120.6440	0.299	6	120.4660	0.919	71	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]){1|Cu<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Cu){1|C<3>,1|C<4>,2|H<1>}	121.2040	0.006	2	121.2040	0.000	2	120.4660	0.919	71	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]){1|Co<6>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Co<6>,1|C<3>,2|H<1>}	121.3450	0.000	1	121.3450	0.000	1	120.4660	0.919	71	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Ni)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]){1|Ni<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Ni){2|C<3>,2|H<1>}	120.9944	1.027	9	120.9944	1.055	9	120.4660	0.919	71	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,3|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]O){1|H<1>,1|N<3>,2|C<3>}	119.3730	0.000	1	119.3320	0.003	2	120.4660	0.919	71	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]O){1|Cl<1>,1|H<1>,2|C<3>}	119.2910	0.000	1	119.3320	0.003	2	120.4660	0.919	71	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Pd)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]){1|Pd<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Pd){2|C<3>,2|H<1>}	120.9660	0.000	1	120.9660	0.000	1	120.4660	0.919	71	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Re)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]){1|Re<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Re){2|C<3>,2|H<1>}	121.2143	0.798	3	121.2143	0.636	3	120.4660	0.919	71	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Ta)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]){1|Ta<7>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Ta){2|C<3>,2|H<1>}	121.7330	0.000	1	121.7330	0.000	1	120.4660	0.919	71	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Zn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]){1|Zn<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Zn){2|C<3>,2|H<1>}	121.1065	0.708	2	121.1065	0.501	2	120.4660	0.919	71	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]O[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]O[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]O[5]){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]O[5]O){1|C<3>,2|H<1>}	119.5100	0.000	1	119.5100	0.000	1	120.4660	0.919	71	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]O[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]I)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]O[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]O[5]){1|C<3>,1|H<1>,1|I<1>,1|O<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]O[5]O){1|C<3>,2|H<1>}	120.0100	0.208	2	120.0100	0.043	2	120.4660	0.919	71	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5]){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5]C){1|C<3>,2|H<1>}	119.7190	0.000	1	119.7190	0.000	1	120.4660	0.919	71	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5]Ru)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5]){1|Ru<6>,1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5]Ru){1|C<3>,2|H<1>}	120.0960	0.000	1	120.0960	0.000	1	120.4660	0.919	71	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]B)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]){1|B<4>,1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]B){1|C<3>,2|H<1>}	119.8028	0.228	4	119.8028	0.052	4	120.4660	0.919	71	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]C){1|C<3>,2|H<1>}	119.4874	0.491	15	119.4874	0.241	15	120.4660	0.919	71	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]N[5,5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]N[5,5]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]N[5,5]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]N[5,5]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	120.6820	0.000	1	120.6820	0.000	1	120.6820	0.000	1	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]B[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]B[5]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]B[5]){1|Ir<8>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]B[5]C[6])(C[6a]C[6a]H){1|Ir<8>,1|N<3>,2|C<3>,2|H<1>}	121.0790	0.000	1	121.0790	0.000	1	120.3097	0.616	6	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.9750	0.000	1	119.9750	0.000	1	120.3097	0.616	6	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]){1|Cd<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5a]N[5])(C[6a]C[6a]H){1|Cd<6>,1|C<3>,1|N<2>,1|N<3>,2|H<1>}	120.1730	0.000	1	120.1730	0.000	1	120.3097	0.616	6	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]){1|Ru<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6]N[5])(C[6a]C[6a]H){1|Ru<6>,1|N<3>,2|C<3>,2|H<1>}	121.4490	0.000	1	121.4490	0.000	1	120.3097	0.616	6	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]Se[5]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]Se[5]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	119.5910	0.160	2	119.5910	0.026	2	120.3097	0.616	6	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]C){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	125.2190	0.406	2	125.2190	0.165	2	125.2190	0.165	2	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|Ir<8>,1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(N[5]C[5]H){1|Ir<8>,1|C<3>,1|H<1>,1|O<2>}	125.5360	0.000	1	125.5360	0.000	1	125.5360	0.000	1	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(O[5]C[5,5]){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H){2|Cl<1>,3|C<3>}	121.1390	0.000	1	121.1390	0.000	1	122.5900	0.481	22	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(Cl)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(O[5]C[5,6]){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(Cl){1|Cl<1>,1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]O){2|Cl<1>,3|C<3>}	121.2055	0.066	2	121.2055	0.004	2	122.5900	0.481	22	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(Cl)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(O[5]C[5,6]){1|C<4>,1|O<1>,2|C<3>,2|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(Cl){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]O){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	122.8121	0.424	19	122.8121	0.179	19	122.5900	0.481	22	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	123.4960	0.000	1	123.4960	0.000	1	122.5434	5.324	8	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,2|C<3>,3|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	124.0290	0.000	1	124.3075	0.035	4	122.5434	5.324	8	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,2|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	124.4180	0.000	2	124.3075	0.035	4	122.5434	5.324	8	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,2|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|C<4>,3|C<3>,3|H<1>}	124.3650	0.000	1	124.3075	0.035	4	122.5434	5.324	8	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]P[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]P[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]P[5,5]){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<5>,2|C<3>}	C[5,6a](C[5,5]P[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|Cl<1>,2|H<1>,5|C<3>}	120.0900	0.000	1	119.8737	1.211	3	122.5434	5.324	8	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]P[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]P[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]P[5,5]){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<5>,2|C<3>}	C[5,6a](C[5,5]P[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){2|H<1>,6|C<3>}	119.7655	1.534	2	119.8737	1.211	3	122.5434	5.324	8	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	122.6180	0.000	1	122.6180	0.000	1	123.1804	2.308	5	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	123.3210	1.716	4	123.3210	2.946	4	123.1804	2.308	5	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[4,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[4,5]N)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[4,5]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[4,5]N)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	123.0950	0.000	1	123.0950	0.000	1	122.4821	0.886	42	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[4,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[4,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[4,5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[4,5]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	122.3570	0.000	1	122.4830	0.032	2	122.4821	0.886	42	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[4,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[4,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[4,5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[4,5]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	122.6090	0.000	1	122.4830	0.032	2	122.4821	0.886	42	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|O<1>,2|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){1|Cl<1>,1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]C){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	122.8670	0.000	1	122.8670	0.000	1	122.4821	0.886	42	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	123.1440	0.000	1	123.1440	0.000	1	122.4821	0.886	42	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]C[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	124.0640	0.000	1	124.0640	0.000	1	122.4821	0.886	42	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.8205	0.233	2	122.2078	0.427	16	122.4821	0.886	42	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	121.8565	0.163	2	122.2078	0.427	16	122.4821	0.886	42	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	122.2537	0.418	6	122.2078	0.427	16	122.4821	0.886	42	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	120.9540	0.000	1	122.2078	0.427	16	122.4821	0.886	42	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	122.6988	0.727	5	122.2078	0.427	16	122.4821	0.886	42	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6]){1|Cl<1>,1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)(H){1|C<4>,1|I<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]C[6])(C[6a]C[6a]H){1|H<1>,1|I<1>,5|C<3>}	124.1720	0.000	1	124.1720	0.000	1	122.4821	0.886	42	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	122.1324	0.811	8	121.9324	0.482	14	122.4821	0.886	42	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|H<1>,3|C<4>}	121.4805	0.228	4	121.9324	0.482	14	122.4821	0.886	42	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,1|O<1>,2|H<1>,2|S<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|S<2>}	122.4480	0.000	1	121.9324	0.482	14	122.4821	0.886	42	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6]){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	121.6240	0.000	1	121.9324	0.482	14	122.4821	0.886	42	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]O){1|C<3>,2|C<4>,2|H<1>}	122.9880	0.000	1	122.9880	0.000	1	122.4821	0.886	42	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	124.5980	0.000	1	124.4810	0.027	2	122.4821	0.886	42	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	124.3640	0.000	1	124.4810	0.027	2	122.4821	0.886	42	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	124.0040	0.000	1	123.8070	0.078	2	122.4821	0.886	42	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5]C[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	123.6100	0.000	1	123.8070	0.078	2	122.4821	0.886	42	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	122.4140	0.061	2	122.4140	0.004	2	123.0968	1.055	60	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|N<3>,3|H<1>}	123.1910	0.000	1	123.6661	0.837	24	123.0968	1.055	60	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){1|N<3>,2|C<3>,2|H<1>}	122.2220	0.000	1	123.6661	0.837	24	123.0968	1.055	60	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	124.4760	0.000	1	123.6661	0.837	24	123.0968	1.055	60	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Cl<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>}	124.0730	0.395	2	123.6661	0.837	24	123.0968	1.055	60	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,2|H<1>}	124.6284	0.310	8	123.6661	0.837	24	123.0968	1.055	60	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	124.1480	0.000	1	123.6661	0.837	24	123.0968	1.055	60	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	122.9022	0.295	5	123.6661	0.837	24	123.0968	1.055	60	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|H<1>,3|C<4>}	122.3240	0.000	1	123.6661	0.837	24	123.0968	1.055	60	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){2|H<1>,3|C<3>}	122.9855	0.436	4	123.6661	0.837	24	123.0968	1.055	60	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	122.6440	0.000	1	122.4790	0.549	28	123.0968	1.055	60	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	121.0760	0.000	1	122.4790	0.549	28	123.0968	1.055	60	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<2>,3|H<1>}	121.8150	0.000	1	122.4790	0.549	28	123.0968	1.055	60	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	121.8350	0.000	1	122.4790	0.549	28	123.0968	1.055	60	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	122.0648	0.260	5	122.4790	0.549	28	123.0968	1.055	60	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	121.7835	0.059	2	122.4790	0.549	28	123.0968	1.055	60	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	123.3060	0.000	1	122.4790	0.549	28	123.0968	1.055	60	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	122.0090	0.571	2	122.4790	0.549	28	123.0968	1.055	60	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|N<3>,2|C<3>,2|H<1>}	121.7610	0.000	1	122.4790	0.549	28	123.0968	1.055	60	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	121.6720	0.000	1	122.4790	0.549	28	123.0968	1.055	60	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Br<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|H<1>,2|C<3>}	122.8810	0.000	2	122.4790	0.549	28	123.0968	1.055	60	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|F<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|F<1>,1|H<1>,2|C<3>}	122.7750	0.000	1	122.4790	0.549	28	123.0968	1.055	60	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,2|H<1>}	123.3640	0.449	7	122.4790	0.549	28	123.0968	1.055	60	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|H<1>,1|O<2>,2|C<3>}	122.4580	0.000	1	122.4790	0.549	28	123.0968	1.055	60	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){2|H<1>,3|C<3>}	122.8500	0.000	1	122.4790	0.549	28	123.0968	1.055	60	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]2){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	124.3030	0.000	1	124.3030	0.000	1	123.0968	1.055	60	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,2|H<1>}	124.9630	0.440	2	124.9630	0.193	2	123.0968	1.055	60	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,3|H<1>}	122.9730	0.000	1	123.2195	0.122	2	123.0968	1.055	60	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,4|H<1>}	123.4660	0.000	1	123.2195	0.122	2	123.0968	1.055	60	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]N[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]N[5]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	122.9110	0.000	1	122.9110	0.000	1	123.0968	1.055	60	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(N[5]C[5]Al)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Al<4>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(N[5]C[5]Al){2|C<3>,2|H<1>}	124.7375	0.023	2	124.7375	0.001	2	123.9117	0.715	131	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(N[5]C[5]Mg)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Mg<4>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(N[5]C[5]Mg){2|C<3>,2|H<1>}	124.4370	0.207	12	124.4370	0.043	12	123.9117	0.715	131	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Al)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Al<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Al){2|C<3>,2|H<1>}	123.9798	0.278	6	124.0481	0.073	8	123.9117	0.715	131	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Al)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Al<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Al){2|C<3>,2|H<1>}	124.2530	0.109	2	124.0481	0.073	8	123.9117	0.715	131	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Be)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Be<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Be){2|C<3>,2|H<1>}	123.5555	0.255	2	123.5555	0.065	2	123.9117	0.715	131	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	123.5593	0.171	3	123.2091	0.807	7	123.9117	0.715	131	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|H<1>}	123.4500	0.000	1	123.2091	0.807	7	123.9117	0.715	131	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Re<6>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Re<6>,1|C<3>,2|H<1>}	124.2120	0.000	1	123.2091	0.807	7	123.9117	0.715	131	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,3|H<1>}	122.6610	0.000	1	123.2091	0.807	7	123.9117	0.715	131	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	121.4630	0.000	1	123.2091	0.807	7	123.9117	0.715	131	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Co<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<4>,1|H<1>,2|C<3>}	123.7570	0.000	1	123.4940	0.052	3	123.9117	0.715	131	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Co<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Co){2|C<3>,2|H<1>}	123.3625	0.030	2	123.4940	0.052	3	123.9117	0.715	131	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Cr)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Cr<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Cr){1|C<4>,1|H<1>,2|C<3>}	123.1850	0.000	1	123.1850	0.000	1	123.9117	0.715	131	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Cu<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Cu){2|C<3>,2|H<1>}	123.8500	0.344	6	123.8500	0.119	6	123.9117	0.715	131	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	123.6107	0.247	3	123.7726	0.134	7	123.9117	0.715	131	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|S<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|S<1>,2|H<1>}	124.5190	0.000	1	123.7726	0.134	7	123.9117	0.715	131	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|S<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|S<2>,2|H<1>}	123.5590	0.000	1	123.7726	0.134	7	123.9117	0.715	131	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Pd<4>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Pd<4>,1|C<3>,2|H<1>}	123.7590	0.000	1	123.7726	0.134	7	123.9117	0.715	131	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Re<6>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Re<6>,1|C<3>,2|H<1>}	123.7390	0.000	1	123.7726	0.134	7	123.9117	0.715	131	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ir<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ir){2|C<3>,2|H<1>}	124.4275	1.225	2	123.8965	0.885	30	123.9117	0.715	131	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ir<5>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ir){2|C<3>,2|H<1>}	124.6900	0.400	2	123.8965	0.885	30	123.9117	0.715	131	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ir<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ir){1|C<4>,1|H<1>,2|C<3>}	123.6100	0.566	4	123.8965	0.885	30	123.9117	0.715	131	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ir<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ir){2|C<3>,2|H<1>}	124.2424	0.972	14	123.8965	0.885	30	123.9117	0.715	131	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ir<7>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ir){2|C<3>,2|H<1>}	123.1945	0.483	6	123.8965	0.885	30	123.9117	0.715	131	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ir<8>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ir){1|C<4>,1|H<1>,2|C<3>}	122.8305	0.739	2	123.8965	0.885	30	123.9117	0.715	131	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Li)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Li<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Li){2|C<3>,2|H<1>}	124.1565	0.016	2	124.1565	0.000	2	123.9117	0.715	131	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Mn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Mn<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Mn){2|C<3>,2|H<1>}	124.3805	0.060	2	124.3805	0.004	2	123.9117	0.715	131	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ni<5>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ni){2|C<3>,2|H<1>}	123.8963	0.290	3	123.9288	0.174	6	123.9117	0.715	131	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ni<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ni){1|C<4>,1|H<1>,2|C<3>}	123.3240	0.000	1	123.9288	0.174	6	123.9117	0.715	131	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ni<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ni){2|C<3>,2|H<1>}	124.2800	0.296	2	123.9288	0.174	6	123.9117	0.715	131	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Os)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Os<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Os){2|C<3>,2|H<1>}	124.1313	0.597	7	124.1313	0.357	7	123.9117	0.715	131	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Pd)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Pd){1|C<3>,1|C<4>,2|H<1>}	123.2230	0.000	1	123.8980	0.911	2	123.9117	0.715	131	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Pd)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Pd<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Pd){2|C<3>,2|H<1>}	124.5730	0.000	1	123.8980	0.911	2	123.9117	0.715	131	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Pt)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Pt<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Pt){1|C<3>,1|H<1>,2|C<4>}	122.4550	0.000	1	123.8300	0.702	9	123.9117	0.715	131	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Pt)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Pt<4>,1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Pt){1|C<3>,1|S<2>,2|H<1>}	123.8295	0.742	6	123.8300	0.702	9	123.9117	0.715	131	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Pt)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Pt<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Pt){2|C<3>,2|H<1>}	124.4090	0.000	1	123.8300	0.702	9	123.9117	0.715	131	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Pt)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Pt<5>,1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Pt){1|C<3>,1|S<2>,2|H<1>}	124.6290	0.000	1	123.8300	0.702	9	123.9117	0.715	131	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Re)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Re<6>,1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Re){1|C<3>,1|S<2>,2|H<1>}	124.6010	0.000	1	123.9040	0.546	3	123.9117	0.715	131	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Re)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Re<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Re){2|C<3>,2|H<1>}	123.5555	0.603	2	123.9040	0.546	3	123.9117	0.715	131	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ru<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ru){2|C<3>,2|H<1>}	124.2942	0.325	5	124.1486	0.158	7	123.9117	0.715	131	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ru<9>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ru){1|C<3>,1|C<4>,2|H<1>}	123.7845	0.394	2	124.1486	0.158	7	123.9117	0.715	131	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Zn<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Zn){1|C<3>,1|C<4>,2|H<1>}	124.5092	0.288	5	124.2694	0.228	9	123.9117	0.715	131	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Zn<4>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Zn){1|C<3>,3|H<1>}	123.9698	0.531	4	124.2694	0.228	9	123.9117	0.715	131	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]N)(N[5]C[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Co<6>,1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]N)(N[5]C[5]Co){1|C<3>,3|H<1>}	124.9660	0.000	1	124.9660	0.000	1	123.9117	0.715	131	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]N)(N[5]C[5]Ni)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ni<6>,1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]N)(N[5]C[5]Ni){1|C<3>,3|H<1>}	125.4360	0.000	1	125.4360	0.000	1	123.9117	0.715	131	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|N<3>,1|S<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|S<1>,2|H<1>}	123.7660	0.000	1	123.7660	0.000	1	123.9117	0.715	131	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]P[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]P[5]P)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]P[5]){1|P<3>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|P<5>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]P[5]P){3|C<3>,3|H<1>}	122.0780	0.000	1	122.0780	0.000	1	123.9117	0.715	131	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]Si[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]Si[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]Si[5]){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|C<3>,2|C<4>,2|H<1>}	120.4200	0.000	1	120.2125	0.086	2	123.9117	0.715	131	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]Si[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]Si[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]Si[5]){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]Si[5]C){2|H<1>,3|C<3>}	120.0050	0.000	1	120.2125	0.086	2	123.9117	0.715	131	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-3:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]B[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]B[5]Ru)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]B[5]){1|Ru<7>,1|C<3>,1|C<4>,1|H<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|B<5>,1|C<3>,1|H<1>,1|O<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]B[5]Ru){1|C<3>,1|C<4>,1|H<2>,2|H<1>}	120.5170	0.000	1	120.5170	0.000	1	120.8950	1.450	3	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-3:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]B[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]B[5]Zr)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]B[5]){1|Zr<6>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,1|O<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]B[5]Zr){1|C<3>,3|H<1>}	122.2430	0.000	1	122.2430	0.000	1	120.8950	1.450	3	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-3:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cu)(O[5]C[5]Li)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Cu<3>,1|Li<3>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cu)(O[5]C[5]Li){2|C<3>,3|H<1>}	119.9250	0.000	1	119.9250	0.000	1	120.8950	1.450	3	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(P[5]C[5]C)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(O[5]C[5]){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,1|P<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(P[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	122.5310	0.000	1	122.5310	0.000	1	122.5310	0.000	1	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|B<4>,1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){2|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	125.5430	0.000	1	124.0569	0.380	18	124.0351	0.399	27	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|B<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	123.8190	0.312	6	124.0569	0.380	18	124.0351	0.399	27	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|B<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,2|O<2>}	125.1420	0.000	1	124.0569	0.380	18	124.0351	0.399	27	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|B<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	124.6730	0.256	2	124.0569	0.380	18	124.0351	0.399	27	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|B<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|F<1>,2|H<1>}	123.6733	0.321	6	124.0569	0.380	18	124.0351	0.399	27	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|B<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	124.0200	0.126	2	124.0569	0.380	18	124.0351	0.399	27	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	123.8765	1.041	4	123.9121	0.493	8	124.0351	0.399	27	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	124.0323	0.227	3	123.9121	0.493	8	124.0351	0.399	27	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	123.6940	0.000	1	123.9121	0.493	8	124.0351	0.399	27	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|B<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|F<1>,2|H<1>}	124.6260	0.000	1	124.6260	0.000	1	124.0351	0.399	27	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	122.3600	0.000	1	122.3600	0.000	1	122.3600	0.000	1	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]B[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(O[5]B[5,5]Li)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]B[5,5]){1|Li<4>,1|C<3>,1|O<2>,1|O<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|O<3>}	C[5,6a](C[5,6a]C[6a]O[5])(O[5]B[5,5]Li)(C[6a]C[6a]H){1|C<3>,1|O<2>,1|O<3>,2|H<1>}	121.3605	0.220	2	121.3605	0.048	2	120.1730	2.206	6	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]B[5,5a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(O[5]B[5,5a]Li)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]B[5,5a]){1|Li<4>,1|C<3>,2|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|O<3>}	C[5,6a](C[5,6a]C[6a]O[5])(O[5]B[5,5a]Li)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|O<2>}	121.1550	0.000	1	121.1550	0.000	1	120.1730	2.206	6	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]B[5,5a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(O[5]B[5,5a]Ni)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]B[5,5a]){1|Ni<4>,1|C<3>,2|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|O<3>}	C[5,6a](C[5,6a]C[6a]O[5])(O[5]B[5,5a]Ni)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|O<2>}	120.5360	0.000	1	120.5360	0.000	1	120.1730	2.206	6	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]Ga[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(O[5]Ga[5,5]Pd)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]Ga[5,5]){1|Cl<1>,1|Pd<5>,1|C<3>,1|C<4>,1|H<1>,1|O<2>,1|O<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Ga<6>,1|C<3>,1|H<1>,1|O<3>}	C[5,6a](C[5,6a]C[6a]O[5])(O[5]Ga[5,5]Pd)(C[6a]C[6a]C){1|Cl<1>,1|C<3>,1|O<2>,1|O<3>,2|H<1>}	118.3130	0.385	2	118.3130	0.148	2	120.1730	2.206	6	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(H){1|C<4>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]C){3|H<1>,4|C<3>}	124.2740	0.000	1	124.2740	0.000	1	123.0793	1.079	3	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(H){1|C<4>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]O){1|O<2>,2|H<1>,4|C<3>}	122.4820	0.134	2	122.4820	0.018	2	123.0793	1.079	3	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(N[5]C[5]Ir)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ir<6>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(H){1|N<3>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(N[5]C[5]Ir){2|H<1>,4|C<3>}	125.6980	0.150	2	125.6980	0.022	2	125.6980	0.022	2	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5]Ga[5,5]C[5,5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|Ga<5>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](N[5,5]Ga[5,5]C[5,5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){2|Cl<1>,2|C<3>,2|H<1>,2|N<3>}	123.6425	0.134	2	123.6425	0.018	2	121.6602	3.369	5	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(O[5]Si[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(O[5]Si[5,5]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Si<5>,1|C<3>,1|H<1>,1|N<3>}	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	120.1150	0.247	2	120.3387	0.181	3	121.6602	3.369	5	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(O[5]Si[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(O[5]Si[5,5]){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Si<5>,1|C<3>,1|H<1>,1|N<3>}	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,2|N<3>,3|C<3>}	120.7860	0.000	1	120.3387	0.181	3	121.6602	3.369	5	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[6a]C[6a]H)(O[5]C[5,5a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[6a]C[6a]H)(O[5]C[5,5a]){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](N[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|S<2>,2|H<1>,2|N<2>}	123.2280	0.000	1	123.2280	0.000	1	123.2280	0.000	1	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]B[5,6]C[5,6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|B<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](N[5,6]B[5,6]C[5,6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	124.2630	0.000	1	124.2630	0.000	1	123.3137	2.257	12	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]C[5,6]Ga[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|Ga<4>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](N[5,6]C[5,6]Ga[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]C){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	124.8320	0.520	2	124.8320	0.271	2	123.3137	2.257	12	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]C[5,6]Ga[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|Ga<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](N[5,6]C[5,6]Ga[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	123.8905	0.167	4	123.9670	0.050	5	123.3137	2.257	12	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]C[5,6]Ga[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|Ga<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](N[5,6]C[5,6]Ga[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	124.2730	0.000	1	123.9670	0.050	5	123.3137	2.257	12	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]Si[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]Si[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]Si[5,6]){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Si<5>,1|C<3>,1|H<1>,1|N<3>}	C[5,6a](N[5,6]Si[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	122.2830	0.482	2	121.5005	1.188	4	123.3137	2.257	12	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]Si[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]Si[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]Si[5,6]){1|O<2>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Si<6>,1|C<3>,1|H<1>,1|N<3>}	C[5,6a](N[5,6]Si[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|N<3>}	121.3820	0.000	1	121.5005	1.188	4	123.3137	2.257	12	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]Si[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]Si[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]Si[5,6]){1|Si<4>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Si<5>,1|C<3>,1|H<1>,1|N<3>}	C[5,6a](N[5,6]Si[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|Si<4>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	120.0540	0.000	1	121.5005	1.188	4	123.3137	2.257	12	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(O[5]C[5])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(O[5]C[5]){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H){1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(C[5]C[5]O){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	125.6290	0.000	1	125.6290	0.000	1	126.0960	0.436	2	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(O[5]C[5])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(C[5]C[6a]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(O[5]C[5]){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H){2|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(C[5]C[6a]C[5]){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	126.5630	0.000	1	126.5630	0.000	1	126.0960	0.436	2	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(O[5]C[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(O[5]C[5]){1|Ir<8>,1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(N[5]C[5]H){1|Ir<8>,1|C<3>,1|H<1>,1|O<2>}	126.9490	0.000	1	126.9490	0.000	1	126.9490	0.000	1	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(O[5]C[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(O[5]C[5]){1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(N[5]C[5]H){1|H<1>,1|S<1>,2|C<3>}	124.1050	0.000	1	124.1050	0.000	1	124.1050	0.000	1	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:P[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5]){1|C<3>,1|C<4>,1|P<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|P<3>,2|H<1>}	118.9900	0.000	1	118.6620	0.082	3	118.5530	0.113	6	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:P[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,3|H<1>}	118.4980	0.054	2	118.6620	0.082	3	118.5530	0.113	6	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:P[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,2|H<1>}	118.4440	0.405	3	118.4440	0.164	3	118.5530	0.113	6	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]F)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]Br)(F)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]F)(N[5]C[5]Zn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]F)(S[5]C[5]){1|Br<1>,1|Zn<4>,1|F<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]Br)(F){1|F<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]F)(N[5]C[5]Zn){2|C<3>,2|F<1>}	120.3710	1.424	2	120.3710	2.028	2	120.6627	0.771	18	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]F)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]F)(N[5]C[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]F)(S[5]C[5]){1|Cu<4>,2|C<3>,2|F<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]F)(F){1|F<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]F)(N[5]C[5]Cu){2|C<3>,2|F<1>}	120.8985	0.361	2	120.8985	0.131	2	120.6627	0.771	18	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]F)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]F)(N[5]C[5]Tb)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]F)(S[5]C[5]){1|Tb<12>,1|C<3>,1|S<2>,2|F<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]F)(F){1|C<3>,1|C<4>,1|F<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]F)(N[5]C[5]Tb){1|C<3>,1|S<2>,2|F<1>}	121.4742	0.182	4	121.4742	0.033	4	120.6627	0.771	18	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]F)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]F)(N[5]C[5]Yb)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]F)(S[5]C[5]){1|Yb<12>,1|C<3>,1|S<2>,2|F<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]F)(F){1|C<3>,1|C<4>,1|F<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]F)(N[5]C[5]Yb){1|C<3>,1|S<2>,2|F<1>}	120.6820	0.847	7	120.6820	0.717	7	120.6627	0.771	18	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]F)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]F)(N[5]C[5]Zn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]F)(S[5]C[5]){1|Zn<4>,1|C<2>,1|C<3>,2|F<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]F)(F){1|F<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]F)(N[5]C[5]Zn){1|C<2>,1|C<3>,2|F<1>}	119.4030	0.000	1	119.5885	0.069	2	120.6627	0.771	18	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]F)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]F)(N[5]C[5]Zn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]F)(S[5]C[5]){1|Zn<4>,2|C<3>,2|F<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]F)(F){1|F<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]F)(N[5]C[5]Zn){2|C<3>,2|F<1>}	119.7740	0.000	1	119.5885	0.069	2	120.6627	0.771	18	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]F)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(F)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]F)(S[5]C[5]){1|Ir<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(F){1|F<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ir){2|C<3>,2|F<1>}	119.5410	0.000	1	119.5410	0.000	1	120.6627	0.771	18	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]F)(S[5]C[5,6])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]F)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]F)(S[5]C[5,6]){1|B<4>,1|C<3>,1|N<2>,2|F<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]F)(F){1|F<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]F){1|C<3>,1|N<2>,1|O<2>,4|F<1>}	121.2540	0.000	1	121.2540	0.000	1	121.2540	0.000	1	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5]){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|C<4>,3|H<1>}	121.0600	0.000	1	121.0600	0.000	1	121.0600	0.000	1	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5,6]C[5,6]2)(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	121.5475	0.030	2	121.5475	0.001	2	121.5992	0.020	6	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5,6]C[5,6]2)(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	121.6250	0.176	4	121.6250	0.031	4	121.5992	0.020	6	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5,5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5,5]){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.1793	0.076	3	120.1915	0.072	11	120.2569	0.117	12	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5,5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5,5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	120.2750	0.427	4	120.1915	0.072	11	120.2569	0.117	12	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5,5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5,5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|H<1>,3|C<4>}	119.9550	0.045	2	120.1915	0.072	11	120.2569	0.117	12	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5,5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5,5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	120.2795	0.078	2	120.1915	0.072	11	120.2569	0.117	12	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5,6])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5,6]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	120.9760	0.000	1	120.9760	0.000	1	120.2569	0.117	12	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]C)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]){1|Cl<1>,1|C<4>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]Cl)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]C)(C[5]C[5]O){2|C<3>,2|H<1>}	121.7255	0.114	2	121.7255	0.013	2	121.0154	0.221	20	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]Cl)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]){2|Cl<1>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]Cl)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]Cl)(C[5]C[5]O){2|C<3>,2|H<1>}	121.5485	0.845	2	121.5485	0.714	2	121.0154	0.221	20	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,1|H<1>,2|C<3>}	120.9080	0.000	1	120.8095	0.070	13	121.0154	0.221	20	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,2|H<1>}	120.8357	0.258	11	120.8095	0.070	13	121.0154	0.221	20	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O){2|H<1>,3|C<3>}	120.4230	0.000	1	120.8095	0.070	13	121.0154	0.221	20	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]){1|Zn<5>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C){1|Zn<5>,1|C<3>,2|H<1>}	121.6510	0.000	1	121.6510	0.000	1	121.0154	0.221	20	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]S[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]S[5]S)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]S[5]){1|C<3>,1|S<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]S[5]S){1|C<3>,2|H<1>}	120.7925	0.004	2	120.7925	0.000	2	121.0154	0.221	20	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5,5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5,5]){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,2|C<3>,2|H<1>}	121.9570	0.000	1	121.9570	0.000	1	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5,5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5,5]){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5,5]H){1|Cl<1>,1|H<1>,3|C<3>}	121.3865	0.009	2	121.3865	0.000	2	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5,6])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5,6]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|H<1>}	121.5940	0.461	2	121.5940	0.213	2	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5,6])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5,6]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5,6]){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5,6]H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	120.7840	0.625	2	120.7840	0.391	2	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|H<1>}	121.2993	0.284	3	121.2993	0.081	3	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,2|H<1>}	120.9970	0.000	1	120.9970	0.000	1	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Ir<6>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ir){2|C<3>,2|H<1>}	121.1770	0.000	1	121.1770	0.000	1	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Cl<1>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,2|H<1>}	121.0950	0.000	1	121.0950	0.000	1	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Cl<1>,1|Ir<8>,1|C<3>,1|H<1>,1|N<2>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ir){1|C<3>,1|N<2>,2|H<1>}	121.5900	0.000	1	121.5900	0.000	1	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Pd)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Cl<1>,1|Pd<4>,1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Pd){1|C<3>,1|N<3>,2|H<1>}	122.9530	1.086	2	122.9530	1.180	2	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|S<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|S<1>,2|H<1>}	123.4060	0.000	1	123.4060	0.000	1	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]C)(N[5]C[5]Al)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Al<4>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]C)(N[5]C[5]Al){1|C<3>,1|N<2>,2|H<1>}	123.0340	0.298	2	123.0340	0.089	2	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]C)(N[5]C[5]Os)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Os<6>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]C)(N[5]C[5]Os){1|C<3>,1|C<4>,2|H<1>}	120.3530	0.000	1	120.3530	0.000	1	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Al)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Al<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Al){2|C<3>,2|H<1>}	121.5493	0.214	7	121.6594	0.102	9	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Al)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Al<5>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Al){2|C<3>,2|H<1>}	122.0450	0.399	2	121.6594	0.102	9	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|B<3>,1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B){1|C<3>,1|S<2>,2|H<1>}	121.7034	1.463	10	121.4556	0.966	32	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|B<3>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B){1|C<3>,2|C<4>,2|H<1>}	121.1920	0.000	1	121.4556	0.966	32	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|B<3>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B){2|C<3>,3|H<1>}	121.0055	0.774	2	121.4556	0.966	32	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|B<4>,1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B){1|C<3>,1|S<2>,2|H<1>}	121.0968	0.840	8	121.4556	0.966	32	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|B<5>,1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B){1|C<3>,1|S<2>,2|H<1>}	121.5970	0.530	11	121.4556	0.966	32	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Be)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Be<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Be){2|C<3>,2|H<1>}	121.6260	0.188	2	121.6260	0.035	2	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Bi)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Bi<5>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Bi){1|C<3>,1|C<4>,2|H<1>}	121.3655	0.422	6	121.3655	0.178	6	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<2>,1|C<3>,2|H<1>}	120.8460	0.000	1	120.9397	0.677	93	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,2|H<1>}	120.8970	0.442	8	120.9397	0.677	93	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|C<4>,1|S<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|S<1>,2|H<1>}	120.7998	0.746	5	120.9397	0.677	93	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|S<2>,2|H<1>}	120.7188	0.195	5	120.9397	0.677	93	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,3|H<1>}	120.0283	1.866	6	120.9397	0.677	93	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,2|H<1>}	121.2190	0.000	1	120.9397	0.677	93	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|H<1>}	121.0817	0.713	49	120.9397	0.677	93	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,1|O<2>,2|C<3>}	120.3527	0.354	3	120.9397	0.677	93	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Ir<8>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<8>,1|C<3>,2|H<1>}	119.8075	1.194	2	120.9397	0.677	93	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,2|H<1>}	121.3612	0.542	5	120.9397	0.677	93	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Pd<5>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<5>,1|C<3>,2|H<1>}	120.9340	0.000	1	120.9397	0.677	93	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Ru<7>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<7>,1|C<3>,2|H<1>}	121.2190	0.000	1	120.9397	0.677	93	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Ru<8>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<8>,1|C<3>,2|H<1>}	120.8210	0.000	1	120.9397	0.677	93	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|S<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|S<1>,2|H<1>}	120.3530	0.000	1	120.9397	0.677	93	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Se<1>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<1>,1|C<3>,2|H<1>}	121.3160	0.122	2	120.9397	0.677	93	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	122.2030	0.000	1	120.9397	0.677	93	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){2|H<1>,3|C<3>}	121.7450	0.000	1	120.9397	0.677	93	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Co<4>,1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<3>,1|N<3>,2|H<1>}	121.5660	0.129	2	121.3876	0.207	5	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Co<4>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<3>,3|H<1>}	120.6280	0.000	1	121.3876	0.207	5	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Co<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Co){2|C<3>,2|H<1>}	121.5890	0.300	2	121.3876	0.207	5	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Cu<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Cu){2|C<3>,2|H<1>}	120.3290	0.000	1	121.2831	0.412	18	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Cu<3>,1|C<3>,1|S<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,1|S<3>,2|H<1>}	121.3337	0.329	3	121.2831	0.412	18	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Cu<4>,1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,1|N<3>,2|H<1>}	120.8825	0.062	2	121.2831	0.412	18	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Cu<4>,1|C<3>,1|P<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,1|P<4>,2|H<1>}	121.9440	0.123	2	121.2831	0.412	18	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Cu<4>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,3|H<1>}	121.6595	0.030	2	121.2831	0.412	18	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Cu<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Cu){2|C<3>,2|H<1>}	121.3166	0.743	5	121.2831	0.412	18	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Cu<5>,1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,1|N<3>,2|H<1>}	120.1940	0.000	1	121.2831	0.412	18	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Cu<5>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,3|H<1>}	120.8480	0.000	1	121.2831	0.412	18	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Cu<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Cu){2|C<3>,2|H<1>}	122.1690	0.000	1	121.2831	0.412	18	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Fe)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Fe<4>,1|C<3>,1|P<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Fe){1|C<3>,1|P<2>,2|H<1>}	121.2750	0.364	7	121.3379	0.187	9	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Fe)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Fe<4>,1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Fe){1|C<3>,1|S<2>,2|H<1>}	122.0950	0.000	1	121.3379	0.187	9	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Fe)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Fe<5>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Fe){2|C<3>,2|H<1>}	121.0210	0.000	1	121.3379	0.187	9	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|N<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,2|H<1>}	121.3270	0.000	1	120.8183	0.573	52	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,2|H<1>}	120.7778	0.569	26	120.8183	0.573	52	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|P<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|P<2>,2|H<1>}	121.2730	0.000	1	120.8183	0.573	52	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|S<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|S<1>,2|H<1>}	120.6690	0.000	1	120.8183	0.573	52	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|S<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	119.3990	0.424	2	120.8183	0.573	52	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|S<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|S<2>,2|H<1>}	121.1765	0.397	4	120.8183	0.573	52	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,2|C<4>,2|H<1>}	120.9060	0.000	1	120.8183	0.573	52	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,3|H<1>}	120.4494	0.350	5	120.8183	0.573	52	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Se<1>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Se<1>,1|C<3>,2|H<1>}	120.9610	0.000	1	120.8183	0.573	52	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,2|H<1>}	120.7742	0.321	9	120.8183	0.573	52	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){2|H<1>,3|C<3>}	124.4710	0.000	1	120.8183	0.573	52	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Ir<6>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ir){1|C<3>,3|H<1>}	121.1610	0.000	1	121.1572	0.774	101	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Ir<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ir){1|C<4>,1|H<1>,2|C<3>}	122.1055	0.088	2	121.1572	0.774	101	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Ir<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ir){2|C<3>,2|H<1>}	121.1430	0.864	94	121.1572	0.774	101	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Ir<7>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ir){2|C<3>,2|H<1>}	121.0145	1.434	4	121.1572	0.774	101	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]La)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|La<14>,1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]La){1|C<3>,1|S<2>,2|H<1>}	121.1527	0.553	3	121.1527	0.306	3	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Mg)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){2|Mg<4>,1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Mg){1|Mg<4>,1|C<3>,2|H<1>}	121.2700	0.000	1	121.2700	0.000	1	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Mn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Mn<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Mn){2|C<3>,2|H<1>}	122.2575	0.988	2	122.2575	0.976	2	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Mo)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Mo<9>,1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Mo){1|C<3>,1|N<3>,2|H<1>}	121.8400	0.212	3	121.8400	0.045	3	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Ni<4>,1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ni){1|C<3>,1|S<2>,2|H<1>}	120.6918	0.929	12	120.7221	0.964	16	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Ni<5>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ni){2|C<3>,2|H<1>}	122.5350	0.000	1	120.7221	0.964	16	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Ni<6>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ni){1|C<3>,1|N<2>,2|H<1>}	119.5960	0.000	1	120.7221	0.964	16	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Ni<6>,1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ni){1|C<3>,1|S<2>,2|H<1>}	120.5605	0.585	2	120.7221	0.964	16	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]P)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|P<4>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]P){1|C<3>,1|S<2>,2|H<1>}	121.1805	0.182	2	121.1805	0.033	2	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Pd)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Pd<4>,1|C<3>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Pd){1|C<3>,1|O<2>,2|H<1>}	121.6630	0.000	1	121.5350	0.205	18	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Pd)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Pd<4>,1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Pd){1|C<3>,1|S<2>,2|H<1>}	121.5364	0.262	11	121.5350	0.205	18	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Pd)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Pd<4>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Pd){1|C<3>,3|H<1>}	121.1540	0.117	2	121.5350	0.205	18	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Pd)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Pd<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Pd){2|C<3>,2|H<1>}	121.6898	0.891	4	121.5350	0.205	18	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Pt)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Pt<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Pt){1|C<3>,1|C<4>,2|H<1>}	121.1700	0.000	1	121.1326	0.706	18	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Pt)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Pt<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Pt){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	122.2020	0.000	1	121.1326	0.706	18	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Pt)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Pt<4>,1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Pt){1|C<3>,1|S<2>,2|H<1>}	120.4877	0.816	6	121.1326	0.706	18	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Pt)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Pt<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Pt){2|C<3>,2|H<1>}	121.1594	0.873	5	121.1326	0.706	18	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Pt)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Pt<5>,1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Pt){1|C<3>,1|S<2>,2|H<1>}	121.6178	0.434	4	121.1326	0.706	18	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Pt)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Pt<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Pt){2|C<3>,2|H<1>}	121.8210	0.000	1	121.1326	0.706	18	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Re)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Re<6>,1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Re){1|C<3>,1|S<2>,2|H<1>}	122.1680	0.023	2	121.5999	0.426	15	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Re)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Re<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Re){2|C<3>,2|H<1>}	121.5125	0.659	13	121.5999	0.426	15	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Rh)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Rh<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Rh){1|C<4>,1|H<1>,2|C<3>}	120.4320	0.628	2	120.7110	0.431	3	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Rh)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Rh<8>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Rh){2|C<3>,2|H<1>}	121.2690	0.000	1	120.7110	0.431	3	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Ru<6>,1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ru){1|C<3>,1|N<3>,2|H<1>}	120.6230	0.000	1	121.5160	0.510	4	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Ru<8>,1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ru){1|C<3>,1|S<2>,2|H<1>}	122.1160	0.000	1	121.5160	0.510	4	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Ru<9>,1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ru){1|C<3>,1|N<3>,2|H<1>}	121.6625	0.575	2	121.5160	0.510	4	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|N<2>,1|S<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|N<2>,2|H<1>}	120.9915	0.057	2	120.6325	0.222	4	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|N<3>,1|S<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|N<3>,2|H<1>}	120.0020	0.000	1	120.6325	0.222	4	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|S<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]S){2|C<3>,3|H<1>}	120.5450	0.000	1	120.6325	0.222	4	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Sn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Sn<5>,1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Sn){1|C<3>,1|S<2>,2|H<1>}	121.4780	0.000	1	121.4780	0.000	1	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ta)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Ta<11>,1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ta){1|C<3>,1|S<2>,2|H<1>}	121.0750	0.000	1	121.0750	0.000	1	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ti)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Ti<8>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ti){2|C<3>,2|H<1>}	122.3640	1.104	4	122.3640	1.219	4	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]U)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|U<14>,1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]U){1|C<3>,1|S<2>,2|H<1>}	120.9950	0.215	3	121.1900	0.126	5	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]U)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|U<16>,1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]U){1|C<3>,1|S<2>,2|H<1>}	121.4825	0.354	2	121.1900	0.126	5	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Yb)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Yb<14>,1|C<3>,1|O<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Yb){1|C<3>,1|O<3>,2|H<1>}	119.0560	0.000	1	119.0560	0.000	1	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Zn<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Zn){1|C<3>,1|C<4>,2|H<1>}	120.9865	0.448	2	121.2345	0.253	18	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Zn<4>,1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Zn){1|C<3>,1|N<3>,2|H<1>}	121.2655	0.852	4	121.2345	0.253	18	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Zn<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Zn){2|C<3>,2|H<1>}	121.4370	0.250	5	121.2345	0.253	18	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Zn<5>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Zn){2|C<3>,2|H<1>}	121.1430	0.463	7	121.2345	0.253	18	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]Os)(N[5]C[5]Os)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){2|Os<5>,1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]Os)(N[5]C[5]Os){1|C<3>,1|C<4>,2|H<1>}	120.6430	0.000	1	120.9703	0.539	3	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]Os)(N[5]C[5]Os)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){2|Os<5>,1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]Os)(N[5]C[5]Os){1|C<3>,3|H<1>}	121.1340	0.957	2	120.9703	0.539	3	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|H<1>}	121.7910	0.000	1	121.7910	0.000	1	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Cu<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,1|N<2>,2|H<1>}	120.6470	0.000	1	120.6470	0.000	1	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|N<3>,1|S<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|S<1>,2|H<1>}	120.8060	0.000	1	120.8935	0.015	2	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,2|H<1>}	120.9810	0.000	1	120.8935	0.015	2	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Pt)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Pt<4>,1|C<3>,1|H<1>,2|N<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Pt){1|C<3>,1|N<3>,2|H<1>}	121.4520	0.066	2	121.4520	0.004	2	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,2|H<1>}	120.5070	0.000	1	121.6589	0.299	9	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,2|H<1>}	121.8202	0.423	6	121.6589	0.299	9	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,2|H<1>}	121.7510	0.048	2	121.6589	0.299	9	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Pt)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Pt<4>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Pt){1|C<3>,1|C<4>,2|H<1>}	122.3590	0.000	1	122.3590	0.000	1	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]S)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|N<3>,1|S<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]S)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,2|H<1>}	121.2590	0.000	1	121.2590	0.000	1	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]P[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]P[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]P[5]){1|Se<1>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|P<4>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]P[5]H){1|Se<1>,2|C<3>,2|H<1>}	120.9800	0.000	1	120.9800	0.000	1	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]Si[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]Si[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]Si[5]){1|C<3>,1|S<2>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	120.5410	0.000	1	120.4535	0.015	2	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]Si[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]Si[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]Si[5]){1|Se<2>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	120.3660	0.000	1	120.4535	0.015	2	121.1799	0.683	489	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5]){1|P<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]2)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|P<2>,1|S<2>,2|H<1>}	120.4010	0.000	1	120.4010	0.000	1	120.4899	0.439	21	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5]){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	121.4390	0.000	1	120.4903	0.487	19	120.4899	0.439	21	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5]){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	120.2269	0.541	13	120.4903	0.487	19	120.4899	0.439	21	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5]){1|Se<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|Se<2>,2|H<1>,3|C<3>}	121.9410	0.000	1	120.4903	0.487	19	120.4899	0.439	21	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5]){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	120.7463	0.602	4	120.4903	0.487	19	120.4899	0.439	21	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5]){1|C<3>,1|N<3>,1|P<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]P[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	120.5710	0.000	1	120.5710	0.000	1	120.4899	0.439	21	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|B<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,2|F<1>,2|H<1>}	121.6360	0.303	5	121.6360	0.092	5	121.2591	0.583	67	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|Br<1>,1|B<4>,1|C<3>,1|H<1>,1|N<2>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,2|F<1>,2|H<1>}	121.2730	0.000	1	121.2730	0.000	1	121.2591	0.583	67	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|F<1>,2|H<1>}	121.3780	0.000	1	121.1847	0.029	3	121.2591	0.583	67	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,2|F<1>,2|H<1>}	121.1110	0.000	1	121.1847	0.029	3	121.2591	0.583	67	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	121.0650	0.000	1	121.1847	0.029	3	121.2591	0.583	67	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|Cl<1>,1|B<4>,1|C<3>,1|H<1>,1|N<2>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,2|F<1>,2|H<1>}	121.0750	0.000	1	121.0750	0.000	1	121.2591	0.583	67	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	121.1700	0.031	2	121.1700	0.001	2	121.2591	0.583	67	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|B<4>,1|C<3>,1|F<1>,1|H<1>,1|N<2>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,2|F<1>,2|H<1>}	121.5600	0.000	1	121.5600	0.000	1	121.2591	0.583	67	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|B<3>,1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|C<3>,1|S<2>,2|H<1>,2|N<3>}	120.9590	1.935	2	121.4392	0.408	40	121.2591	0.583	67	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|B<4>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,2|F<1>,2|H<1>}	121.0680	0.000	1	121.4392	0.408	40	121.2591	0.583	67	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|B<4>,1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|C<3>,1|S<2>,2|N<3>,3|H<1>}	121.3845	0.303	2	121.4392	0.408	40	121.2591	0.583	67	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|B<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	122.2420	0.000	1	121.4392	0.408	40	121.2591	0.583	67	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|B<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|N<3>,2|C<2>,2|C<3>,2|H<1>}	121.7560	0.000	1	121.4392	0.408	40	121.2591	0.583	67	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|B<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	121.4696	0.580	16	121.4392	0.408	40	121.2591	0.583	67	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|B<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,2|O<2>}	122.3890	0.000	1	121.4392	0.408	40	121.2591	0.583	67	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|B<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	122.0990	0.000	1	121.4392	0.408	40	121.2591	0.583	67	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|B<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|F<1>,2|H<1>}	121.3301	0.574	7	121.4392	0.408	40	121.2591	0.583	67	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|B<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	121.3127	0.554	8	121.4392	0.408	40	121.2591	0.583	67	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	120.6220	0.000	1	120.9870	0.227	10	121.2591	0.583	67	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	120.7920	0.041	2	120.9870	0.227	10	121.2591	0.583	67	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	120.7390	0.000	1	120.9870	0.227	10	121.2591	0.583	67	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	120.9040	0.000	1	120.9870	0.227	10	121.2591	0.583	67	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	120.4540	0.000	1	120.9870	0.227	10	121.2591	0.583	67	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	121.3005	0.603	2	120.9870	0.227	10	121.2591	0.583	67	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	121.9470	0.000	1	120.9870	0.227	10	121.2591	0.583	67	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	121.0190	0.000	1	120.9870	0.227	10	121.2591	0.583	67	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]O[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]O[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	119.2755	0.528	2	119.2755	0.279	2	121.2591	0.583	67	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|B<4>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,2|F<1>,2|H<1>}	122.0300	0.000	1	122.0300	0.000	1	121.2591	0.583	67	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	118.3600	0.000	1	118.3600	0.000	1	121.2591	0.583	67	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5]B[6]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|B<3>,1|C<3>,1|S<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5]B[6]C[5])(C[6a]C[6a]H){1|C<3>,1|S<1>,2|H<1>,2|N<3>}	122.5490	1.615	2	122.5277	1.306	3	122.2680	1.140	4	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5]B[6]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|B<4>,1|C<3>,1|S<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5]B[6]C[5])(C[6a]C[6a]H){1|C<3>,1|S<1>,2|N<3>,3|H<1>}	122.4850	0.000	1	122.5277	1.306	3	122.2680	1.140	4	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5]C[5a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	121.4890	0.000	1	121.4890	0.000	1	122.2680	1.140	4	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5])(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a,6a]H)(H){1|N<3>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5])(N[5]C[5]H){2|H<1>,4|C<3>}	121.8830	0.000	1	121.8830	0.000	1	122.2770	0.310	2	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5])(N[5]C[5]Zn)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Zn<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a,6a]H)(H){1|N<3>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5])(N[5]C[5]Zn){2|H<1>,4|C<3>}	122.6710	0.000	1	122.6710	0.000	1	122.2770	0.310	2	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]Si[5,5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]Si[5,5]){1|Br<1>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|Si<5>,1|C<3>,1|H<1>,1|N<3>}	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Br<1>,1|N<3>,3|C<3>,4|H<1>}	120.1880	0.000	1	120.0904	0.072	7	120.0904	0.072	7	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]Si[5,5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]Si[5,5]){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|Si<5>,1|C<3>,1|H<1>,1|N<3>}	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	119.8130	0.000	1	120.0904	0.072	7	120.0904	0.072	7	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]Si[5,5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]Si[5,5]){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|Si<5>,1|C<3>,1|H<1>,1|N<3>}	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|N<2>,1|N<3>,3|C<3>,4|H<1>}	119.9693	0.234	3	120.0904	0.072	7	120.0904	0.072	7	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]Si[5,5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]Si[5,5]){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|Si<5>,1|C<3>,1|H<1>,1|N<3>}	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,3|C<3>,4|H<1>}	120.3620	0.218	2	120.0904	0.072	7	120.0904	0.072	7	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[6a]C[6a]H)(S[5]C[5,5a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[6a]C[6a]H)(S[5]C[5,5a]){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](N[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	120.6370	0.690	2	120.5203	0.279	3	120.5203	0.279	3	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[6a]C[6a]H)(S[5]C[5,5a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[6a]C[6a]H)(S[5]C[5,5a]){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](N[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<2>}	120.2870	0.000	1	120.5203	0.279	3	120.5203	0.279	3	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H)	C[5,6a](N[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](N[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	122.0680	0.000	1	122.0680	0.000	1	121.9180	0.102	3	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]B[5,6]C[5,6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|B<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](N[5,6]B[5,6]C[5,6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	122.1350	0.000	1	122.1350	0.000	1	121.9180	0.102	3	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]C[5,6]Nb[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|Nb<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](N[5,6]C[5,6]Nb[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|C<3>,2|H<1>,5|O<2>}	121.5510	0.000	1	121.5510	0.000	1	121.9180	0.102	3	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]H)(S[5]C[5,6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]H)(S[5]C[5,6a]){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	122.2910	0.000	1	122.2910	0.000	1	122.2910	0.000	1	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5,6a]H)(Se[5]C[5,5])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]Se[5])(H)	C[5,6a](C[5,5]C[5,5]Si[5])(C[5,6a]C[6a]Se[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5,6a]H)(Se[5]C[5,5]){1|Si<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]Se[5])(H){1|Se<2>,1|Si<4>,4|C<3>}	C[5,6a](C[5,5]C[5,5]Si[5])(C[5,6a]C[6a]Se[5])(C[6a]C[5,6a]H){1|Se<2>,1|H<1>,2|C<4>,3|C<3>}	121.5490	0.526	2	121.5490	0.277	2	121.5490	0.277	2	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]H)(Se[5]C[5,6a])	C[6a](C[5,6a]C[5,6a]Se[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Se[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]H)(Se[5]C[5,6a]){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]Se[5])(C[5,6a]C[5,6a]2)(H){1|Se<2>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Se[5])(C[6a]C[5,6a]H){1|Se<2>,2|H<1>,3|C<3>}	122.2370	0.182	2	122.2370	0.033	2	122.2370	0.033	2	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(Se[5]C[5])	C[6a](C[5,6a]C[5,6a]Se[5])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[5,6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(Se[5]C[5]){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]Se[5])(C[5,6a]C[5,6a]C[5])(H){1|Se<2>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[5,6a]H)(C[5]C[5]H){1|Se<2>,1|H<1>,2|C<3>}	122.1565	0.011	2	122.1565	0.000	2	122.0962	0.025	5	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(Se[5]C[5])	C[6a](C[5,6a]C[5,6a]Se[5])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[5,6a]H)(C[5]C[5]S)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(Se[5]C[5]){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]Se[5])(C[5,6a]C[5,6a]C[5])(H){1|Se<2>,1|S<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[5,6a]H)(C[5]C[5]S){1|Se<2>,1|C<3>,2|H<1>}	122.0030	0.000	1	122.0030	0.000	1	122.0962	0.025	5	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(Se[5]C[5])	C[6a](C[5,6a]C[5,6a]Se[5])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[5,6a]H)(C[5]C[5]Se)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(Se[5]C[5]){1|Se<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]Se[5])(C[5,6a]C[5,6a]C[5])(H){2|Se<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[5,6a]H)(C[5]C[5]Se){1|Se<2>,1|C<3>,2|H<1>}	122.0825	0.288	2	122.0825	0.083	2	122.0962	0.025	5	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(Se[5]C[5,5])	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,5]C[5,5]Se[5])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(Se[5]C[5,5]){1|Se<2>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]2)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]Se[5])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.0340	0.000	1	120.0340	0.000	1	121.1898	0.777	5	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(Se[5]C[5,5])	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,5]C[5,5]Se[5])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(Se[5]C[5,5]){1|Se<2>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]Se[5])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.7715	0.999	2	121.7715	0.998	2	121.1898	0.777	5	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(Se[5]C[5,5])	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]Se[5])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(Se[5]C[5,5]){1|Se<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]Se[5])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.1860	0.310	2	121.1860	0.096	2	121.1898	0.777	5	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(Se[5]C[5,6])	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]Se[6])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(Se[5]C[5,6]){1|Se<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]Se[6])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H){1|Se<2>,2|C<3>,2|H<1>}	121.7835	0.218	2	121.7835	0.048	2	121.7835	0.048	2	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(Se[5]C[5,5])	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(Se[5]C[5,5]){1|Se<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|Se<2>,2|H<1>,3|C<3>}	122.4870	0.552	2	122.4870	0.304	2	120.4488	3.554	5	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(Se[5]N[5,5])	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[5,5]N[5,5]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(Se[5]N[5,5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[5,5]N[5,5]O[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	119.0900	0.177	3	119.0900	0.031	3	120.4488	3.554	5	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5,5]-3:	C[5,6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(Se[5]C[5,5])	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[6a]Se[5])(C[5,5]C[5,5]2)	C[5,6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(Se[5]C[5,5]){1|Se<2>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[5,6a]H)(H){1|Se<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[6a]Se[5])(C[5,5]C[5,5]2){2|Se<2>,1|H<1>,5|C<3>}	123.0030	0.240	2	123.0030	0.058	2	123.0030	0.058	2	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Se[5]C[5])	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]Se[5])(C[5]C[5]H)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Se[5]C[5]){1|Si<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[5,6a]H)(H){1|Se<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]Se[5])(C[5]C[5]H){1|Se<2>,1|Si<4>,2|C<3>,2|H<1>}	123.3970	0.223	2	123.3970	0.050	2	123.3970	0.050	2	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]C[5])	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]C[5]){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]Cl)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]C[5]C){2|C<3>,2|H<1>}	121.9170	0.000	1	121.9170	0.000	1	120.9144	0.659	26	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]C[5])	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]C[5]H){2|C<3>,2|H<1>}	121.7210	0.000	1	121.7210	0.000	1	120.9144	0.659	26	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]C[5])	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]C[5]Pt)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]C[5]){1|Pt<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]C[5]Pt){2|C<3>,2|H<1>}	121.6813	0.054	3	121.6813	0.003	3	120.9144	0.659	26	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5])	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5]){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<1>}	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]F)(H){1|F<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|F<1>,1|H<1>}	122.0525	0.042	2	122.0525	0.002	2	120.9144	0.659	26	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5])	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5]){1|C<3>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<3>,1|O<1>,2|H<1>}	121.3440	0.000	1	120.0247	1.312	3	120.9144	0.659	26	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5])	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5]){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]H){2|C<3>,2|H<1>}	119.3650	0.112	2	120.0247	1.312	3	120.9144	0.659	26	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5])	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,2|H<1>}	120.2827	0.391	6	120.6821	0.307	16	120.9144	0.659	26	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5])	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H){2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	120.9823	0.555	3	120.6821	0.307	16	120.9144	0.659	26	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5])	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5]){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O){2|C<3>,2|H<1>}	120.8959	0.528	7	120.6821	0.307	16	120.9144	0.659	26	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5,6])	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5,6]){1|Se<2>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|Se<2>,2|C<3>,2|H<1>}	121.7990	0.000	1	121.7990	0.000	1	121.0976	0.254	16	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5])	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5]){1|C<2>,1|C<3>,1|S<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|S<1>,2|H<1>}	120.6810	0.000	1	121.0509	0.234	15	121.0976	0.254	16	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5])	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|H<1>}	121.0498	0.416	12	121.0509	0.234	15	121.0976	0.254	16	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5])	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,1|O<2>,2|C<3>}	122.0070	0.000	1	121.0509	0.234	15	121.0976	0.254	16	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5])	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5]){1|S<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|S<1>,2|H<1>}	120.4780	0.000	1	121.0509	0.234	15	121.0976	0.254	16	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[6a]-3:I-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]I)(Se[5]C[5])	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]O)(I)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]I)(Se[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]O)(I){1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|H<1>,1|I<1>,1|O<2>}	119.7290	0.000	1	119.7290	0.000	1	119.7290	0.000	1	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(Se[5]C[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]Se[5])(H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[5a,6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(Se[5]C[5]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]Se[5])(H){1|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[5a,6a]H)(C[5]C[5]H){1|C<4>,1|H<1>,2|C<3>}	122.5735	0.298	2	122.5735	0.089	2	122.5735	0.089	2	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(Se[5]N[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]Se[5])(H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a,6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(Se[5]N[5]){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]Se[5])(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a,6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,2|C<3>}	120.8490	0.000	1	120.8490	0.000	1	120.8490	0.000	1	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[6a]-3:C[5,6a]-3:C[5,5]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a,6a]H)(Se[5]N[5,5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]Se[5])(H)	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]Se[5])(C[5,5]N[5,5]O[5])	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a,6a]H)(Se[5]N[5,5]){1|C<4>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]Se[5])(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]Se[5])(C[5,5]N[5,5]O[5]){1|H<1>,2|C<4>,4|C<3>}	121.8350	0.000	1	121.8350	0.000	1	121.8350	0.000	1	121.7338	2.190	1228	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:I[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(I[5]N[5])	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(S[5]N[5]CO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(I[5]N[5]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|S<4>}	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(S[5]N[5]CO){1|C<3>,2|H<1>}	120.8310	0.000	1	120.8310	0.000	1	120.8310	0.000	1	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){1|Br<1>,1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|Br<1>,1|C<3>,1|C<4>}	120.2840	0.000	1	120.2840	0.000	1	120.2840	0.000	1	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Cl<1>,1|H<1>,2|C<3>}	119.5170	0.000	1	119.5170	0.000	1	119.5170	0.000	1	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){2|Cl<1>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CH){1|C<3>,1|O<1>,2|H<1>}	123.1590	0.000	1	123.1590	0.000	1	121.7035	0.259	33	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,1|O<1>,2|H<1>}	121.9290	0.000	1	121.9290	0.000	1	121.7035	0.259	33	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	122.6430	0.000	1	122.7415	0.019	2	121.7035	0.259	33	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|C<4>,3|C<3>,3|H<1>}	122.8400	0.000	1	122.7415	0.019	2	121.7035	0.259	33	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,2|H<1>}	121.3759	0.151	8	121.5429	0.106	20	121.7035	0.259	33	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,1|H<1>,2|C<3>}	121.9060	0.716	2	121.5429	0.106	20	121.7035	0.259	33	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,2|H<1>}	121.8150	0.000	1	121.5429	0.106	20	121.7035	0.259	33	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,2|H<1>}	121.5804	0.310	9	121.5429	0.106	20	121.7035	0.259	33	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|N<3>,2|H<1>}	121.4075	0.336	2	121.4075	0.113	2	121.7035	0.259	33	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|N<3>,2|H<1>}	121.3365	0.241	2	121.4550	0.071	3	121.7035	0.259	33	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){2|C<3>,2|H<1>}	121.6920	0.000	1	121.4550	0.071	3	121.7035	0.259	33	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CS)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,2|H<1>,2|S<2>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CS){1|C<3>,1|S<2>,2|H<1>}	121.6950	0.000	1	121.6950	0.000	1	121.7035	0.259	33	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|O<1>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	121.4680	0.000	1	121.4680	0.000	1	121.7035	0.259	33	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]NP)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|N<3>,1|O<1>,1|P<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]NP){1|C<3>,1|O<1>,2|H<1>}	121.8900	0.000	1	121.8900	0.000	1	121.7035	0.259	33	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){2|C<3>,2|H<1>}	122.5530	0.000	1	122.5530	0.000	1	121.7035	0.259	33	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5]CS)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]){1|H<1>,1|S<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5]CS){2|C<3>,2|H<1>}	121.0340	0.000	1	121.0340	0.000	1	121.0340	0.000	1	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a,6a]H)(H){1|C<4>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]CC){2|H<1>,4|C<3>}	122.7740	0.000	1	122.7740	0.000	1	122.7740	0.000	1	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(N[5]C[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(N[5]C[5]){1|Si<4>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(C[5]C[5]CO){1|Si<4>,1|H<1>,2|C<3>}	121.8345	0.234	2	121.8345	0.055	2	121.8345	0.055	2	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]C)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]C)(C[5]C[5]HH){1|C<3>,1|O<2>,3|H<1>}	123.2040	0.000	1	123.2040	0.000	1	123.8452	0.502	9	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]HH){1|C<3>,1|O<2>,3|H<1>}	122.9090	0.000	1	122.9090	0.000	1	123.8452	0.502	9	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])2(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])2(H){1|C<3>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]CH){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	123.4910	0.701	2	123.5213	0.249	3	123.8452	0.502	9	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])2(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])2(H){1|C<3>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]CH){1|O<2>,2|C<3>,2|H<1>}	123.5820	0.000	1	123.5213	0.249	3	123.8452	0.502	9	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])2(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]CN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])2(H){1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]CN){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	124.4825	0.310	4	124.4825	0.096	4	123.8452	0.502	9	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:Si[5]-4:	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]Si[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(Si[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|Si<4>,1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[5,6a]C[5,6a]O[5])(H){1|Si<4>,1|C<3>,1|O<2>,4|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(Si[5]C[5]CC){1|C<3>,1|O<2>,3|H<1>}	122.0010	0.000	1	122.0010	0.000	1	122.0010	0.000	1	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O[6a])(Br)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]O[6a]O)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O[6a])(Br){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]O[6a]O)(C[5]C[5]HH){1|Br<1>,1|C<3>,2|H<1>}	122.9832	0.593	6	122.9832	0.352	6	122.9832	0.352	6	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:Br-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]Br)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(Br)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]Br)(O[5]C[5]){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(Br){2|C<3>,2|C<4>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H){1|Br<1>,1|N<3>,2|H<1>,5|C<3>}	122.9520	0.188	4	122.9520	0.035	4	122.9520	0.035	4	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(O[5]C[5]){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HN){2|Cl<1>,1|H<1>,2|C<3>}	121.2750	0.000	1	121.2750	0.000	1	121.2750	0.000	1	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]O[5])(C[5]C[5]CH)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6a]H)(H){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]O[5])(C[5]C[5]CH){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	123.5190	0.000	1	124.3475	1.373	2	123.7620	1.715	3	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]O[5])(C[5]C[5]CH)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6a]H)(H){1|C<3>,1|N<2>,2|C<4>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]O[5])(C[5]C[5]CH){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	125.1760	0.000	1	124.3475	1.373	2	123.7620	1.715	3	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]O[5])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6a]H)(H){1|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]O[5])(C[5]C[5]HH){1|C<3>,3|C<4>,4|H<1>}	122.5910	0.000	1	122.5910	0.000	1	123.7620	1.715	3	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|Br<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Br)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|O<2>,2|C<3>,2|H<1>}	122.3150	0.000	1	122.3150	0.000	1	123.0455	0.598	91	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|C<3>,3|H<1>}	122.7630	0.000	1	122.7630	0.000	1	123.0455	0.598	91	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6]C[6a])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6]C[6a])(C[5]C[5]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	122.6230	0.000	1	122.6230	0.000	1	123.0455	0.598	91	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CC){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	122.7080	0.000	1	122.9207	0.176	4	123.0455	0.598	91	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CC){1|C<3>,4|H<1>}	122.7870	0.467	2	122.9207	0.176	4	123.0455	0.598	91	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CC){2|C<3>,3|H<1>}	123.4010	0.000	1	122.9207	0.176	4	123.0455	0.598	91	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<3>,4|H<1>}	123.9080	0.000	1	123.2677	0.506	3	123.0455	0.598	91	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<3>,1|C<4>,3|H<1>}	122.9475	0.630	2	123.2677	0.506	3	123.0455	0.598	91	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,1|C<4>,3|H<1>}	123.0080	0.000	1	123.0080	0.000	1	123.0455	0.598	91	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(C[5]C[5]HN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|Cl<1>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(C[5]C[5]HN){2|H<1>,3|C<3>}	123.1265	0.456	2	123.1265	0.208	2	123.0455	0.598	91	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|Cl<1>,2|H<1>,2|N<3>,3|C<3>}	123.4685	0.664	2	122.8803	0.405	6	123.0455	0.598	91	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,3|C<3>,4|H<1>}	122.3893	0.204	3	122.8803	0.405	6	123.0455	0.598	91	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|Cl<1>,1|C<3>,1|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|Cl<1>,1|O<2>,3|C<3>,3|H<1>}	123.1770	0.000	1	122.8803	0.405	6	123.0455	0.598	91	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|O<1>,2|H<1>}	123.9694	0.474	5	123.5659	0.340	17	123.0455	0.598	91	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	123.9320	0.000	1	123.5659	0.340	17	123.0455	0.598	91	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>}	123.6860	0.246	4	123.5659	0.340	17	123.0455	0.598	91	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,4|H<1>}	122.8830	0.000	1	123.5659	0.340	17	123.0455	0.598	91	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,3|H<1>}	121.9830	0.000	1	123.5659	0.340	17	123.0455	0.598	91	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,3|H<1>}	123.4070	0.000	1	123.5659	0.340	17	123.0455	0.598	91	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|O<1>,2|H<1>}	123.3720	0.339	3	123.5659	0.340	17	123.0455	0.598	91	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|H<1>,3|C<3>}	123.7080	0.000	1	123.5659	0.340	17	123.0455	0.598	91	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<2>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,2|C<3>,2|H<1>}	121.8950	0.000	1	123.1243	0.630	17	123.0455	0.598	91	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|O<1>,2|H<1>}	123.8190	0.000	1	123.1243	0.630	17	123.0455	0.598	91	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,4|H<1>}	122.5637	0.277	3	123.1243	0.630	17	123.0455	0.598	91	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|C<3>,2|H<1>}	124.5785	0.088	2	123.1243	0.630	17	123.0455	0.598	91	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|C<3>,3|H<1>}	123.1887	0.512	4	123.1243	0.630	17	123.0455	0.598	91	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|H<1>,3|C<3>}	123.3623	0.151	3	123.1243	0.630	17	123.0455	0.598	91	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|Br<1>,2|C<3>,2|H<1>}	122.3780	0.768	2	123.1243	0.630	17	123.0455	0.598	91	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,2|C<3>,2|H<1>}	122.9530	0.000	1	123.1243	0.630	17	123.0455	0.598	91	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CO){2|C<3>,3|H<1>}	122.1450	0.000	1	122.1450	0.000	1	123.0455	0.598	91	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CS)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CS){1|C<3>,1|O<1>,2|H<1>}	123.8230	0.000	2	123.8230	0.000	2	123.0455	0.598	91	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	122.1370	0.000	1	122.6232	0.169	15	123.0455	0.598	91	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	122.5230	0.000	1	122.6232	0.169	15	123.0455	0.598	91	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,3|H<1>}	122.5270	0.000	1	122.6232	0.169	15	123.0455	0.598	91	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	122.8140	0.000	1	122.6232	0.169	15	123.0455	0.598	91	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<1>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	123.7460	0.000	1	122.6232	0.169	15	123.0455	0.598	91	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|S<4>,3|H<1>}	122.8440	0.000	1	122.6232	0.169	15	123.0455	0.598	91	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,3|H<1>}	122.5318	0.203	5	122.6232	0.169	15	123.0455	0.598	91	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,3|H<1>}	122.5397	0.506	3	122.6232	0.169	15	123.0455	0.598	91	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	122.4790	0.000	1	122.6232	0.169	15	123.0455	0.598	91	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|Br<1>,2|C<3>,2|H<1>}	121.8803	0.432	4	122.2261	0.261	8	123.0455	0.598	91	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HN){2|C<3>,3|H<1>}	122.3040	0.000	1	122.2261	0.261	8	123.0455	0.598	91	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<4>,2|C<3>,2|H<1>}	122.3310	0.000	1	122.2261	0.261	8	123.0455	0.598	91	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|Br<1>,1|H<1>,3|C<3>}	122.6700	0.000	1	122.2261	0.261	8	123.0455	0.598	91	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HN){2|H<1>,3|C<3>}	122.9830	0.000	1	122.2261	0.261	8	123.0455	0.598	91	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,2|C<4>,2|H<1>}	122.0160	0.000	1	122.9290	0.292	7	123.0455	0.598	91	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,2|C<4>,2|H<1>}	123.2150	0.000	1	122.9290	0.292	7	123.0455	0.598	91	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<2>,5|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,4|H<1>}	123.6040	0.000	1	122.9290	0.292	7	123.0455	0.598	91	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<4>,2|C<3>,2|H<1>}	122.8375	0.559	2	122.9290	0.292	7	123.0455	0.598	91	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|Br<1>,1|H<1>,2|C<3>}	123.1370	0.000	1	122.9290	0.292	7	123.0455	0.598	91	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO){2|C<3>,3|H<1>}	122.8560	0.000	1	122.9290	0.292	7	123.0455	0.598	91	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(C[5]C[5]HH){2|C<3>,3|H<1>}	122.9860	0.000	1	122.9860	0.000	1	123.0455	0.598	91	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CN){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	125.4620	0.895	2	125.4620	0.801	2	123.0455	0.598	91	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,2|C<3>,2|H<1>}	123.2180	0.000	1	123.1570	0.007	2	123.0455	0.598	91	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|O<2>,2|C<3>,2|H<1>}	123.0960	0.000	1	123.1570	0.007	2	123.0455	0.598	91	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(P[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(P[5]C[5]CO){1|C<3>,4|H<1>}	122.1550	0.000	1	122.1550	0.000	1	122.1047	0.231	4	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(P[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|P<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(P[5]C[5]CO){2|H<1>,3|C<3>}	121.7565	0.177	2	121.7565	0.032	2	122.1047	0.231	4	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(P[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|P<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(P[5]C[5]CO){2|C<3>,3|H<1>}	122.7510	0.000	1	122.7510	0.000	1	122.1047	0.231	4	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5a,6a]H)(H)	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[6a]O[5])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5a,6a]H)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[6a]O[5])(C[5]C[5]HH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	123.1310	0.000	1	123.1310	0.000	1	123.1310	0.000	1	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6,6a]C)(H)	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6,6a]C)(H){2|C<3>,2|C<4>}	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(C[5]C[5]CH){3|C<3>,4|H<1>}	123.1320	0.776	2	123.1320	0.603	2	123.6073	0.414	6	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6,6a]H)(H)	C[5,6a](C[6,6a]C[6,6a]O[6])(C[5,6a]C[6a]O[5])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6,6a]H)(H){2|C<3>,2|C<4>}	C[5,6a](C[6,6a]C[6,6a]O[6])(C[5,6a]C[6a]O[5])(C[5]C[5]HH){1|C<4>,2|H<1>,3|C<3>}	123.6480	0.403	3	123.6480	0.162	3	123.6073	0.414	6	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6,6a]Pd)(H)	C[5,6a](C[6,6a]C[6,6a]O[6])(C[5,6a]C[6a]O[5])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|Pd<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6,6a]Pd)(H){2|C<3>,2|C<4>}	C[5,6a](C[6,6a]C[6,6a]O[6])(C[5,6a]C[6a]O[5])(C[5]C[5]HH){1|C<4>,2|H<1>,3|C<3>}	124.4360	0.000	1	124.4360	0.000	1	123.6073	0.414	6	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5,5]C[5]3)	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(H){1|C<4>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5,5]C[5]3){2|C<4>,2|O<1>,3|C<3>,4|H<1>}	125.2420	0.000	2	124.8970	0.159	4	124.8970	0.159	4	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5,5]C[5]3)	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(H){1|C<4>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5,5]C[5]3){2|O<1>,4|H<1>,5|C<3>}	124.5520	0.000	2	124.8970	0.159	4	124.8970	0.159	4	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(H){2|C<3>,2|C<4>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5,6]HH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	122.9790	0.000	1	122.9790	0.000	1	123.8079	0.863	19	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]C)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]C)(H){2|C<3>,2|C<4>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]CC){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	123.5100	0.284	2	123.5100	0.081	2	123.8079	0.863	19	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]C[6a])(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]C[6a])(H){2|C<4>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]HH){3|H<1>,4|C<3>}	121.6300	0.000	1	121.6300	0.000	1	123.8079	0.863	19	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(H){2|C<3>,2|C<4>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]CH){1|N<3>,3|C<3>,3|H<1>}	124.9310	0.000	1	124.9310	0.000	1	123.8079	0.863	19	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(H){2|C<3>,2|C<4>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]HH){3|H<1>,4|C<3>}	123.0380	0.000	1	123.0380	0.000	1	123.8079	0.863	19	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(H){2|C<3>,2|C<4>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H){1|N<3>,3|H<1>,5|C<3>}	124.0597	0.333	8	123.9320	0.161	10	123.8079	0.863	19	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(H){2|C<3>,2|C<4>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H){3|H<1>,6|C<3>}	123.4210	0.147	2	123.9320	0.161	10	123.8079	0.863	19	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]O[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(H){2|C<3>,2|C<4>}	C[5,6a](C[6a,6a]C[6a,6a]O[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]HH){1|C<4>,2|H<1>,3|C<3>}	122.6460	0.000	1	122.6460	0.000	1	123.8079	0.863	19	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]O)(H)	C[5,6a](C[6a,6a]C[6a,6a]O[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]O)(H){2|C<3>,2|C<4>}	C[5,6a](C[6a,6a]C[6a,6a]O[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]CC){1|C<4>,2|H<1>,3|C<3>}	125.3935	0.070	2	125.3935	0.005	2	123.8079	0.863	19	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(O[5]C[5])	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[5,6a]C[5,6a]O[5])(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	124.2850	1.162	2	124.2850	1.351	2	124.2850	1.351	2	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	121.7100	0.000	1	121.7100	0.000	1	121.6991	0.252	9	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|O<1>,2|H<1>}	121.9117	0.136	3	121.9117	0.019	3	121.6991	0.252	9	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<4>,2|C<3>,2|H<1>}	120.6250	0.000	1	120.6250	0.000	1	121.6991	0.252	9	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,2|H<1>}	121.3270	0.000	1	121.6740	0.218	3	121.6991	0.252	9	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<2>,1|C<3>,3|H<1>}	121.4900	0.000	1	121.6740	0.218	3	121.6991	0.252	9	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]){2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,3|H<1>}	122.2050	0.000	1	121.6740	0.218	3	121.6991	0.252	9	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|S<4>,2|H<1>}	122.2000	0.000	1	122.2000	0.000	1	121.6991	0.252	9	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]C[5])	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]C[5]){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	121.5980	0.000	1	121.5980	0.000	1	121.5980	0.000	1	122.8405	1.199	201	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:N[6a]-2:	C[5,6a](C[5,6a]N[6a]P[5])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(P[5]C[6a]C[5]Rh)(N[6a]C[6a])	C[5,6a](C[5,6a]N[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]){1|Rh<6>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|P<4>}	C[5,6a](C[5,6a]C[6a]N[5])(P[5]C[6a]C[5]Rh)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	118.6940	0.000	1	118.6940	0.000	1	118.6940	0.000	1	118.6940	0.000	1	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(N[5]N[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(N[5]N[5]){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H){2|H<1>,6|C<3>}	123.9520	0.000	1	123.9520	0.000	1	123.9520	0.000	1	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	122.2880	0.000	1	122.6497	0.100	3	122.0357	0.203	20	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	122.8305	0.066	2	122.6497	0.100	3	122.0357	0.203	20	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<2>}	122.0350	0.000	1	121.8077	0.039	3	122.0357	0.203	20	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	121.6940	0.000	2	121.8077	0.039	3	122.0357	0.203	20	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	121.9030	0.281	2	121.9101	0.155	13	122.0357	0.203	20	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){2|C<4>,3|C<3>,5|H<1>}	121.4020	0.000	1	121.9101	0.155	13	122.0357	0.203	20	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>,5|H<1>}	121.0530	0.000	1	121.9101	0.155	13	122.0357	0.203	20	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	122.1225	0.012	2	121.9101	0.155	13	122.0357	0.203	20	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,3|C<3>,3|C<4>,3|H<1>}	121.7890	0.105	2	121.9101	0.155	13	122.0357	0.203	20	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){4|C<3>,5|H<1>}	122.3890	0.202	2	121.9101	0.155	13	122.0357	0.203	20	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	122.1660	0.000	1	121.9101	0.155	13	122.0357	0.203	20	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	121.9015	0.306	2	121.9101	0.155	13	122.0357	0.203	20	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	122.5110	0.000	1	122.5110	0.000	1	122.0357	0.203	20	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,3|C<3>,6|H<1>}	122.2320	0.000	1	121.9990	0.109	2	121.9990	0.109	2	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){2|C<3>,2|C<4>,6|H<1>}	121.7660	0.000	1	121.9990	0.109	2	121.9990	0.109	2	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[3]C[5]H)(C[6a]C[6a]Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[3]C[5]H)(C[6a]C[6a]Cl){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	123.1940	0.000	1	123.1940	0.000	1	122.2785	0.970	6	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]ClC)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|Cl<1>,1|C<3>,1|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]ClC)(C[6a]C[6a]C){1|C<3>,1|C<4>,2|H<1>}	121.9430	0.000	1	121.9430	0.000	1	122.2785	0.970	6	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	122.7620	0.000	1	122.7620	0.000	1	122.2785	0.970	6	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	123.2060	0.000	1	122.5650	0.822	2	122.2785	0.970	6	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	121.9240	0.000	1	122.5650	0.822	2	122.2785	0.970	6	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<3>,3|C<3>}	120.6420	0.000	1	120.6420	0.000	1	122.2785	0.970	6	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])2(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])2(H){1|C<3>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[5,6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	124.9740	0.000	1	124.9740	0.000	1	124.9740	0.000	1	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[4,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(O[5]C[4,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[4,5]C[4,5]2H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(O[5]C[4,5]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[4,5]C[4,5]2H)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	121.9430	0.000	1	122.3130	0.274	2	122.3130	0.274	2	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[4,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(O[5]C[4,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[4,5]C[4,5]2H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(O[5]C[4,5]){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[4,5]C[4,5]2H)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	122.6830	0.000	1	122.3130	0.274	2	122.3130	0.274	2	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,5|H<1>}	125.2200	0.000	1	124.0360	1.055	3	124.0360	1.055	3	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,4|C<3>,5|H<1>}	123.3830	0.000	1	124.0360	1.055	3	124.0360	1.055	3	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	123.5050	0.000	1	124.0360	1.055	3	124.0360	1.055	3	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]C){1|C<3>,2|C<4>,8|H<1>}	123.4050	0.000	1	123.4050	0.000	1	123.9976	0.816	7	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	124.4903	0.347	4	124.0963	0.897	6	123.9976	0.816	7	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	123.3085	1.504	2	124.0963	0.897	6	123.9976	0.816	7	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]BrH)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|Br<1>,1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){1|Cl<1>,1|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]BrH)(C[6a]C[6a]C){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	123.0150	0.000	1	123.0150	0.000	1	123.1586	0.920	73	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){1|Cl<1>,1|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	122.6760	0.000	1	122.6760	0.000	1	123.1586	0.920	73	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	122.4280	0.246	2	122.4280	0.061	2	123.1586	0.920	73	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]BrH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|Br<1>,1|C<3>,1|C<4>,1|F<1>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]F)(H){1|C<3>,1|F<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]BrH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|N<3>}	123.3510	0.000	1	123.3510	0.000	1	123.1586	0.920	73	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]BrH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]BrH)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	123.7070	0.000	1	122.4080	1.042	4	123.1586	0.920	73	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]BrH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]BrH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	122.7340	0.000	1	122.4080	1.042	4	123.1586	0.920	73	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]BrH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]BrH)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	121.5955	0.112	2	122.4080	1.042	4	123.1586	0.920	73	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]CH)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]CH)(C[6a]C[6a]C){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	123.1650	0.000	1	123.1650	0.000	1	123.1586	0.920	73	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]CH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	122.9280	0.000	1	122.8057	0.023	6	123.1586	0.920	73	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]CH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<2>,2|C<3>}	122.9340	0.000	1	122.8057	0.023	6	123.1586	0.920	73	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]CH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.7430	0.151	4	122.8057	0.023	6	123.1586	0.920	73	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	122.3175	0.074	2	122.3175	0.006	2	123.1586	0.920	73	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	122.3980	0.000	1	122.3980	0.000	1	123.1586	0.920	73	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]HN)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]HN)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	123.1720	0.000	1	123.1720	0.000	1	123.1586	0.920	73	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]HO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]HO)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	123.4970	0.000	1	123.4970	0.000	1	123.1586	0.920	73	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]O){1|H<1>,2|C<3>,2|C<4>}	123.6450	0.000	1	123.6450	0.000	1	123.1586	0.920	73	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	123.5675	0.011	2	123.4290	3.582	8	123.1586	0.920	73	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	122.4870	0.075	2	123.4290	3.582	8	123.1586	0.920	73	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	122.3500	0.000	1	123.4290	3.582	8	123.1586	0.920	73	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6]){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	125.2785	3.771	2	123.4290	3.582	8	123.1586	0.920	73	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6]){3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	122.4160	0.000	1	123.4290	3.582	8	123.1586	0.920	73	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HO)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	122.6690	0.534	7	122.6690	0.285	7	123.1586	0.920	73	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O[6a])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HO)(C[6a]O[6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O[6a])(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HO)(C[6a]O[6a]O){1|C<4>,1|H<1>,2|C<3>}	122.3520	0.000	1	122.3520	0.000	1	123.1586	0.920	73	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	124.3920	0.000	1	124.3920	0.000	1	123.1586	0.920	73	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	122.8813	0.607	3	122.8813	0.368	3	123.1586	0.920	73	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]C){1|S<2>,2|H<1>,3|C<3>}	124.0810	0.000	1	124.0810	0.000	1	123.1586	0.920	73	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	123.7560	0.000	1	123.6713	0.055	3	123.1586	0.920	73	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	123.6290	0.314	2	123.6713	0.055	3	123.1586	0.920	73	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	123.8740	0.000	1	123.4393	0.721	4	123.1586	0.920	73	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	123.8575	0.090	2	123.4393	0.721	4	123.1586	0.920	73	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	122.1680	0.000	1	123.4393	0.721	4	123.1586	0.920	73	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	122.8980	0.000	1	123.0936	0.377	8	123.1586	0.920	73	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	124.3630	0.000	1	123.0936	0.377	8	123.1586	0.920	73	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	123.2275	0.517	2	123.0936	0.377	8	123.1586	0.920	73	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|Br<1>,2|H<1>,4|C<3>}	122.5250	0.000	1	123.0936	0.377	8	123.1586	0.920	73	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){3|H<1>,4|C<3>}	122.8840	0.392	2	123.0936	0.377	8	123.1586	0.920	73	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	122.7400	0.000	1	123.0936	0.377	8	123.1586	0.920	73	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H){1|F<1>,1|H<1>,1|O<1>,3|C<3>}	123.7730	0.000	1	122.8892	0.912	5	123.1586	0.920	73	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	122.6683	0.944	4	122.8892	0.912	5	123.1586	0.920	73	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	123.8620	0.000	1	123.8620	0.000	1	123.1586	0.920	73	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]S)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]S)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	123.9320	0.000	1	123.9320	0.000	1	123.1586	0.920	73	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]2C[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]2C[5])(C[6a]C[6a]C){1|O<1>,2|H<1>,5|C<3>}	123.9390	0.000	1	123.9390	0.000	1	123.1586	0.920	73	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	124.7750	0.000	1	124.7750	0.000	1	123.1586	0.920	73	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C){3|H<1>,4|C<3>}	123.9700	1.065	4	123.9700	1.135	4	123.1586	0.920	73	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	124.8200	0.000	1	124.8200	0.000	1	123.1586	0.920	73	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]N[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]N[5]){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]2N[5])(C[6a]C[6a]H){2|H<1>,6|C<3>}	122.9450	0.000	1	122.9450	0.000	1	123.1586	0.920	73	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(P[5]C[5]CuC)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(O[5]C[5]){1|Cu<4>,1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|P<4>}	C[5,6a](C[5,6a]C[6a]O[5])(P[5]C[5]CuC)(C[6a]C[6a]2){3|C<3>,4|H<1>}	122.6163	0.323	4	122.6163	0.105	4	122.2279	0.953	7	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(P[5]C[5]PdC)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(O[5]C[5]){1|Pd<4>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|P<4>}	C[5,6a](C[5,6a]C[6a]O[5])(P[5]C[5]PdC)(C[6a]C[6a]2){1|C<4>,3|C<3>,3|H<1>}	123.2780	0.000	1	123.2780	0.000	1	122.2279	0.953	7	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(P[5]C[5]RhC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(O[5]C[5]){1|Rh<5>,1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|P<4>}	C[5,6a](C[5,6a]C[6a]O[5])(P[5]C[5]RhC)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	120.9260	0.553	2	120.9260	0.306	2	122.2279	0.953	7	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,5]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a]C[6a]H)(O[5]C[3x5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5]C[3x5]C[5]H)(C[5,6a]C[6a]O[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a]C[6a]H)(O[5]C[3x5]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(H){2|C<3>,2|C<4>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5]C[3x5]C[5]H)(C[5,6a]C[6a]O[5]){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	123.2870	0.000	1	123.2870	0.000	1	123.7206	0.619	9	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,5]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a]C[6a]H)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]O[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a]C[6a]H)(O[5]C[5,5]){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(H){2|C<3>,2|C<4>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]O[5]){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	124.1070	0.450	4	124.1070	0.203	4	123.7206	0.619	9	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,5]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a]C[6a]H)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5]){1|C<4>,2|C<3>,2|O<2>,5|H<1>}	122.6110	0.000	1	122.6110	0.000	1	123.7206	0.619	9	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,5]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a]C[6a]H)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5]C[5,5]N[5,5]H)(C[5,6a]C[6a]O[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a]C[6a]H)(O[5]C[5,5]){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(H){2|C<3>,2|C<4>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5]C[5,5]N[5,5]H)(C[5,6a]C[6a]O[5]){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	122.4780	0.000	1	122.4780	0.000	1	123.7206	0.619	9	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,5]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]O[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a]C[6a]H)(O[5]C[5]){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(H){1|C<4>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]O[5]){1|O<1>,3|H<1>,6|C<3>}	124.3405	0.129	2	124.3405	0.017	2	123.7206	0.619	9	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)(O[5]C[5,6]){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(H){2|C<3>,2|C<4>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5]){2|C<4>,3|C<3>,5|H<1>}	123.4320	0.000	1	123.4320	0.000	1	123.4320	0.000	1	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[5,5]C[5,5]2H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5,5]C[5,5]2H)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	121.0310	0.000	1	121.0310	0.000	1	121.0310	0.000	1	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5,6])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5,6]){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	121.0020	0.000	1	121.0020	0.000	1	121.4490	0.400	2	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]){1|S<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>}	121.8960	0.000	1	121.8960	0.000	1	121.4490	0.400	2	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(P[5]C[6a]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|P<4>}	C[5,6a](C[5,6a]C[6a]S[5])(P[5]C[6a]2C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	119.7840	0.000	1	119.7840	0.000	1	119.7840	0.000	1	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(Si[5]C[5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(S[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(Si[5]C[5]CC)(C[6a]C[6a]H){2|C<3>,3|H<1>}	121.6360	0.000	1	121.6360	0.000	1	121.6360	0.000	1	122.9231	1.206	137	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[5,6a]H)(N[5]C[5,6])	C[6a](C[5,6a]C[5,6a]N[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[5,6a]H)(N[5]C[5,6]){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[5,6a]C[5,6a]O[5])(H){2|C<3>,3|C<4>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	122.8830	0.000	1	122.8830	0.000	1	122.8830	0.000	1	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(N[5]C[5,6])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6]C[5,6]C[5a]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(N[5]C[5,6]){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(Cl){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6]C[5,6]C[5a]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	120.7810	0.000	1	120.7810	0.000	1	120.7810	0.000	1	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	B[5,5a]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]B[5,5a]C[6a])(C[6a]C[6a]H)(N[5]N[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](B[5,5a]O[5a]2N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]B[5,5a]C[6a])(C[6a]C[6a]H)(N[5]N[5]){2|C<3>,2|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>}	C[5,6a](B[5,5a]O[5a]2N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,4|C<3>}	124.3395	1.109	2	124.3395	1.231	2	124.3395	1.231	2	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5,6]C[3,6]C[5,6]C[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[3,5,6]C[3,6]C[5,6]C[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	121.2120	0.000	1	121.2120	0.000	1	121.2120	0.000	1	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>}	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<2>,5|C<3>}	121.7940	0.000	1	121.3690	0.361	2	121.3690	0.361	2	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>}	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	120.9440	0.000	1	121.3690	0.361	2	121.3690	0.361	2	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,3x6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,3x6]C[4x6]C[5,6]C[6,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,3x6]C[4x6]C[5,6]C[6,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	121.7350	0.000	1	121.7350	0.000	1	121.7350	0.000	1	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	121.6920	0.000	1	121.9370	0.120	2	121.2250	0.598	5	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|Cl<1>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	122.1820	0.000	1	121.9370	0.120	2	121.2250	0.598	5	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	121.2550	0.000	1	120.7185	0.576	2	121.2250	0.598	5	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	120.1820	0.000	1	120.7185	0.576	2	121.2250	0.598	5	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	120.8140	0.000	1	120.8140	0.000	1	121.2250	0.598	5	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	121.5160	0.130	2	121.5160	0.017	2	121.9658	1.664	6	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	122.8760	0.000	1	122.8760	0.000	1	121.9658	1.664	6	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]N[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]2N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]N[5]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,5]C[5,6a]2N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	123.3740	0.000	1	121.6010	6.287	2	121.9658	1.664	6	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]N[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]2N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]N[5]){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,5]C[5,6a]2N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,6|C<3>}	119.8280	0.000	1	121.6010	6.287	2	121.9658	1.664	6	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]N[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]N[5]){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	122.6850	0.000	1	122.6850	0.000	1	121.9658	1.664	6	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	121.6640	0.000	1	122.2390	0.249	3	122.2390	0.249	3	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	122.5265	0.045	2	122.2390	0.249	3	122.2390	0.249	3	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[4,6]C[5,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6]C[4,6]C[5,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	121.4230	0.329	4	121.4230	0.108	4	121.7343	0.488	30	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6]C[5,6]C[6,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	122.0620	0.000	1	122.0620	0.000	1	121.7343	0.488	30	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|Br<1>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	123.3915	0.849	2	123.3915	0.721	2	121.7343	0.488	30	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	121.7210	0.000	1	121.6281	0.272	15	121.7343	0.488	30	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,2|N<3>,3|H<1>}	121.6120	0.602	2	121.6281	0.272	15	121.7343	0.488	30	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	120.5850	0.000	1	121.6281	0.272	15	121.7343	0.488	30	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	121.8280	0.987	2	121.6281	0.272	15	121.7343	0.488	30	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	121.8558	0.235	6	121.6281	0.272	15	121.7343	0.488	30	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|S<4>,2|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	121.9320	0.000	1	121.6281	0.272	15	121.7343	0.488	30	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	121.0840	0.134	2	121.6281	0.272	15	121.7343	0.488	30	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	121.6970	0.000	1	121.6970	0.000	1	121.7343	0.488	30	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	121.2460	0.000	1	121.2460	0.000	1	121.7343	0.488	30	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	122.2900	0.000	1	122.2900	0.000	1	121.7343	0.488	30	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	122.3400	0.000	1	121.9080	0.373	2	121.7343	0.488	30	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	121.4760	0.000	1	121.9080	0.373	2	121.7343	0.488	30	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,4|H<1>}	122.1780	0.000	1	122.1780	0.000	1	121.7343	0.488	30	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	121.4940	0.000	1	120.9215	0.656	2	121.7343	0.488	30	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	120.3490	0.000	1	120.9215	0.656	2	121.7343	0.488	30	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5]C[5x3,5x5,20x6]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<6>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5]C[5x3,5x5,20x6]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|C<6>,2|H<1>,4|B<6>}	121.2070	0.000	1	121.2070	0.000	1	121.2070	0.000	1	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5,6a]H)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])2(H)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5,6a]H)(O[5]C[5,5]){1|H<1>,3|C<3>,3|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])2(H){1|C<3>,4|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	123.6612	0.307	4	123.6612	0.094	4	123.6612	0.094	4	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]N[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(O[5]C[5,6]){1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[5,6a]C[5,6a]O[5])(H){2|C<3>,3|C<4>}	C[5,6a](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H){1|C<3>,2|H<1>,4|C<4>}	124.7660	0.000	1	124.3892	1.433	5	124.2881	1.001	7	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]N[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(O[5]C[5,6]){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H){1|C<3>,2|H<1>,4|C<4>}	124.2950	1.361	4	124.3892	1.433	5	124.2881	1.001	7	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])2(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(O[5]C[5,6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])2(H){1|C<3>,1|O<2>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H){2|C<3>,2|O<2>,4|H<1>}	124.0355	0.312	2	124.0355	0.097	2	124.2881	1.001	7	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])2(H)	C[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5,5]){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])2(H){1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H){1|H<1>,1|O<2>,5|C<3>}	123.7220	0.000	1	123.7220	0.000	1	123.7220	0.000	1	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6,6a]H)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6,6a]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6,6a]H)(O[5]C[5,5]){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|O<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6,6a]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	123.4660	0.363	2	123.4660	0.132	2	123.4660	0.132	2	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:F-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]F)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(F)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]F)(O[5]C[5,5]){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(F){1|C<3>,1|F<1>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|F<1>,3|H<1>}	119.9755	0.080	2	119.9755	0.006	2	119.9755	0.006	2	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(O[5]C[3,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(O[5]C[3,5]){1|C<3>,1|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){3|C<3>,3|H<1>}	122.6520	0.000	1	122.6520	0.000	1	122.6520	0.000	1	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(O[5]C[3x5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(O[5]C[3x5]){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>}	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|N<3>,3|H<1>}	122.7580	0.000	2	122.7580	0.000	2	122.0034	0.407	14	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	122.0865	0.207	2	122.0943	0.022	3	122.0034	0.407	14	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	122.1100	0.000	1	122.0943	0.022	3	122.0034	0.407	14	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(O[5]P[3x5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[3x5]C[5,6a]2P[3x5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(O[5]P[3x5]){2|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|P<5>,2|C<4>}	C[5,6a](C[3x5]C[5,6a]2P[3x5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<2>,5|C<3>}	122.1918	0.255	6	122.1918	0.065	6	122.0034	0.407	14	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(O[5]Si[3x5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[3x5]C[5,6a]2Si[3x5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(O[5]Si[3x5]){1|O<3>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Si<5>,1|C<3>,2|C<4>}	C[5,6a](C[3x5]C[5,6a]2Si[3x5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<3>,2|O<2>,5|C<3>}	121.0323	0.599	3	121.0323	0.359	3	122.0034	0.407	14	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	123.4090	0.000	1	123.4090	0.000	1	123.4090	0.000	1	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a,6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])	C[5,6a](C[5,6a]C[5,5,6]C[6a,6a])(C[6a]C[6a]H)(O[5]C[5,6]){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(H){2|C<3>,2|C<4>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5]){3|C<3>,4|C<4>,6|H<1>}	123.5170	0.000	1	123.5170	0.000	1	123.5170	0.000	1	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[3,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[3,5]N[5]O[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[3,5]){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,5]C[3,5]N[5]O[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	122.5040	0.057	2	122.5040	0.003	2	122.9481	1.091	45	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5,6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5,6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	121.9010	0.000	1	121.9010	0.000	1	122.9481	1.091	45	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	122.5730	0.000	1	122.2025	0.275	2	122.9481	1.091	45	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|O<2>,3|C<3>}	121.8320	0.000	1	122.2025	0.275	2	122.9481	1.091	45	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]C){1|O<2>,2|H<1>,4|C<3>}	122.6490	0.000	1	122.6490	0.000	1	122.9481	1.091	45	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	121.9730	0.000	1	122.8535	0.332	10	122.9481	1.091	45	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	122.7520	0.000	1	122.8535	0.332	10	122.9481	1.091	45	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	122.4770	0.000	1	122.8535	0.332	10	122.9481	1.091	45	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|N<3>,3|H<1>}	123.7620	0.000	1	122.8535	0.332	10	122.9481	1.091	45	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	123.7920	0.000	1	122.8535	0.332	10	122.9481	1.091	45	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	123.0130	0.147	2	122.8535	0.332	10	122.9481	1.091	45	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	122.6760	0.000	1	122.8535	0.332	10	122.9481	1.091	45	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	122.3750	0.000	1	122.8535	0.332	10	122.9481	1.091	45	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	122.7020	0.000	1	122.8535	0.332	10	122.9481	1.091	45	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	122.1070	0.000	1	122.7665	0.217	4	122.9481	1.091	45	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	122.8200	0.000	1	122.7665	0.217	4	122.9481	1.091	45	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	123.0695	0.173	2	122.7665	0.217	4	122.9481	1.091	45	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5]N)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,5]C[5,5]N[5]N)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	122.1100	0.218	2	122.1100	0.047	2	122.9481	1.091	45	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,1|N<2>,1|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	122.5120	0.000	1	122.0617	0.200	3	122.9481	1.091	45	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	121.8365	0.310	2	122.0617	0.200	3	122.9481	1.091	45	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	122.1560	0.000	1	121.9290	0.107	4	122.9481	1.091	45	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	121.8180	0.000	1	121.9290	0.107	4	122.9481	1.091	45	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	121.5170	0.000	1	121.9290	0.107	4	122.9481	1.091	45	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	122.2250	0.000	1	121.9290	0.107	4	122.9481	1.091	45	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,1|C<4>,2|H<1>,3|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	124.8510	0.000	1	124.8340	0.001	2	122.9481	1.091	45	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|H<1>,2|O<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|O<1>,2|H<1>,4|C<3>}	124.8170	0.000	1	124.8340	0.001	2	122.9481	1.091	45	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|H<1>,3|C<3>,3|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	122.7420	0.000	1	122.7420	0.000	1	122.9481	1.091	45	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){2|C<3>,2|C<4>,3|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	124.5670	0.000	1	124.7060	0.178	7	122.9481	1.091	45	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){2|C<3>,2|C<4>,3|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	124.8377	0.549	4	124.7060	0.178	7	122.9481	1.091	45	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){3|O<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|O<1>,2|H<1>,4|C<3>}	124.5120	0.000	2	124.7060	0.178	7	122.9481	1.091	45	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	122.9840	0.000	1	122.9840	0.000	1	122.9481	1.091	45	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|O<2>,3|C<3>,6|H<1>}	123.0410	0.021	2	123.0410	0.000	2	122.9481	1.091	45	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5]){1|N<2>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	122.1040	0.000	1	122.1040	0.000	1	122.9481	1.091	45	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	121.5720	0.000	1	122.2285	0.862	2	122.9481	1.091	45	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5]){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	122.8850	0.000	1	122.2285	0.862	2	122.9481	1.091	45	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	123.0310	0.000	1	123.0310	0.000	1	123.0310	0.000	1	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6]C[5,6]O[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6]C[5,6]O[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.0170	0.101	3	122.0170	0.010	3	122.9169	0.687	34	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]F)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	122.3900	0.000	1	122.3900	0.000	1	122.9169	0.687	34	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>,4|H<1>}	121.7560	0.000	1	121.9405	0.068	2	122.9169	0.687	34	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	122.1250	0.000	1	121.9405	0.068	2	122.9169	0.687	34	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]C){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	122.8350	0.000	1	122.8555	0.001	2	122.9169	0.687	34	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]C){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	122.8760	0.000	1	122.8555	0.001	2	122.9169	0.687	34	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|N<3>,3|H<1>}	122.3990	0.000	1	122.5898	0.315	6	122.9169	0.687	34	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	121.9660	0.000	1	122.5898	0.315	6	122.9169	0.687	34	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|N<3>,3|H<1>}	122.7370	0.000	1	122.5898	0.315	6	122.9169	0.687	34	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	123.1955	0.316	2	122.5898	0.315	6	122.9169	0.687	34	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){3|C<3>,4|H<1>}	122.0460	0.000	1	122.5898	0.315	6	122.9169	0.687	34	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]N[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6]C[5,6]N[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	122.8750	0.000	1	122.8750	0.000	1	122.9169	0.687	34	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl){1|C<4>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	123.5850	0.000	1	123.5850	0.000	1	122.9169	0.687	34	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]O[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6]C[5,6]O[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	122.4200	0.000	1	122.4200	0.000	1	122.9169	0.687	34	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	121.6870	0.000	1	121.6870	0.000	1	122.9169	0.687	34	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]C[5,6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6]C[6,6a]C[5,6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	122.4160	0.000	1	122.4160	0.000	1	122.9169	0.687	34	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	124.5790	0.000	1	124.5790	0.000	1	122.9169	0.687	34	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<4>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	123.9080	0.000	1	123.9080	0.000	1	122.9169	0.687	34	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	123.3350	0.000	1	123.8158	0.847	5	122.9169	0.687	34	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<4>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	125.4180	0.000	1	123.8158	0.847	5	122.9169	0.687	34	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,5|H<1>}	123.4420	0.293	3	123.8158	0.847	5	122.9169	0.687	34	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){2|C<3>,2|C<4>,4|H<1>}	123.2925	0.213	2	123.2925	0.045	2	122.9169	0.687	34	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]O[6a]C)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]O[6a]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]O[6a]C)(H){1|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]O[6a]O){1|O<2>,2|C<3>,4|H<1>}	122.8750	0.000	1	123.1220	0.085	3	122.9169	0.687	34	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]O[6a]C)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]O[6a]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]O[6a]C)(H){1|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]O[6a]O){1|O<2>,2|C<3>,4|H<1>}	123.2455	0.279	2	123.1220	0.085	3	122.9169	0.687	34	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	124.0190	0.000	1	124.0190	0.000	1	122.9169	0.687	34	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){4|C<3>,6|H<1>}	122.5410	0.011	2	122.5410	0.000	2	122.9169	0.687	34	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]B[5,6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5]B[5,6a]N[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]B[5,6a]){1|C<3>,1|N<4>,2|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	C[5,6a](C[5]B[5,6a]N[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	121.4690	0.000	1	121.4690	0.000	1	122.1930	1.663	5	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5]C[5,5]C[5a]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5]C[5,5]C[5a]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	122.8400	0.000	1	122.8400	0.000	1	122.1930	1.663	5	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	122.9850	0.000	1	123.1870	0.082	2	122.1930	1.663	5	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	123.3890	0.000	1	123.1870	0.082	2	122.1930	1.663	5	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5]C[6a]C[5]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5]C[6a]C[5]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	120.2820	0.000	1	120.2820	0.000	1	122.1930	1.663	5	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Br)(S[5]C[5,6])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Br)(S[5]C[5,6]){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	120.2790	0.000	1	120.2790	0.000	1	120.2790	0.000	1	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(S[5]C[4,5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,5]2C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(S[5]C[4,5]){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[4,5]C[4,5]2C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,3|H<1>,4|C<3>}	121.1440	0.000	1	121.1440	0.000	1	121.1440	0.000	1	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	120.3940	0.000	1	120.3940	0.000	1	120.2526	0.481	8	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	119.6970	0.000	1	120.0078	0.245	6	120.2526	0.481	8	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5]){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	120.0700	0.527	5	120.0078	0.245	6	120.2526	0.481	8	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]S[5]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]Br)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5]){1|Br<1>,1|S<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,5]C[5,5]S[5]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]Br){3|C<3>,3|H<1>}	121.5800	0.000	1	121.5800	0.000	1	120.2526	0.481	8	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	P[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(S[5]Ga[5,5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](P[5,5]C[5,6a]Ga[5,5]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(S[5]Ga[5,5]){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|Ga<4>,1|C<3>,1|H<1>,1|P<4>}	C[5,6a](P[5,5]C[5,6a]Ga[5,5]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|H<1>,5|C<3>}	118.0357	0.119	6	118.1096	0.029	8	117.9808	0.066	16	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	P[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(S[5]Ga[5,5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](P[5,5]C[5,6a]Ga[5,5]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(S[5]Ga[5,5]){2|H<1>,2|S<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|Ga<4>,1|C<3>,1|H<1>,1|P<4>}	C[5,6a](P[5,5]C[5,6a]Ga[5,5]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,2|S<2>,5|C<3>}	118.3315	0.060	2	118.1096	0.029	8	117.9808	0.066	16	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	P[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(S[5]Ge[4x5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](P[5,5]C[5,6a]Ge[4x5]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(S[5]Ge[4x5]){1|P<4>,2|H<1>,3|C<3>,3|S<2>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|Ge<6>,1|C<3>,1|H<1>,1|P<4>}	C[5,6a](P[5,5]C[5,6a]Ge[4x5]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|P<4>,2|H<1>,3|S<2>,5|C<3>}	117.9440	0.252	4	117.9440	0.063	4	117.9808	0.066	16	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	P[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(S[5]In[4x5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](P[5,5]C[5,6a]In[4x5]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(S[5]In[4x5]){1|P<4>,2|H<1>,3|C<3>,3|S<2>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|In<6>,1|C<3>,1|H<1>,1|P<4>}	C[5,6a](P[5,5]C[5,6a]In[4x5]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|P<4>,2|H<1>,3|S<2>,5|C<3>}	117.7600	0.292	4	117.7600	0.085	4	117.9808	0.066	16	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	P[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]P[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](P[5,6]C[5,6]C[6]S)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]P[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|C<3>,1|S<1>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|P<4>}	C[5,6a](P[5,6]C[5,6]C[6]S)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	120.1890	0.000	1	120.1890	0.000	1	120.1890	0.000	1	122.0503	2.886	198	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:2:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]Se[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]Se[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]Se[5]){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC){1|Se<2>,1|C<3>,1|H<1>,1|N<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]Se[5]){1|C<2>,1|C<3>,1|H<1>}	119.8435	0.042	2	119.8435	0.002	2	119.8435	0.002	2	121.1118	2.056	60	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:2:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a,6a]-3:C[5,6a]-3:C-2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]C)(N[5]Se[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(CC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]C)(N[5]Se[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]C)(N[5]Se[5]){1|C<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(CC){1|Se<2>,1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]C)(N[5]Se[5]){1|C<2>,2|C<3>}	120.2370	0.474	2	120.2370	0.224	2	120.4643	0.144	4	121.1118	2.056	60	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:2:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a,6a]-3:C[5,6a]-3:C-2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]C)(N[5]Se[5])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]N[5])(CC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]C)(N[5]Se[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]C)(N[5]Se[5]){1|C<2>,1|C<3>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]N[5])(CC){1|Se<2>,2|C<3>,2|N<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]C)(N[5]Se[5]){1|C<2>,1|C<3>,1|N<2>}	120.6915	0.042	2	120.6915	0.002	2	120.4643	0.144	4	121.1118	2.056	60	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:2:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6,6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]O)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(OC)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]O)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(OC){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.7520	0.000	1	120.7520	0.000	1	121.3138	0.115	6	121.1118	2.056	60	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:2:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6,6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]O)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(OH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]O)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(OH){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	121.6850	0.000	1	121.4262	0.049	5	121.3138	0.115	6	121.1118	2.056	60	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:2:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6,6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]O)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(OH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]O)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(OH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|O<2>,2|C<3>,2|H<1>}	121.3615	0.193	4	121.4262	0.049	5	121.3138	0.115	6	121.1118	2.056	60	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:2:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]2)(OC)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]2)(OC){1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	121.0627	0.314	9	121.0627	0.099	9	121.4455	0.246	28	121.1118	2.056	60	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:2:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Br)(OC)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5]){1|Br<1>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Br)(OC){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<2>,2|C<3>,2|H<1>}	121.1200	0.000	1	121.1200	0.000	1	121.4455	0.246	28	121.1118	2.056	60	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:2:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(OC)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(OC){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	121.1510	0.000	1	121.1510	0.000	1	121.4455	0.246	28	121.1118	2.056	60	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:2:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(OH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	122.4700	0.000	1	122.4700	0.000	1	121.4455	0.246	28	121.1118	2.056	60	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:2:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(OC)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(OC){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	121.8070	0.331	2	121.8070	0.110	2	121.4455	0.246	28	121.1118	2.056	60	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:2:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]2)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]2)(O[5]C[5]){1|O<2>,2|H<1>,4|C<3>}	121.6140	0.066	2	121.6140	0.004	2	121.4455	0.246	28	121.1118	2.056	60	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:2:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Br)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5]){1|Br<1>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Br)(O[5]C[5]){1|O<2>,2|C<3>,2|H<1>}	122.1827	0.163	3	122.1827	0.027	3	121.4455	0.246	28	121.1118	2.056	60	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:2:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5]){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	120.8070	0.000	1	121.4200	0.145	9	121.4455	0.246	28	121.1118	2.056	60	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:2:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5]){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	121.5183	0.097	3	121.4200	0.145	9	121.4455	0.246	28	121.1118	2.056	60	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:2:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5]){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<2>,2|C<3>,2|H<1>}	121.4836	0.424	5	121.4200	0.145	9	121.4455	0.246	28	121.1118	2.056	60	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:2:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6,6a]-3:C[5,6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]O)(O[5]C[5])	C[6a](C[6,6a]C[5a,6]C[6,6a])(C[5,6a]C[5,6a]O[5])(OC)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]O)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[6,6a]C[5a,6]C[6,6a])(C[5,6a]C[5,6a]O[5])(OC){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	121.2530	0.000	1	121.2530	0.000	1	119.3020	7.613	2	121.1118	2.056	60	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:2:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6,6a]-3:C[5,6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]O)(O[5]C[5])	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(OC)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]O)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(OC){1|O<2>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	117.3510	0.000	1	117.3510	0.000	1	119.3020	7.613	2	121.1118	2.056	60	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:2:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a,6a]-3:C[5,6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]O)(O[5]C[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(OC)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]O)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(OC){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5]){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	121.2960	0.000	1	121.9067	0.389	3	121.9067	0.389	3	121.1118	2.056	60	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:2:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a,6a]-3:C[5,6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]O)(O[5]C[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(OC)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]O)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(OC){1|C<4>,1|O<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5]){1|C<3>,2|H<1>,2|O<2>}	122.2120	0.467	2	121.9067	0.389	3	121.9067	0.389	3	121.1118	2.056	60	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:2:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]C)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CN)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]C)(S[5]C[5]){1|C<3>,1|S<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CN){1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<2>,1|C<3>,1|H<1>,1|S<1>}	119.3770	0.266	2	119.4744	1.422	7	119.2747	1.232	9	121.1118	2.056	60	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:2:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]C)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CN)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]C)(S[5]C[5]){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CN){1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<2>,1|H<1>,2|C<3>}	119.5134	1.452	5	119.4744	1.422	7	119.2747	1.232	9	121.1118	2.056	60	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:2:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]C)(S[5]N[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CN)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]N[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]C)(S[5]N[5]){1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]N[5]){1|C<2>,1|C<3>,1|H<1>}	118.5755	0.248	2	118.5755	0.062	2	119.2747	1.232	9	121.1118	2.056	60	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:2:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:N-2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(S[5]S[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]2)(NS)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]C)(N[5]S[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(S[5]S[5]){1|C<4>,2|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]2)(NS){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]C)(N[5]S[5]){1|C<3>,1|H<1>,1|N<2>}	125.2510	0.465	2	125.2510	0.216	2	125.2510	0.216	2	121.1118	2.056	60	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:2:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[5,6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]O)(S[5]S[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a,6a]O)(OLi)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5])(N[5]S[5])	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]O)(S[5]S[5]){1|O<3>,2|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a,6a]O)(OLi){1|N<2>,1|S<2>,2|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5])(N[5]S[5]){1|H<1>,1|O<2>,3|C<3>}	124.7670	0.000	1	124.7670	0.000	1	124.7670	0.000	1	121.1118	2.056	60	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:2:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:N[6a]-3:N-2:	C[5,6a]-3:N[5]-3:N[6a]-2:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(N[6a]C[6a]C)(NH)	C[5,6a](C[5,6a]C[6a]S[5])(N[5]C[6a]C[5])(N[6a]C[6a])	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(S[5]C[5]){1|C<4>,1|S<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(N[6a]C[6a]C)(NH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5]C[6a]C[5])(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,1|S<1>,2|C<3>}	121.0630	0.000	1	121.0630	0.000	1	121.0630	0.000	1	121.1118	2.056	60	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:2:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5a,6a]-3:C[5,6a]-3:C-2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5a,6a]C)(S[5]C[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]S[5])(CN)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5a,6a]C)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5a,6a]C)(S[5]C[5]){1|C<2>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]S[5])(CN){1|N<2>,2|C<3>,2|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5a,6a]C)(S[5]C[5]){1|C<2>,1|N<2>,2|C<3>}	121.3380	0.646	2	121.3380	0.418	2	121.3380	0.418	2	121.1118	2.056	60	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:2:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:N[6a]-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(N[5]C[5,6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N[6a])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(N[5]C[5,6a]){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N[6a])(N[6a]C[6a]){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	120.3215	0.342	2	120.3215	0.117	2	120.3215	0.117	2	122.0944	3.856	8	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:2:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]N[5,6a]N)(CN)	C[5,6a](C[5,6a]N[5,6a]S[5])(C[5,6a]C[6a]O[5])(C[5]C[5]C)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,1|N<2>,1|N<3>,1|S<2>,2|C<4>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]N[5,6a]N)(CN){1|C<4>,3|C<3>}	C[5,6a](C[5,6a]N[5,6a]S[5])(C[5,6a]C[6a]O[5])(C[5]C[5]C){1|C<2>,2|C<4>,3|C<3>}	122.9960	0.000	1	122.9960	0.000	1	122.9960	0.000	1	122.0944	3.856	8	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:2:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N)(CN)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a]C[6a])(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5]){1|N<3>,1|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N)(CN){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a]C[6a])(C[5]C[5]C){1|C<2>,1|H<1>,1|O<1>,3|C<3>}	126.2630	0.000	1	126.2630	0.000	1	126.2630	0.000	1	122.0944	3.856	8	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:2:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(OH)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5,5]){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(OH){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]C){1|O<2>,2|C<3>,2|C<4>}	122.4290	0.000	1	122.4290	0.000	1	122.4290	0.000	1	122.0944	3.856	8	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:2:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|H<1>,1|O<2>,2|C<3>}	122.3130	0.000	1	122.3130	0.000	1	121.7835	0.561	2	122.0944	3.856	8	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:2:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OSi)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OSi){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	121.2540	0.000	1	121.2540	0.000	1	121.7835	0.561	2	122.0944	3.856	8	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:2:	3:3:3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[6a]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(Se[5]N[5])	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(NN)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(Se[5]N[5]){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(NN){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O){1|H<1>,1|N<2>,2|C<3>}	120.8570	0.000	1	120.8570	0.000	1	120.8570	0.000	1	122.0944	3.856	8	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:2:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<2>,1|C<4>,1|O<2>,2|C<3>}	122.5970	0.000	1	122.5970	0.000	1	122.5970	0.000	1	122.8818	1.949	25	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:2:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,2|H<1>,2|O<2>}	123.1460	0.000	1	122.7270	0.351	2	122.3870	1.888	16	122.8818	1.949	25	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:2:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5]){3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|H<1>,1|O<2>,3|C<3>}	122.3080	0.000	1	122.7270	0.351	2	122.3870	1.888	16	122.8818	1.949	25	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:2:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5]){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	121.1722	1.061	6	121.1722	1.125	6	122.3870	1.888	16	122.8818	1.949	25	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:2:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	122.1230	0.000	1	122.1230	0.000	1	122.3870	1.888	16	122.8818	1.949	25	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:2:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5]){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	121.9315	0.547	2	121.9315	0.299	2	122.3870	1.888	16	122.8818	1.949	25	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:2:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OMg)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5]){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OMg){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	124.1223	0.249	3	124.1223	0.062	3	122.3870	1.888	16	122.8818	1.949	25	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:2:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(OC)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5]){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(OC){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CC){1|C<3>,1|O<1>,2|O<2>}	123.6710	0.000	1	123.6760	0.000	2	122.3870	1.888	16	122.8818	1.949	25	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:2:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(OC)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CC){1|C<3>,1|O<2>,3|H<1>}	123.6810	0.000	1	123.6760	0.000	2	122.3870	1.888	16	122.8818	1.949	25	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:2:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6,6a]-3:C[5,6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]O)(O[5]C[5])	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(OH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]O)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]O)(O[5]C[5]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(OH){2|C<3>,5|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]O)(C[5]C[5]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	124.4005	0.235	4	124.5152	0.107	5	124.5152	0.107	5	122.8818	1.949	25	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:2:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6,6a]-3:C[5,6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]O)(O[5]C[5])	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(OH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]O)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]O)(O[5]C[5]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(OH){3|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]O)(C[5]C[5]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	124.9740	0.000	1	124.5152	0.107	5	124.5152	0.107	5	122.8818	1.949	25	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:2:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a,6a]-3:C[5,6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(O[5]C[5])	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[5,6a]C[5,6a]O[5])(OC)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[5,6a]C[5,6a]O[5])(OC){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	122.2160	0.000	1	122.2160	0.000	1	122.8937	0.347	3	122.8818	1.949	25	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:2:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a,6a]-3:C[5,6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(O[5]C[5])	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[5,6a]C[5,6a]O[5])(OH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(O[5]C[5]){1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[5,6a]C[5,6a]O[5])(OH){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH){1|H<1>,1|O<2>,3|C<3>}	123.2325	0.066	2	123.2325	0.004	2	122.8937	0.347	3	122.8818	1.949	25	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:2:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:S-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]S)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(SC[6])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]S)(O[5]C[5,6]){3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(SC[6]){1|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|S<2>,3|C<3>}	122.0120	0.000	1	122.0120	0.000	1	122.0120	0.000	1	122.0120	0.000	1	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:2:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,6a]-3:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5,6a]O)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])2(OH)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5,6a]O)(O[5]C[5,5]){1|H<1>,3|C<3>,3|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])2(OH){1|C<3>,4|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H){1|C<4>,1|O<1>,2|O<2>,3|C<3>}	123.4400	0.782	2	123.4400	0.612	2	123.4400	0.612	2	122.6576	0.956	14	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:2:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O-2:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)(O[5]C[5,6]){1|C<3>,2|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]C){1|C<3>,1|N<3>,2|O<2>,3|C<4>,4|H<1>}	122.2005	0.206	2	122.2005	0.042	2	122.2005	0.042	2	122.6576	0.956	14	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:2:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]O)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]O)(O[5]C[5,6]){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	123.0150	0.000	1	123.0150	0.000	1	123.0150	0.000	1	122.6576	0.956	14	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:2:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[5]C[5,6]){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	122.3160	0.000	1	122.3160	0.000	1	122.4739	1.360	8	122.6576	0.956	14	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:2:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[5]C[5,6]){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]C){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	121.7290	0.000	1	121.7290	0.000	1	122.4739	1.360	8	122.6576	0.956	14	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:2:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OH)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[5]C[5,6]){1|C<3>,2|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]C){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	122.7360	1.686	4	122.7192	2.133	5	122.4739	1.360	8	122.6576	0.956	14	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:2:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OH)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[5]C[5,6]){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	122.6520	0.000	1	122.7192	2.133	5	122.4739	1.360	8	122.6576	0.956	14	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:2:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(OH)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[5]C[5,6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){2|C<3>,2|O<2>,4|H<1>}	122.1500	0.000	1	122.1500	0.000	1	122.4739	1.360	8	122.6576	0.956	14	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:2:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O-2:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5,5]){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	123.1200	0.000	1	123.1200	0.000	1	123.1200	0.000	1	122.6576	0.956	14	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C[5])(N[5]Se[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[5]Se[5]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C[5])(N[5]Se[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C[5])(N[5]Se[5]){1|Se<2>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[5]Se[5]C[5])(C[6a]C[6a]H){1|Se<2>,1|N<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C[5])(N[5]Se[5]){1|Se<2>,1|H<1>,3|C<3>}	121.6120	1.239	2	121.6120	1.535	2	121.6120	1.535	2	122.6302	2.593	65	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a]C[6a])(N[5]Se[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[5a]C[5a]S[5a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a]C[6a])(N[5]Se[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a]C[6a])(N[5]Se[5]){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[5a]C[5a]S[5a])(C[6a]C[6a]H){1|Se<2>,1|N<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a]C[6a])(N[5]Se[5]){1|H<1>,1|S<2>,3|C<3>}	120.8495	0.612	2	120.8495	0.374	2	120.8495	0.374	2	122.6302	2.593	65	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[5a]C[6a])(N[5]Se[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[5a]C[5a]S[5a])(C[6a]C[6a,6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(N[5]Se[5])	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[5a]C[6a])(N[5]Se[5]){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[5a]C[5a]S[5a])(C[6a]C[6a,6a]H){1|Se<2>,1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(N[5]Se[5]){1|H<1>,4|C<3>}	120.0810	0.000	1	120.0810	0.000	1	120.0810	0.000	1	122.6302	2.593	65	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]Se[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]Se[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]Se[5]){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCH){1|Se<2>,1|C<3>,1|H<1>,1|N<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]Se[5]){1|H<1>,2|C<3>}	120.5752	0.793	6	120.5752	0.629	6	120.5752	0.629	6	122.6302	2.593	65	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]2)(N[5]Se[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]2)(N[5]Se[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]2)(N[5]Se[5]){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|Se<2>,1|N<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]2)(N[5]Se[5]){1|H<1>,4|C<3>}	120.6602	0.242	5	120.6602	0.059	5	120.6602	0.059	5	122.6302	2.593	65	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a]C[6a])(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a]C[6a])(O[5]C[5]){2|F<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|H<1>,2|C<3>,2|F<1>}	124.2770	0.000	1	124.2770	0.000	1	124.2770	0.000	1	122.6302	2.593	65	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(CC[5]H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(CC[5]H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	123.4500	0.000	1	123.4500	0.000	1	122.9457	0.796	7	122.6302	2.593	65	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(COO)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]2)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5]){2|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(COO){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]2)(O[5]C[5]){1|H<1>,2|C<4>,4|C<3>}	123.0370	0.000	1	123.0370	0.000	1	122.9457	0.796	7	122.6302	2.593	65	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CCH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CCH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	123.6995	0.220	2	123.6995	0.048	2	122.9457	0.796	7	122.6302	2.593	65	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CHO)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CHO){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|N<3>,2|C<3>,2|H<1>}	122.0310	0.000	1	122.0310	0.000	1	122.9457	0.796	7	122.6302	2.593	65	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(COO)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(COO){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	121.4070	0.000	1	121.4070	0.000	1	122.9457	0.796	7	122.6302	2.593	65	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(CCC)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(CCC){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	123.2960	0.000	1	123.2960	0.000	1	122.9457	0.796	7	122.6302	2.593	65	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]2)(O[5]C[5]){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5]){2|C<3>,3|H<1>}	123.8720	0.539	2	123.8720	0.290	2	123.6030	1.489	26	122.6302	2.593	65	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6a]C[6a])(C[6a]C[6a]P)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]2)(O[5]C[5]){1|H<1>,1|P<3>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6a]C[6a])(C[6a]C[6a]P){1|C<4>,1|H<1>,1|P<3>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|H<1>,2|C<3>,2|C<4>}	122.6530	0.000	1	123.6035	1.658	23	123.6030	1.489	26	122.6302	2.593	65	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6a]C[6a])(C[6a]C[6a]P)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]2)(O[5]C[5]){1|P<3>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6a]C[6a])(C[6a]C[6a]P){1|C<4>,1|H<1>,1|P<3>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	122.9710	0.652	2	123.6035	1.658	23	123.6030	1.489	26	122.6302	2.593	65	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6a]C[6a])(C[6a]C[6a]P)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]2)(O[5]C[5]){1|P<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6a]C[6a])(C[6a]C[6a]P){1|C<4>,1|H<1>,1|P<4>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	123.7142	1.340	20	123.6035	1.658	23	123.6030	1.489	26	122.6302	2.593	65	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]2)(O[5]C[5]){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5]){2|C<3>,3|C<4>}	123.0530	0.000	1	123.0530	0.000	1	123.6030	1.489	26	122.6302	2.593	65	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]C)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])2(CC[6a]2)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]C)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]C)(S[5]C[5]){1|S<2>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]S[5])2(CC[6a]2){1|C<3>,2|C<4>,2|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]C)(S[5]C[5]){1|S<2>,2|C<3>,2|C<4>}	121.0585	0.086	2	121.0585	0.007	2	120.8708	0.050	4	122.6302	2.593	65	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]C)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])2(COO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]C)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]C)(S[5]C[5]){1|S<2>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]S[5])2(COO){1|C<3>,2|C<4>,2|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]C)(S[5]C[5]){1|S<2>,2|C<3>,2|C<4>}	120.6830	0.024	2	120.6830	0.001	2	120.8708	0.050	4	122.6302	2.593	65	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5a,6a]-3:C[5,6a]-3:N-3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]N)(S[5]S[5])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]S[5])(NOO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5a,6a]O)(N[5]S[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]N)(S[5]S[5]){1|C<3>,1|O<1>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]S[5])(NOO){1|C<3>,2|N<2>,2|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5a,6a]O)(N[5]S[5]){1|C<3>,1|N<2>,1|N<3>}	120.7860	0.000	1	120.7860	0.000	1	120.7860	0.000	1	122.6302	2.593	65	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:2:	C[6a]-3:C[5,6a]-3:O[5]-2:	C[6a,6a]-3:C[6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(O[5]C[5,5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]O[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5,5])	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(O[5]C[5,5]){1|H<1>,2|O<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]O[5]){1|C<4>,1|H<1>,2|O<2>,6|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5,5]){2|O<2>,3|C<3>}	123.6366	0.741	10	123.6366	0.549	10	123.6366	0.549	10	122.6302	2.593	65	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[5]C[5,6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5,6a]C[6a]N[5])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[5]C[5,6a]){7|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){1|N<2>,2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5,6a]C[6a]N[5]){1|H<1>,1|N<2>,6|C<3>}	122.0260	0.000	1	122.0260	0.000	1	122.0260	0.000	1	120.5103	7.069	22	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	123.2415	0.203	2	123.2415	0.041	2	123.2415	0.041	2	120.5103	7.069	22	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]){1|N<3>,2|C<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]C){1|N<3>,5|C<3>}	123.3920	0.000	1	123.3920	0.000	1	123.3920	0.000	1	120.5103	7.069	22	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a,6a]I)(C[6a]C[6a]2)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]2)(N[5]C[5]){1|H<1>,1|I<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a,6a]I)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]C){2|H<1>,4|C<3>}	125.2240	0.000	1	125.2240	0.000	1	125.2240	0.000	1	120.5103	7.069	22	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(N[5]O[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(NOO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a]C[6a])(N[5]O[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(N[5]O[5]){1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(NOO){1|C<3>,1|O<2>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a]C[6a])(N[5]O[5]O){2|N<3>,3|C<3>}	117.6400	0.000	1	117.6400	0.000	1	116.7782	0.337	4	120.5103	7.069	22	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(N[5]O[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(NOO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]O[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(N[5]O[5]){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(NOO){1|C<2>,1|C<3>,1|N<3>,1|O<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]O[5]O){1|C<2>,1|C<3>,1|N<3>}	116.4910	0.104	3	116.4910	0.011	3	116.7782	0.337	4	120.5103	7.069	22	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[5])(N[5]C[5,6a])	C[6a](C[5,6a]C[5,6a]N[5])(N[5]C[5]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[5])(N[5]C[5,6a]){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(N[5]C[5]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	116.7805	0.159	2	116.7805	0.025	2	116.7805	0.025	2	120.5103	7.069	22	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(NOO)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(O[5]C[5]){1|Ru<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(NOO){1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ru){1|C<4>,1|N<3>,2|C<3>}	120.7150	0.000	1	120.7150	0.000	1	120.7150	0.000	1	120.5103	7.069	22	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CNO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(S[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CNO){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O){1|H<1>,3|C<3>}	119.8170	0.000	1	119.8170	0.000	1	120.1790	0.439	3	120.5103	7.069	22	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(S[5]N[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CHN)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(S[5]N[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CHN){1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]H){2|C<3>,2|C<4>}	120.3600	0.826	2	120.3600	0.682	2	120.1790	0.439	3	120.5103	7.069	22	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(NHH)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(S[5]C[5]){1|Zn<4>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(NHH){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Zn){1|C<3>,1|N<3>,2|H<1>}	121.9560	0.328	2	121.9560	0.108	2	121.9560	0.108	2	120.5103	7.069	22	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[5,6a]-3:B[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]B[5])(Se[5]C[5])	C[6a](C[5,6a]C[5,6a]Se[5])(C[5,6a]C[5,6a]C[5])(B[5]O[5]2)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[5,6a]B[5])(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]B[5])(Se[5]C[5]){1|Si<4>,1|B<3>,1|H<1>,2|C<3>,2|O<2>}	C[6a](C[5,6a]C[5,6a]Se[5])(C[5,6a]C[5,6a]C[5])(B[5]O[5]2){1|Se<2>,1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[5,6a]B[5])(C[5]C[5]H){1|Se<2>,1|Si<4>,1|B<3>,1|C<3>,2|O<2>}	122.3030	0.000	1	122.3030	0.000	1	122.3030	0.000	1	120.5103	7.069	22	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C[5])(Se[5]N[5])	C[6a](C[5,6a]C[5,6a]Se[5])(C[5]N[5]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C[5])(Se[5]N[5]){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]Se[5])(C[5]N[5]O[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,2|C<3>}	121.4530	0.000	1	121.4530	0.000	1	121.4530	0.000	1	120.5103	7.069	22	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(Se[5]N[5])	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(NCH)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(Se[5]N[5]){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O){1|H<1>,1|N<3>,2|C<3>}	122.0945	1.179	2	122.0945	1.389	2	121.5023	1.747	3	120.5103	7.069	22	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(Se[5]N[5])	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(NOO)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(Se[5]N[5]){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O){1|H<1>,1|N<3>,2|C<3>}	120.3180	0.000	1	120.3180	0.000	1	121.5023	1.747	3	120.5103	7.069	22	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(CCH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(O[5]C[5]){1|C<3>,1|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(CCH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]HH){1|O<2>,2|C<3>,2|H<1>}	123.8910	0.000	1	123.8910	0.000	1	123.8910	0.000	1	122.7843	2.107	16	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CNO)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,1|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|C<3>,3|H<1>}	122.3547	0.628	3	122.3547	0.394	3	122.3547	0.394	3	122.7843	2.107	16	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]2)(C[6a]C[6a]C){2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(C[5]C[5]HH){2|C<3>,3|H<1>}	124.8255	0.336	2	124.8255	0.113	2	124.1310	1.503	3	122.7843	2.107	16	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]2)(C[6a]N[6a]H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]N[6a]O)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5]){1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]2)(C[6a]N[6a]H){2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]N[6a]O)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	122.7420	0.000	1	122.7420	0.000	1	124.1310	1.503	3	122.7843	2.107	16	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]C)(C[6a]C[6a]2)	C[5,6a](C[6a,6a]C[6a,6a]O[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]C)(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]O[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]HH){2|H<1>,4|C<3>}	123.7470	0.000	1	123.7470	0.000	1	123.7470	0.000	1	122.7843	2.107	16	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(NOO)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(O[5]C[5]){1|C<3>,1|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	119.8030	0.000	1	119.8030	0.000	1	119.8030	0.000	1	122.7843	2.107	16	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N[5])(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(N[5]C[5]2)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N[5])(O[5]C[5]){3|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|H<1>,2|O<1>,4|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<3>,3|H<1>}	121.4988	0.242	4	121.4988	0.058	4	121.4988	0.058	4	122.7843	2.107	16	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OMg2)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5]){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OMg2){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|H<1>,1|O<3>,2|C<4>}	123.6725	0.284	2	123.6725	0.080	2	123.6725	0.080	2	122.7843	2.107	16	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[4]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O[4])(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(O[4]In[4]2)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O[4])(O[5]C[5]){2|In<4>,1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(O[4]In[4]2){1|C<3>,1|H<1>,1|O<3>,6|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|H<1>,1|O<3>,2|C<4>}	124.3100	0.000	1	124.3100	0.000	1	124.3100	0.000	1	122.7843	2.107	16	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]CoC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]){1|Co<9>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,3|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]CoC)(C[6a]C[6a]H){1|H<1>,3|C<3>}	122.0710	0.000	1	122.0710	0.000	1	122.0710	0.000	1	123.5910	1.127	4	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(CCH)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5,6]){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(CCH){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]O){1|H<1>,2|C<3>,2|C<4>}	124.4810	0.000	1	124.4810	0.000	1	124.0977	0.151	3	123.5910	1.127	4	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(CHO)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5,6]){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(CHO){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]O){1|H<1>,2|C<3>,2|C<4>}	124.1070	0.000	1	124.1070	0.000	1	124.0977	0.151	3	123.5910	1.127	4	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(COO)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HO)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5,6]){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(COO){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HO)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	123.7050	0.000	1	123.7050	0.000	1	124.0977	0.151	3	123.5910	1.127	4	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(CCO)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(O[5]C[5,5]){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(CCO){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){2|C<3>,3|C<4>,3|H<1>}	124.2090	0.008	2	124.2090	0.000	2	124.2090	0.000	2	124.3209	0.163	12	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(CCO)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C)(O[5]C[5,6]){1|C<4>,2|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(CCO){2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|C<4>,1|O<1>,4|C<3>}	124.5906	0.424	5	124.5906	0.179	5	124.3433	0.196	10	124.3209	0.163	12	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(CCO)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C)(O[5]C[5,6]){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(CCO){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){2|C<3>,3|C<4>,3|H<1>}	124.2573	0.265	3	124.0960	0.109	5	124.3433	0.196	10	124.3209	0.163	12	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(CCO)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C)(O[5]C[5,6]){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(CCO){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){2|C<4>,3|C<3>,3|H<1>}	123.8540	0.317	2	124.0960	0.109	5	124.3433	0.196	10	124.3209	0.163	12	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]C)(N[5]S[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(S[5]S[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]C)(N[5]S[5]){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC3){2|C<3>,2|S<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(S[5]S[5]){1|C<4>,2|C<3>}	117.1255	0.018	2	117.1255	0.000	2	117.1255	0.000	2	121.3267	4.133	64	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5,6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[5a,6a]S[5])(C[6a]C[6a]C)(N[5]S[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[5a,6a]H)(CC3)	C[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]N[5])(S[5]S[5])	C[5,6a](C[5,6a]C[5a,6a]S[5])(C[6a]C[6a]C)(N[5]S[5]){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[5a,6a]H)(CC3){1|C<3>,3|S<2>}	C[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]N[5])(S[5]S[5]){1|C<3>,1|C<4>,2|S<2>}	122.8980	0.000	1	122.8980	0.000	1	122.8980	0.000	1	121.3267	4.133	64	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[5,6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a,6a]S[5])(C[6a]C[6a]C)(N[5]S[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a,6a]H)(CC3)	C[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[6a]N[5])(S[5]S[5])	C[5,6a](C[5,6a]C[6a,6a]S[5])(C[6a]C[6a]C)(N[5]S[5]){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a,6a]H)(CC3){1|C<3>,1|N<2>,2|S<2>}	C[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[6a]N[5])(S[5]S[5]){1|C<4>,1|N<2>,2|C<3>}	120.7760	1.283	3	120.7760	1.645	3	120.7760	1.645	3	121.3267	4.133	64	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6a]Br)(CCCH)	C[5,6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(O[5]C[5]){1|Br<1>,1|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6a]Br)(CCCH){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[6a]O[5])(O[5]C[5]){3|C<3>,5|C<4>}	122.8340	3.272	4	122.8340	10.709	4	123.3817	7.157	6	121.3267	4.133	64	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6a]O)(CCCH)	C[5,6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6a]O)(CCCH){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|C<3>,2|H<1>,5|C<4>}	124.3080	0.000	1	124.4770	0.057	2	123.3817	7.157	6	121.3267	4.133	64	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6a]O)(CCCH)	C[5,6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6a]O)(CCCH){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[6a]O[5])(O[5]C[5]){2|H<1>,3|C<3>,3|C<4>}	124.6460	0.000	1	124.4770	0.057	2	123.3817	7.157	6	121.3267	4.133	64	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5,5]){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,1|N<3>,1|O<2>,2|C<4>}	122.4650	0.000	1	122.4650	0.000	1	121.0651	2.071	36	121.3267	4.133	64	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(CHHN)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(CHHN){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	123.8655	0.463	2	123.8655	0.215	2	121.0651	2.071	36	121.3267	4.133	64	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(CH3)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(CH3){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	124.9890	0.000	1	124.9890	0.000	1	121.0651	2.071	36	121.3267	4.133	64	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N[5a])(CC[6a]HO)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N[5a])(CC[6a]HO){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	123.9620	0.000	1	123.9620	0.000	1	121.0651	2.071	36	121.3267	4.133	64	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]Ga[3x5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]Ga[3x5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]Ga[3x5]){1|C<3>,2|H<1>,4|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3){1|Ga<6>,1|C<3>,1|C<4>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]Ga[3x5]){1|C<3>,2|C<4>,4|O<2>}	119.6510	0.549	6	119.6510	0.302	6	121.0651	2.071	36	121.3267	4.133	64	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]Ga[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]Ga[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]Ga[5,5]){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3){1|Ga<4>,1|C<3>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]Ga[5,5]){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	121.6985	0.285	2	121.6985	0.081	2	121.0651	2.071	36	121.3267	4.133	64	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]Ge[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]Ge[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]Ge[5]){2|Cl<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3){1|Ge<5>,1|C<3>,1|C<4>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]Ge[5]){2|Cl<1>,2|C<3>,2|C<4>}	122.0600	0.000	1	122.0600	0.000	1	121.0651	2.071	36	121.3267	4.133	64	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]In[3x5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]In[3x5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]In[3x5]){1|C<3>,1|C<4>,1|H<1>,2|N<3>,2|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3){1|In<6>,1|C<3>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]In[3x5]){1|C<3>,1|C<4>,1|H<1>,2|N<3>,2|O<2>}	120.7552	0.065	4	120.7197	0.611	22	121.0651	2.071	36	121.3267	4.133	64	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]In[3x5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]In[3x5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]In[3x5]){1|C<3>,1|C<4>,1|H<1>,4|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3){1|In<6>,1|C<3>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]In[3x5]){1|C<3>,1|C<4>,1|H<1>,4|O<2>}	120.7118	0.868	18	120.7197	0.611	22	121.0651	2.071	36	121.3267	4.133	64	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]C)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC[6]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]C)(O[5]C[5,6]){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC[6]HH){1|C<3>,1|S<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(S[5]C[5,6]){2|C<4>,3|C<3>}	122.1340	0.000	1	122.1340	0.000	1	121.8615	0.149	2	121.3267	4.133	64	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]C)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]C)(O[5]C[5,6]){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,1|S<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(S[5]C[5,6]){2|C<4>,3|C<3>}	121.5890	0.000	1	121.5890	0.000	1	121.8615	0.149	2	121.3267	4.133	64	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]C)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6,6a]O)(CH3)	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6,6a]O)(CH3){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	123.6920	0.000	1	123.7710	0.012	2	123.7710	0.012	2	121.3267	4.133	64	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]C)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6,6a]O)(CH3)	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6,6a]O)(CH3){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	123.8500	0.000	1	123.7710	0.012	2	123.7710	0.012	2	121.3267	4.133	64	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:P-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]P)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(PC[6a]2Cu)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]P)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(PC[6a]2Cu){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|P<4>,3|H<1>}	123.0340	0.000	1	123.0340	0.000	1	123.0340	0.000	1	121.3267	4.133	64	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a,6a]-3:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]C)(O[5]C[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(CCCH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]C)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(CCCH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5]){1|C<4>,2|C<3>,2|H<1>}	124.2075	0.073	2	124.2075	0.005	2	124.2075	0.005	2	121.3267	4.133	64	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:P[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(P[5]C[5])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CC3)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(P[5]C[5]){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CC3){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,2|C<4>}	117.7110	0.017	2	117.7110	0.000	2	117.7110	0.000	2	121.3267	4.133	64	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]C)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])2(CC[6a]2O)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]I)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]C)(S[5]C[5]){1|C<3>,1|I<1>,1|S<2>,2|C<4>}	C[6a](C[5,6a]C[5,6a]S[5])2(CC[6a]2O){1|C<3>,2|C<4>,2|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]I)(S[5]C[5]){1|C<3>,1|S<2>,3|C<4>}	120.8390	1.857	6	120.8390	3.449	6	120.8390	3.449	6	121.3267	4.133	64	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:O-4:	C[6a,6a]-3:C[5,6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]O)(S[5]S[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a,6a]O)(OLi3)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5])(N[5]S[5])	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]O)(S[5]S[5]){1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a,6a]O)(OLi3){1|N<2>,1|S<2>,2|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5])(N[5]S[5]){1|H<1>,1|O<4>,3|C<3>}	123.6300	0.000	1	123.6300	0.000	1	123.6300	0.000	1	121.3267	4.133	64	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)(N[5]C[5,6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC3)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)(N[5]C[5,6a]){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC3){1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<4>,4|C<3>}	122.1150	0.000	1	122.1150	0.000	1	122.1150	0.000	1	122.4068	5.683	45	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6,6a]-3:C-4:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6,6a]C)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(CH3)	C[5,6a](C[5,6a]C[6a]O[5])(N[5,5]C[5,5]C[5])(C[6a]C[6,6a]C)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6,6a]C)(O[5]C[5,5]){1|C<3>,1|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(CH3){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5,5]C[5,5]C[5])(C[6a]C[6,6a]C){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	123.7100	0.000	1	123.7100	0.000	1	123.7100	0.000	1	122.4068	5.683	45	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(CH3)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5,5]){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]C){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	124.6630	0.000	1	124.6630	0.000	1	124.7245	0.008	2	122.4068	5.683	45	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5,5]){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]C){1|C<3>,1|H<1>,3|C<4>}	124.7860	0.000	1	124.7860	0.000	1	124.7245	0.008	2	122.4068	5.683	45	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]C[5,5]){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3){1|C<3>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,2|C<4>,2|O<2>}	123.7760	0.000	1	123.7760	0.000	1	123.5355	4.078	10	122.4068	5.683	45	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]C[5]){1|Co<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3){1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Co){2|C<3>,2|C<4>}	124.2215	0.764	4	124.2215	0.583	4	123.5355	4.078	10	122.4068	5.683	45	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]C[5]){1|Cu<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3){1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Cu){2|C<3>,2|C<4>}	124.8280	0.000	1	124.8280	0.000	1	123.5355	4.078	10	122.4068	5.683	45	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3){1|C<3>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,4|C<4>}	123.2030	0.000	1	123.2030	0.000	1	123.5355	4.078	10	122.4068	5.683	45	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]C[5]){1|Ni<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3){1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ni){2|C<3>,2|C<4>}	124.3035	0.134	2	124.3035	0.018	2	123.5355	4.078	10	122.4068	5.683	45	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]Ga[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]Ga[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]Ga[5]){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3){1|Ga<4>,1|C<3>,1|C<4>,1|N<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]Ga[5]C){1|C<3>,4|C<4>}	118.0550	0.000	1	118.0550	0.000	1	123.5355	4.078	10	122.4068	5.683	45	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]Ga[3x5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3)	C[5,6a](C[5,6a]C[6a]O[5])(N[5]Ga[3x5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]Ga[3x5]){2|C<3>,2|H<1>,2|N<3>,2|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3){1|Ga<6>,1|C<3>,1|C<4>,1|N<3>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5]Ga[3x5]C[6a])(C[6a]C[6a]H){2|C<4>,2|N<3>,2|O<2>,3|C<3>}	119.7130	0.137	3	119.7130	0.019	3	119.2437	0.313	11	122.4068	5.683	45	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]Ga[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3)	C[5,6a](C[5,6a]C[6a]O[5])(N[5]Ga[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]Ga[5,5]){1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3){1|Ga<5>,1|C<3>,1|C<4>,1|N<3>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5]Ga[5,5]C[6a])(C[6a]C[6a]H){1|N<2>,1|N<3>,1|O<2>,2|C<4>,3|C<3>}	119.4878	0.234	4	119.4878	0.055	4	119.2437	0.313	11	122.4068	5.683	45	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]In[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3)	C[5,6a](C[5,6a]C[6a]O[5])(N[5]C[6a]In[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]In[5]){1|I<1>,1|N<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3){1|In<4>,1|C<3>,1|C<4>,1|N<3>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5]C[6a]In[5])(C[6a]C[6a]H){1|I<1>,1|N<4>,2|C<4>,3|C<3>}	119.1610	0.000	1	118.6478	0.202	4	119.2437	0.313	11	122.4068	5.683	45	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]In[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3)	C[5,6a](C[5,6a]C[6a]O[5])(N[5]C[6a]In[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]In[5]){2|C<3>,2|H<1>,2|I<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3){1|In<4>,1|C<3>,1|C<4>,1|N<3>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5]C[6a]In[5])(C[6a]C[6a]H){2|C<4>,2|I<1>,3|C<3>}	118.8890	0.000	1	118.6478	0.202	4	119.2437	0.313	11	122.4068	5.683	45	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]In[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3)	C[5,6a](C[5,6a]C[6a]O[5])(N[5]C[6a]In[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]In[5]){2|Cl<1>,1|N<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3){1|In<5>,1|C<3>,1|C<4>,1|N<3>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5]C[6a]In[5])(C[6a]C[6a]H){2|Cl<1>,1|N<4>,2|C<4>,3|C<3>}	118.2510	0.000	1	118.6478	0.202	4	119.2437	0.313	11	122.4068	5.683	45	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]In[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3)	C[5,6a](C[5,6a]C[6a]O[5])(N[5]C[6a]In[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]In[5]){2|Cl<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3){1|In<4>,1|C<3>,1|C<4>,1|N<3>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5]C[6a]In[5])(C[6a]C[6a]H){2|Cl<1>,2|C<4>,3|C<3>}	118.2900	0.000	1	118.6478	0.202	4	119.2437	0.313	11	122.4068	5.683	45	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:O[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]B[5,5a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3)	C[5,6a](C[5,6a]C[6a]O[5])(O[5]B[5,5a]Ag)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]B[5,5a]){1|Ag<4>,1|C<3>,2|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3){1|B<4>,1|C<3>,1|C<4>,1|O<3>}	C[5,6a](C[5,6a]C[6a]O[5])(O[5]B[5,5a]Ag)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<2>}	121.8050	0.000	1	121.8050	0.000	1	121.8050	0.000	1	122.4068	5.683	45	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]C)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6,6a]H)(CH3)	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]C)(O[5]C[5]){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6,6a]H)(CH3){1|C<4>,3|C<3>}	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(C[5]C[5]O){1|O<1>,3|C<3>,3|C<4>}	124.1900	0.000	1	124.1900	0.000	1	124.8485	1.358	6	122.4068	5.683	45	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]C)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6,6a]O)(CH3)	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6,6a]O)(CH3){1|C<4>,3|C<3>}	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(C[5]C[5]O){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	124.9802	1.252	5	124.9802	1.567	5	124.8485	1.358	6	122.4068	5.683	45	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]C)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]O)(CH3)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]O)(CH3){1|C<4>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]O){2|C<4>,2|O<2>,3|C<3>}	124.0023	0.775	4	124.0023	0.600	4	124.0023	0.600	4	122.4068	5.683	45	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]C)(O[5]Nb[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3)	C[5,6a](N[5,5]C[5,6a]Nb[5,5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]C)(O[5]Nb[5,5]){2|Cl<1>,1|O<2>,1|O<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3){1|Nb<6>,1|C<3>,1|C<4>,1|N<3>}	C[5,6a](N[5,5]C[5,6a]Nb[5,5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){2|Cl<1>,1|O<2>,1|O<3>,2|C<4>,3|C<3>}	123.6550	0.154	2	123.4253	0.170	3	122.4662	1.810	5	122.4068	5.683	45	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]C)(O[5]Nb[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3)	C[5,6a](N[5,5]C[5,6a]Nb[5,5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]C)(O[5]Nb[5,5]){3|Cl<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3){1|Nb<6>,1|C<3>,1|C<4>,1|N<3>}	C[5,6a](N[5,5]C[5,6a]Nb[5,5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){3|Cl<1>,1|O<2>,2|C<4>,3|C<3>}	122.9660	0.000	1	123.4253	0.170	3	122.4662	1.810	5	122.4068	5.683	45	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]C)(O[5]Si[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3)	C[5,6a](N[5,5]C[5,6a]Si[5,5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]C)(O[5]Si[5,5]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3){1|Si<5>,1|C<3>,1|C<4>,1|N<3>}	C[5,6a](N[5,5]C[5,6a]Si[5,5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,4|C<4>}	121.0275	0.015	2	121.0275	0.000	2	122.4662	1.810	5	122.4068	5.683	45	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:P[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(P[5]N[5])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CHHN)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(P[5]N[5]){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CHHN){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	119.0060	0.000	1	119.0060	0.000	1	119.0060	0.000	1	122.4068	5.683	45	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])2(CH3)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(S[5]C[5]){1|H<1>,1|O<1>,1|S<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])2(CH3){5|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]H)(C[5]C[5]O){1|C<4>,3|C<3>}	123.0015	0.169	2	123.0015	0.029	2	123.0015	0.029	2	122.4068	5.683	45	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(Se[5]N[5])	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(Se[5]N[5]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(CH3){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|H<1>,2|C<4>}	121.7510	0.000	1	121.7510	0.000	1	121.7510	0.000	1	122.4068	5.683	45	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])2(CN[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(O[5]C[5]){1|C<3>,1|O<2>,5|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])2(CN[5]HH){1|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]HH){1|C<3>,2|C<4>,2|H<1>}	124.9385	0.062	2	124.9385	0.004	2	124.9385	0.004	2	123.3460	4.021	9	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6a]O)(CCHH)	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]O[5])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6a]O)(CCHH){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]O[5])(C[5]C[5]HH){1|O<1>,2|C<3>,2|C<4>}	126.3640	0.000	1	126.3640	0.000	1	126.3640	0.000	1	123.3460	4.021	9	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|O<1>,2|C<4>}	124.3300	0.000	1	124.3300	0.000	1	124.2615	0.009	2	123.3460	4.021	9	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]N)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]N)(C[5]C[5]HH){1|C<3>,2|C<4>,2|H<1>}	124.1930	0.000	1	124.1930	0.000	1	124.2615	0.009	2	123.3460	4.021	9	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(S[5]O[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CCCO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(S[5]O[5]){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CCCO){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>}	121.4230	0.296	2	121.4230	0.087	2	121.4230	0.087	2	123.3460	4.021	9	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(Se[5]O[5])	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(CCCO)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(Se[5]O[5]){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(CCCO){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>}	121.2520	0.204	2	121.2520	0.041	2	121.2520	0.041	2	123.3460	4.021	9	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(CH3)	C[5,6a](C[5,6a]C[6a]O[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]C){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	126.1840	0.000	1	126.1840	0.000	1	126.1840	0.000	1	123.9938	1.785	6	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5,5]){3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){2|C<4>,3|C<3>}	123.4560	0.000	1	123.4560	0.000	1	124.0967	0.440	3	123.9938	1.785	6	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(CH3)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5,6]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(CH3){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]C){2|C<4>,3|C<3>}	124.7810	0.000	1	124.7810	0.000	1	124.0967	0.440	3	123.9938	1.785	6	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]O[6a]C)(CH3)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]O[6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5,6]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]O[6a]C)(CH3){1|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]O[6a]O){2|C<3>,2|C<4>}	124.0530	0.000	1	124.0530	0.000	1	124.0967	0.440	3	123.9938	1.785	6	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:N[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3)	C[5,6a](C[5,6a]C[6a]O[5])(N[5]C[5]CdH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]C[5]){1|Cd<4>,1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3){1|C<3>,1|N<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5]C[5]CdH)(C[6a]C[6a]H){2|C<3>,3|C<4>}	122.5300	0.000	1	122.5300	0.000	1	122.5300	0.000	1	123.9938	1.785	6	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]C)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3)	C[5,6a](C[5,6a]C[6a]O[5])(Si[5]C[5,5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]C)(O[5]C[5,5]){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3){1|Si<4>,1|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(Si[5]C[5,5]CC)(C[6a]C[6a]H){2|C<4>,3|C<3>}	122.9590	0.000	1	122.9590	0.000	1	122.9590	0.000	1	123.9938	1.785	6	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(CH3)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(O[5]C[5,5]){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(CH3){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	124.0080	0.000	1	124.0080	0.000	1	124.0080	0.000	1	122.5888	0.554	12	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:P-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]P)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(PC[6a]2Pd)	C[5,6a](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]P)(O[5]C[5,5]){1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(PC[6a]2Pd){1|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,1|P<4>,3|C<3>}	123.2170	0.222	2	123.2170	0.049	2	122.8610	0.089	6	122.5888	0.554	12	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:P-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]P)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(PC[6a]2Rh)	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]P)(O[5]C[5,5]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(PC[6a]2Rh){1|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<2>,1|P<4>,2|C<4>,3|C<3>}	122.6830	0.077	4	122.6830	0.006	4	122.8610	0.089	6	122.5888	0.554	12	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:S-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]S)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(SNOO)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]S)(O[5]C[5,6]){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(SNOO){1|Br<1>,1|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|Br<1>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	121.0430	0.000	1	121.4860	0.392	2	121.4860	0.392	2	122.5888	0.554	12	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:S-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]S)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(SNOO)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]S)(O[5]C[5,6]){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(SNOO){1|Br<1>,1|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|Br<1>,1|S<4>,2|H<1>,4|C<3>}	121.9290	0.000	1	121.4860	0.392	2	121.4860	0.392	2	122.5888	0.554	12	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(S[5]C[5,5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,5]C[5,5]C[5]Fe)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(S[5]C[5,5]){1|Fe<10>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]Fe)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	122.4135	0.237	2	122.4135	0.056	2	122.4135	0.056	2	122.5888	0.554	12	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C)(S[5]C[5,6])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C)(S[5]C[5,6]){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	122.0920	0.000	1	122.0920	0.000	1	122.0920	0.000	1	122.5888	0.554	12	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:2:1:	3:2:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[6a]-2:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]H)(N[5]C[5]Co)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]H)(N[5]C[5]Co){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(H){1|Co<6>,1|C<3>,1|N<2>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Co<6>,1|N<2>,1|N<3>,2|H<1>}	115.7360	0.000	1	115.7360	0.000	1	116.7742	1.076	5	116.7742	1.076	5	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:2:1:	3:2:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[6a]-2:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]H)(N[5]C[5]Cu)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]H)(N[5]C[5]Cu){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(H){1|Cu<5>,1|C<3>,1|N<2>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Cu<5>,1|N<2>,1|N<3>,2|H<1>}	116.1965	0.388	2	116.1965	0.151	2	116.7742	1.076	5	116.7742	1.076	5	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:2:1:	3:2:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[6a]-2:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]H)(N[5]C[5]Zn)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]H)(N[5]C[5]Zn){1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(H){1|Zn<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|Zn<4>,1|N<2>,3|H<1>}	117.8710	0.037	2	117.8710	0.001	2	116.7742	1.076	5	116.7742	1.076	5	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:2:1:	3:3:2:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:Cl-1:	C[5,6a]-3:N[5]-3:N[6a]-2:	C[5,6a](C[5,6a]N[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]N[6a]Cl)	C[6a](C[5,6a]C[5,6a]N[5,5])(N[6a]C[6a])(Cl)	C[5,6a](C[5,6a]N[5,5]C[6a])(N[5]C[5,5]C)(N[6a]C[6a])	C[5,6a](C[5,6a]N[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]N[6a]Cl){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,5])(N[6a]C[6a])(Cl){1|H<1>,1|N<2>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]N[5,5]C[6a])(N[5]C[5,5]C)(N[6a]C[6a]){1|Cl<1>,1|N<2>,2|C<4>,2|H<1>}	115.0425	0.367	4	115.0425	0.134	4	115.0425	0.134	4	115.0425	0.134	4	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:2:1:	3:3:3:	C[5,6a]-3:As[5]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(As[5]C[5,6a]C[6a])(C[6a]N[6a]H)	C[6a](C[5,6a]C[5,6a]As[5])(N[6a]C[6a])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]As[5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(As[5]C[5,6a]C[6a])(C[6a]N[6a]H){1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]As[5])(N[6a]C[6a])(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]As[5]C[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	118.2055	0.322	2	118.2055	0.104	2	118.2055	0.104	2	119.8894	3.220	10	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:2:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]N[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H){1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	120.2500	0.000	1	120.2500	0.000	1	120.2500	0.000	1	119.8894	3.220	10	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:2:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]N[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[5a,6a])(H)	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]N[6a]H)(C[5]N[5]O){1|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[5a,6a])(H){1|O<1>,2|C<3>,2|N<3>}	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|N<2>}	121.4530	0.000	1	121.4530	0.000	1	121.4530	0.000	1	119.8894	3.220	10	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:2:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]N[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]N[6a]H)(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(H){1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	120.4120	0.000	1	120.4120	0.000	1	120.4120	0.000	1	119.8894	3.220	10	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:2:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:O[6a]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]O[6a]O)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]O[6a]O)(C[5]C[5]H){4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a])(O){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	121.4445	0.021	2	121.4445	0.000	2	121.4445	0.000	2	119.8894	3.220	10	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:2:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:O[6a]-2:O-1:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]O[6a]O)(C[5]N[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a,6a])(O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[6]N[5])	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]O[6a]O)(C[5]N[5]C){1|Pd<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a,6a])(O){1|C<4>,2|C<3>,2|N<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[6]N[5]){1|Pd<4>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	122.1160	0.000	1	122.1160	0.000	1	122.1160	0.000	1	119.8894	3.220	10	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:2:1:	3:3:3:	C[5,6a]-3:P[5]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a])(C[6a]N[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(N[6a]C[6a])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a])(C[6a]N[6a]H){1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(N[6a]C[6a])(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	117.6815	0.902	2	117.6815	0.813	2	117.6815	0.813	2	119.8894	3.220	10	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:2:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[6a]-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]H)(C[5]C[5]O){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H){1|O<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|H<1>,1|N<2>,1|O<1>,2|C<4>}	120.3380	0.000	1	120.3380	0.000	1	120.3380	0.000	1	120.3380	0.000	1	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:2:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[6a]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]H)(C[5]N[5]O){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,3|H<1>}	119.7600	0.000	1	119.7600	0.000	1	119.7600	0.000	1	119.7600	0.000	1	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:2:2:	3:2:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[6a]-2:O-2:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Zn)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(OZn)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Zn){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(OZn){1|Zn<4>,1|C<3>,1|N<3>,2|N<2>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Zn<4>,1|H<1>,1|O<2>,2|N<2>}	118.8750	0.000	1	118.8750	0.000	1	118.8750	0.000	1	119.9366	0.785	8	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:2:2:	3:2:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[6a]-2:S-2:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]S)(N[5]C[5]Ag)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(SAg)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]S)(N[5]C[5]Ag){1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(SAg){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|Ag<4>,1|N<2>,1|S<2>,2|H<1>}	119.5710	0.000	1	119.5710	0.000	1	120.0883	0.701	7	119.9366	0.785	8	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:2:2:	3:2:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[6a]-2:S-2:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]S)(N[5]C[5]Co)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(SCo)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]S)(N[5]C[5]Co){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(SCo){1|C<3>,1|N<2>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2){1|Co<6>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,1|S<2>,2|H<1>}	119.8105	0.175	4	119.8105	0.031	4	120.0883	0.701	7	119.9366	0.785	8	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:2:2:	3:2:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[6a]-2:S-2:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]S)(N[5]C[5]Cu)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(SCu)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]S)(N[5]C[5]Cu){1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(SCu){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|Cu<4>,1|N<2>,1|S<2>,2|H<1>}	119.8510	0.000	1	119.8510	0.000	1	120.0883	0.701	7	119.9366	0.785	8	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:2:2:	3:2:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[6a]-2:S-2:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]S)(N[5]C[5]Ru)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(SRu)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]S)(N[5]C[5]Ru){1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(SRu){1|C<3>,1|N<3>,2|N<2>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|Ru<9>,1|H<1>,1|S<2>,2|N<2>}	121.9540	0.000	1	121.9540	0.000	1	120.0883	0.701	7	119.9366	0.785	8	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:2:2:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[6a]-2:S-2:	C[5,6a]-3:N[5]-3:N[6a]-2:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]S)(N[5]C[5]Co)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(SCo)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]Co)(N[6a]C[6a])	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]S)(N[5]C[5]Co){1|Co<6>,1|C<3>,1|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(SCo){1|C<3>,1|N<2>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]Co)(N[6a]C[6a]){1|Co<6>,1|H<1>,1|N<2>,1|N<3>,1|S<2>}	120.9140	0.245	2	120.9140	0.060	2	120.9140	0.060	2	120.9140	0.060	2	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:2:2:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:S-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]S)	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(SC)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]S)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]S){1|C<4>,1|N<2>,1|S<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(SC){4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]S){1|C<4>,1|N<2>,1|S<2>,3|C<3>}	116.2330	0.346	2	116.6427	0.564	3	116.6427	0.564	3	117.4200	2.793	4	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:2:2:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:S-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]S)	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(SC)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]S)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]S){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(SC){4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]S){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	117.4620	0.000	1	116.6427	0.564	3	116.6427	0.564	3	117.4200	2.793	4	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:2:2:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[6a]-2:N-2:	C[5,6a]-3:N[6a]-3:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NH)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H){1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NH){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,2|N<2>}	119.7520	0.000	1	119.7520	0.000	1	119.7520	0.000	1	117.4200	2.793	4	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:2:2:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[6a]-2:O-2:	C[5a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]N[6a]O)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[5a,6a])(OH)	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]N[6a]O)(C[5]C[5]O){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[5a,6a])(OH){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|N<2>,3|C<3>}	121.6800	0.000	1	121.6800	0.000	1	121.6800	0.000	1	121.6800	0.000	1	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:2:2:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[6a]-2:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]O)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]O[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]O)(C[5]O[5]O){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]O[5]C)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|H<1>,2|O<2>}	119.2040	0.000	1	119.2040	0.000	1	119.2040	0.000	1	119.2040	0.000	1	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:2:3:	3:2:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[6a]-2:N-3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]Co)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]Co){1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH){1|Co<6>,1|C<3>,1|N<2>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|Co<6>,1|H<1>,1|N<2>,2|N<3>}	117.0270	0.000	1	117.0270	0.000	1	117.4763	1.159	14	117.5351	1.279	16	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:2:3:	3:2:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[6a]-2:N-3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NCH)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H){1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NCH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|N<2>,1|N<3>,3|H<1>}	117.9643	0.842	3	117.9643	0.710	3	117.4763	1.159	14	117.5351	1.279	16	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:2:3:	3:2:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[6a]-2:N-3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H){1|Ir<8>,1|C<3>,1|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Ir<8>,1|N<2>,1|N<3>,2|H<1>}	117.3700	0.000	1	117.3700	0.000	1	117.4763	1.159	14	117.5351	1.279	16	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:2:3:	3:2:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[6a]-2:N-3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]Ir)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]Ir){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH){1|Ir<8>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Ir<8>,1|N<2>,1|N<3>,2|H<1>}	116.4650	0.000	1	116.4650	0.000	1	117.4763	1.159	14	117.5351	1.279	16	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:2:3:	3:2:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[6a]-2:N-3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]Os)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]Os){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH){1|Os<9>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Os<9>,1|N<2>,1|N<3>,2|H<1>}	116.7930	0.000	1	116.7930	0.000	1	117.4763	1.159	14	117.5351	1.279	16	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:2:3:	3:2:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[6a]-2:N-3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]Pt)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NCH)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]Pt){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NCH){1|Cl<1>,1|Pt<4>,1|C<3>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Cl<1>,1|Pt<4>,1|H<1>,1|N<2>,1|N<3>}	116.6595	0.360	2	116.6595	0.130	2	117.4763	1.159	14	117.5351	1.279	16	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:2:3:	3:2:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[6a]-2:N-3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]Pt)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]Pt){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH){1|Pt<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2){1|Pt<4>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	120.1730	0.000	1	120.1730	0.000	1	117.4763	1.159	14	117.5351	1.279	16	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:2:3:	3:2:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[6a]-2:N-3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]Pt)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]Pt){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH){1|Pt<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Pt<4>,1|N<2>,1|N<3>,2|H<1>}	118.2700	0.000	1	118.2700	0.000	1	117.4763	1.159	14	117.5351	1.279	16	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:2:3:	3:2:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[6a]-2:N-3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]Rh)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NCH)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]Rh){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NCH){1|Rh<8>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2){1|Rh<8>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	117.4320	0.948	2	117.4320	0.898	2	117.4763	1.159	14	117.5351	1.279	16	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:2:3:	3:2:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[6a]-2:N-3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]Ru)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]Ru){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH){1|Ru<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Ru<6>,1|N<2>,1|N<3>,2|H<1>}	116.4940	0.000	1	116.4940	0.000	1	117.4763	1.159	14	117.5351	1.279	16	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:2:3:	3:2:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N[5])(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(N[5]C[5]2)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N[5])(N[5]C[5]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(N[5]C[5]2){1|C<3>,1|N<2>,1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|N<2>,1|N<3>,3|H<1>}	116.5810	0.000	1	116.5810	0.000	1	116.5810	0.000	1	117.5351	1.279	16	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:2:3:	3:2:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[6a]-2:S-3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]S)(N[5]C[5]Cu)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(SCu2)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]S)(N[5]C[5]Cu){1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(SCu2){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|Cu<4>,1|N<2>,1|S<3>,2|H<1>}	119.3120	0.000	1	119.3120	0.000	1	119.3120	0.000	1	117.5351	1.279	16	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:2:3:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[6a]-2:N-3:	C[5,6a]-3:N[5]-3:N[6a]-2:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]Zn)(N[6a]C[6a])	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]C){1|Zn<4>,1|C<3>,1|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]Zn)(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	118.5590	0.000	1	118.5590	0.000	1	118.4740	0.032	5	118.4740	0.032	5	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:2:3:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[6a]-2:N-3:	C[5,6a]-3:N[5]-3:N[6a]-2:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]Co)(N[6a]C[6a])	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H){1|Co<6>,1|C<3>,1|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]Co)(N[6a]C[6a]){1|N<2>,1|N<3>,3|H<1>}	118.4528	0.198	4	118.4528	0.039	4	118.4740	0.032	5	118.4740	0.032	5	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:2:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:C-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]C)	C[6a](C[5,6a]C[5,6a]2)(N[6a]C[6a])(COO)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]C){1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(N[6a]C[6a])(COO){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,6|C<3>}	118.4220	0.000	1	118.4220	0.000	1	117.0627	0.743	9	118.4580	2.926	17	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:2:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:C-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]C)	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(CNO)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]C)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]C){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(CNO){4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]C){1|H<1>,1|N<2>,4|C<3>}	117.1125	1.053	4	117.1125	1.109	4	117.0627	0.743	9	118.4580	2.926	17	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:2:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:C-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]C)	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(COO)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]C)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]C){1|C<4>,1|N<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(COO){4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]C){1|C<4>,1|N<2>,4|C<3>}	116.3800	0.000	1	116.6730	0.050	4	117.0627	0.743	9	118.4580	2.926	17	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:2:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:C-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]C)	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(COO)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]C)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]C){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(COO){4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]C){1|H<1>,1|N<2>,4|C<3>}	116.7707	0.134	3	116.6730	0.050	4	117.0627	0.743	9	118.4580	2.926	17	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:2:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]O)(C[6a]N[6a]N)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(NHH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]O)(C[6a]N[6a]N){4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(NHH){1|O<1>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5]){1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	120.7810	0.000	1	120.7810	0.000	1	120.7810	0.000	1	118.4580	2.926	17	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:2:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(C[5]N[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(C[5]N[5]N){1|O<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|N<2>,1|N<3>,2|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|H<1>,2|N<2>,4|C<3>}	118.9440	0.000	1	118.9440	0.000	1	119.7132	0.305	5	118.4580	2.926	17	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:2:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(C[5]N[5]O){1|O<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	120.3310	0.000	1	120.0647	0.088	3	119.7132	0.305	5	118.4580	2.926	17	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:2:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(C[5]N[5]O){1|O<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	119.9315	0.262	2	120.0647	0.088	3	119.7132	0.305	5	118.4580	2.926	17	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:2:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(C[5]N[5]S)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(C[5]N[5]S){1|O<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|N<3>,1|S<1>,2|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|H<1>,1|N<2>,1|S<1>,4|C<3>}	119.4280	0.000	1	119.4280	0.000	1	119.7132	0.305	5	118.4580	2.926	17	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:2:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[6a]-2:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]N)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(NC[6]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]N)(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(NC[6]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	121.1510	0.000	1	121.1510	0.000	1	120.4375	1.018	2	118.4580	2.926	17	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:2:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[6a]-2:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]N)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(NHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]N)(C[5]N[5]O){1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(NHH){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O){1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	119.7240	0.000	1	119.7240	0.000	1	120.4375	1.018	2	118.4580	2.926	17	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:2:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])	C[6a](C[5,6a]C[5,6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a]){1|H<1>,1|O<2>,7|C<3>}	C[6a](C[5,6a]C[5,6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O){1|H<1>,1|N<2>,7|C<3>}	119.8520	0.000	1	119.8520	0.000	1	119.8520	0.000	1	119.8520	0.000	1	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:2:4:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]C)	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(CC[6a]HH)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]C)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]C){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(CC[6a]HH){4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]C){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	118.1110	0.195	2	118.1110	0.038	2	118.1950	0.131	4	119.4956	1.572	11	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:2:4:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]C)	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(CH3)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]C)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]C){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(CH3){4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]C){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	118.2790	0.573	2	118.2790	0.328	2	118.1950	0.131	4	119.4956	1.572	11	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:2:4:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]N[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(CC3)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]N[6a]C){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(CC3){1|C<4>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|C<4>}	118.8290	0.000	1	118.8290	0.000	1	118.8290	0.000	1	119.4956	1.572	11	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:2:4:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:O[6a]-2:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]O[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a])(CC3)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]O[6a]C){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a])(CC3){2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	119.7280	0.000	1	119.7280	0.000	1	120.4155	0.210	4	119.4956	1.572	11	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:2:4:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:O[6a]-2:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]O[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a])(CCHH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]O[6a]C){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a])(CCHH){2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	120.6447	0.023	3	120.6447	0.001	3	120.4155	0.210	4	119.4956	1.572	11	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:2:4:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]N[6a]C)(C[5]N[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(CH3)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]N[6a]C)(C[5]N[5]C){1|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(CH3){1|N<3>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	119.6680	0.000	1	119.6680	0.000	1	120.5905	1.702	2	119.4956	1.572	11	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:2:4:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]N[6a]C)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(CH3)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]N[6a]C)(C[5]N[5]O){1|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(CH3){1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	121.5130	0.000	1	121.5130	0.000	1	120.5905	1.702	2	119.4956	1.572	11	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:2:2:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-2:N[6a]-2:	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]N[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5]C[5,6])(N[6a]C[6a])	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]N[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5]C[5,6])(N[6a]C[6a]){1|C<3>,2|C<4>,2|H<1>}	116.9310	0.000	1	116.9310	0.000	1	116.9310	0.000	1	116.9310	0.000	1	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:2:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a](C[5,5]P[5,5,6]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(O[5]P[5,5,6])(C[6a]C[6a]H)	C[5,6a](C[5,5]P[5,5,6]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|Cl<1>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|P<5>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(O[5]P[5,5,6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.2950	0.000	1	119.2950	0.000	1	119.2950	0.000	1	119.8821	2.670	118	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:2:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Br[5]-2:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Br[5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Br[5]C[5,6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Br[5]C[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Br<2>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Br[5]C[5,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	116.8975	0.062	2	116.8975	0.004	2	116.8975	0.004	2	119.8821	2.670	118	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:2:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Se[5]-2:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Se[5]C[5,6a])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Se<2>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Se[5]C[5,6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	118.8040	0.163	2	118.8040	0.026	2	118.9498	1.587	9	119.8821	2.670	118	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:2:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Se[5]-2:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Se[5]C[5,6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Se<2>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Se[5]C[5,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	117.5495	0.234	2	117.8560	0.178	4	118.9498	1.587	9	119.8821	2.670	118	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:2:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Se[5]-2:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Se[5]C[5,6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Se<2>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Se[5]C[5,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.1625	0.322	2	117.8560	0.178	4	118.9498	1.587	9	119.8821	2.670	118	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:2:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Se[5]-2:C[6a]-3:	C[5,6a](C[5,6a]N[5,6a]N[6a])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Se[5]N[5,6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6a]N[6a])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Se[5]N[5,6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	120.5053	0.155	3	120.5053	0.024	3	118.9498	1.587	9	119.8821	2.670	118	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:2:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[5]C[5]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]N[5]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[5]C[5]N[5])(C[6a]C[6a]H){1|Br<1>,1|Os<9>,1|C<3>,1|H<1>,2|N<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]N[5]H){1|Os<9>,2|C<3>,2|H<1>}	118.0440	0.000	1	118.0440	0.000	1	117.8340	0.088	2	119.8821	2.670	118	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:2:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[5]C[5]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]N[5]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[5]C[5]N[5])(C[6a]C[6a]H){1|Ru<6>,1|C<3>,2|H<1>,2|N<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]N[5]H){1|Ru<6>,2|C<3>,2|H<1>}	117.6240	0.000	1	117.6240	0.000	1	117.8340	0.088	2	119.8821	2.670	118	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:2:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(C[5]N[5]O)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(C[5]N[5]O){1|C<4>,2|C<3>,2|H<1>}	118.0093	0.406	3	118.0093	0.165	3	119.4703	5.402	6	119.8821	2.670	118	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:2:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(C[5]N[5]O)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	121.7870	3.079	2	120.9313	6.936	3	119.4703	5.402	6	119.8821	2.670	118	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:2:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(C[5]N[5]O)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	119.2200	0.000	1	120.9313	6.936	3	119.4703	5.402	6	119.8821	2.670	118	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:2:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C){1|Br<1>,1|H<1>,1|O<1>,2|C<3>}	115.3465	0.005	2	115.3465	0.000	2	117.2430	4.803	4	119.8821	2.670	118	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:2:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	119.2470	0.000	1	119.2470	0.000	1	117.2430	4.803	4	119.8821	2.670	118	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:2:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	119.0320	0.000	1	119.0320	0.000	1	117.2430	4.803	4	119.8821	2.670	118	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:2:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O-1:	C[5,6a]-3:O[6a]-2:C[5]-3:	C[5,6a](C[5,6a]O[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(O)	C[5,6a](C[5,6a]C[6a]C[5])(O[6a]C[6a])(C[5]N[5]O)	C[5,6a](C[5,6a]O[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]O){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(O){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(O[6a]C[6a])(C[5]N[5]O){1|H<1>,2|C<3>,2|O<1>}	121.3365	0.494	2	121.3365	0.244	2	121.3365	0.244	2	119.8821	2.670	118	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:2:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]O)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]N){1|O<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]O){1|H<1>,1|N<3>,3|C<3>}	118.6960	0.000	1	118.6960	0.000	1	119.4743	0.494	3	119.8821	2.670	118	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:2:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]N[5])	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]O){1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]N[5]){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	120.0630	0.000	1	120.0630	0.000	1	119.4743	0.494	3	119.8821	2.670	118	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:2:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]N[5]C)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|H<1>,1|O<2>,2|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]N[5]C){1|H<1>,1|O<2>,2|C<3>}	119.6640	0.000	1	119.6640	0.000	1	119.4743	0.494	3	119.8821	2.670	118	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:2:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	119.2800	0.000	1	119.2800	0.000	1	119.2800	0.000	1	119.8821	2.670	118	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:2:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[6a]-3:Cl-1:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]N[6a]Cl)(N[5]N[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(C[5]N[5]C)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]N[6a]Cl)(N[5]N[5]C){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(Cl){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(C[5]N[5]C){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	120.5080	0.000	1	120.5080	0.000	1	120.5080	0.000	1	119.8821	2.670	118	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:2:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|Pt<4>,1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2){1|Pt<4>,1|H<1>,1|O<1>,1|O<2>,2|C<4>,2|N<3>}	121.0020	0.000	1	121.0020	0.000	1	119.8423	1.807	63	119.8821	2.670	118	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:2:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	121.2720	0.000	1	121.2720	0.000	1	119.8423	1.807	63	119.8821	2.670	118	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:2:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|C<4>,1|H<1>,1|O<1>,2|N<3>}	120.1826	0.373	5	120.1826	0.139	5	119.8423	1.807	63	119.8821	2.670	118	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:2:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]Pt)(O)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|Pt<4>,1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]Pt)(O){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,2|N<3>}	118.3360	1.052	2	118.3360	1.107	2	119.8423	1.807	63	119.8821	2.670	118	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:2:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|C<3>,1|C<4>,1|H<1>,1|S<1>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,1|S<1>,2|H<1>,2|N<3>}	121.5640	0.000	1	121.5640	0.000	1	119.8423	1.807	63	119.8821	2.670	118	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:2:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|O<1>,2|H<1>,2|N<3>}	120.5080	0.420	6	120.5117	0.213	12	119.8423	1.807	63	119.8821	2.670	118	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:2:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|N<3>,1|O<1>,3|H<1>}	120.6188	0.534	5	120.5117	0.213	12	119.8423	1.807	63	119.8821	2.670	118	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:2:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|Ru<6>,1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Ru<6>,1|H<1>,1|O<1>,2|N<3>}	119.9980	0.000	1	120.5117	0.213	12	119.8423	1.807	63	119.8821	2.670	118	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:2:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|O<1>,2|H<1>,2|N<3>}	120.3111	0.759	7	120.5787	0.425	12	119.8423	1.807	63	119.8821	2.670	118	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:2:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|N<3>,1|O<1>,3|H<1>}	120.9534	0.055	5	120.5787	0.425	12	119.8423	1.807	63	119.8821	2.670	118	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:2:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Os)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Os){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|Os<9>,1|C<3>,1|N<2>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Os<9>,1|H<1>,1|O<1>,2|N<3>}	119.0630	0.000	1	119.0630	0.000	1	119.8423	1.807	63	119.8821	2.670	118	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:2:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Pd)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Pd){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|Pd<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2){1|Pd<4>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	120.3240	0.979	2	120.3240	0.958	2	119.8423	1.807	63	119.8821	2.670	118	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:2:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Pt)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Pt){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|Pt<4>,1|C<3>,1|N<2>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2){1|Pt<4>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,2|N<3>}	120.0073	1.096	3	120.0073	1.201	3	119.8423	1.807	63	119.8821	2.670	118	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:2:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Pt)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Pt){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|Pt<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Pt<4>,1|N<3>,1|O<1>,2|H<1>}	120.6936	1.014	5	119.3671	3.012	16	119.8423	1.807	63	119.8821	2.670	118	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:2:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Pt)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Pt){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|Pt<4>,1|C<3>,1|N<2>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Pt<4>,1|H<1>,1|O<1>,2|N<3>}	118.7641	1.681	11	119.3671	3.012	16	119.8423	1.807	63	119.8821	2.670	118	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:2:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Re)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Re){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|Re<6>,1|C<3>,1|N<2>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Re<6>,1|H<1>,1|O<1>,2|N<3>}	117.4875	0.779	2	117.4875	0.606	2	119.8423	1.807	63	119.8821	2.670	118	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:2:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Rh)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Rh){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|Rh<5>,1|C<3>,1|N<2>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Rh<5>,1|H<1>,1|O<1>,2|N<3>}	118.0680	0.000	1	118.0680	0.000	1	119.8423	1.807	63	119.8821	2.670	118	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:2:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Ru)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Ru){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|Ru<6>,1|C<3>,1|N<2>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Ru<6>,1|H<1>,1|O<1>,2|N<3>}	118.8030	0.000	1	118.1130	0.620	3	119.8423	1.807	63	119.8821	2.670	118	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:2:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Ru)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Ru){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|Ru<6>,1|C<3>,1|N<3>,2|N<2>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Ru<6>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	117.2550	0.000	1	118.1130	0.620	3	119.8423	1.807	63	119.8821	2.670	118	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:2:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Ru)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Ru){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|Ru<9>,1|C<3>,1|N<2>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Ru<9>,1|H<1>,1|O<1>,2|N<3>}	118.2810	0.000	1	118.1130	0.620	3	119.8423	1.807	63	119.8821	2.670	118	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:2:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Zn)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Zn){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|Zn<4>,1|C<3>,1|N<2>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Zn<4>,1|H<1>,1|O<1>,2|N<3>}	118.5710	0.000	1	118.5710	0.000	1	119.8423	1.807	63	119.8821	2.670	118	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:2:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[6a]-3:S-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]S)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(S)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]S)(N[5]C[5]H){1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(S){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|N<3>,1|S<1>,3|H<1>}	121.8430	0.000	1	121.8430	0.000	1	121.8430	0.000	1	119.8821	2.670	118	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:2:3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a](N[5,5]Si[4,5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(O[5]Si[4,5,5])(C[6a]C[6a]H)	C[5,6a](N[5,5]Si[4,5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|Si<5>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(O[5]Si[4,5,5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	121.3805	0.262	4	121.3805	0.069	4	121.3805	0.069	4	119.8821	2.670	118	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:2:3:	N[5,6,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a](N[5,6,6]C[5,6,6]C[3x6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]N[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6,6]C[6a])(O[5]C[5,6,6])(C[6a]C[6a]H)	C[5,6a](N[5,6,6]C[5,6,6]C[3x6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]N[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]N[5,6,6]C[6a])(O[5]C[5,6,6])(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	121.0330	0.045	2	120.9180	0.041	3	120.9180	0.041	3	119.8821	2.670	118	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:2:3:	N[5,6,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a](N[5,6,6]C[5,6,6]C[3x6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]N[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6,6]C[6a])(O[5]C[5,6,6])(C[6a]C[6a]H)	C[5,6a](N[5,6,6]C[5,6,6]C[3x6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]N[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]N[5,6,6]C[6a])(O[5]C[5,6,6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	120.6880	0.000	1	120.9180	0.041	3	120.9180	0.041	3	119.8821	2.670	118	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:2:3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a](N[5,6]C[4,5,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(O[5]C[4,5,6])(C[6a]C[6a]H)	C[5,6a](N[5,6]C[4,5,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(O[5]C[4,5,6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	120.9400	0.000	1	120.9400	0.000	1	120.9400	0.000	1	119.8821	2.670	118	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:2:3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-2:C[6a]-3:	C[5,6a](N[5,6]C[4,5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(S[5]C[4,5,6])(C[6a]C[6a]H)	C[5,6a](N[5,6]C[4,5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(S[5]C[4,5,6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	119.9020	0.000	1	119.9020	0.000	1	119.6838	0.123	4	119.8821	2.670	118	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:2:3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-2:C[6a]-3:	C[5,6a](N[5,6]Si[5,6,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(S[5]Si[5,6,6])(C[6a]C[6a]H)	C[5,6a](N[5,6]Si[5,6,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>,3|O<2>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|Si<6>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(S[5]Si[5,6,6])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|O<2>}	119.6110	0.391	3	119.6110	0.152	3	119.6838	0.123	4	119.8821	2.670	118	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:2:3:	N[5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a](N[5]In[4,5,5]C[6a])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(O[5]In[4,5,5])(C[6a]C[6a]C)	C[5,6a](N[5]In[4,5,5]C[6a])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<4>,2|S<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|In<6>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(O[5]In[4,5,5])(C[6a]C[6a]C){1|N<3>,1|O<2>,2|C<3>,2|H<1>,2|S<2>}	119.4555	0.026	2	119.4555	0.001	2	119.4555	0.001	2	119.8821	2.670	118	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:2:3:	S[3,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-2:C[6a]-3:	C[5,6a](S[3,5]Nb[3,3x5]S[3])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]S[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]S[3,5]C[6a])(S[5]Nb[3,3x5])(C[6a]C[6a]H)	C[5,6a](S[3,5]Nb[3,3x5]S[3])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<3>,2|H<1>,4|S<2>}	C[6a](C[5,6a]C[5,6a]S[3,5])(C[6a]C[6a]H)(H){1|Nb<7>,1|C<3>,1|H<1>,2|S<2>}	C[5,6a](C[5,6a]S[3,5]C[6a])(S[5]Nb[3,3x5])(C[6a]C[6a]H){1|C<3>,2|H<1>,5|S<2>}	121.0720	0.000	1	121.0720	0.000	1	121.0720	0.000	1	119.8821	2.670	118	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:2:3:	S[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a](S[5,5]In[4,3x5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]S[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]S[5,5]C[6a])(O[5]In[4,3x5])(C[6a]C[6a]C)	C[5,6a](S[5,5]In[4,3x5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<3>,2|H<1>,2|O<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]S[5,5])(C[6a]C[6a]C)(H){1|In<6>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]S[5,5]C[6a])(O[5]In[4,3x5])(C[6a]C[6a]C){1|C<3>,1|C<4>,1|O<2>,1|S<3>,2|H<1>,2|O<3>}	122.5330	0.147	8	122.5330	0.022	8	122.5330	0.022	8	119.8821	2.670	118	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:2:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:N[6a]-2:C[5]-4:	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]N[5]HH)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]N[5]HH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	119.2620	0.000	1	119.2620	0.000	1	119.2620	0.000	1	119.2620	0.000	1	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a](C[5,5]C[5,5]Si[5])(C[5,6a]C[6a]Se[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]Se[5])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5,6a]H)(Se[5]C[5,5])	C[5,6a](C[5,5]C[5,5]Si[5])(C[5,6a]C[6a]Se[5])(C[6a]C[5,6a]H){1|Se<2>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]Se[5])(H){1|Se<2>,1|Si<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5,6a]H)(Se[5]C[5,5]){1|Si<4>,1|H<1>,3|C<3>}	118.9155	0.320	2	118.9155	0.103	2	118.9155	0.103	2	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,2|C<3>,3|H<1>}	118.8370	0.000	1	118.8370	0.000	1	118.6130	1.495	4	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,5]P[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]P[5,5])	C[5,6a](C[5,5]P[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|Cl<1>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|P<5>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]P[5,5]){2|H<1>,5|C<3>}	119.5700	0.000	1	118.5383	2.208	3	118.6130	1.495	4	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,5]P[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]P[5,5])	C[5,6a](C[5,5]P[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|P<5>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]P[5,5]){2|H<1>,5|C<3>}	118.0225	1.679	2	118.5383	2.208	3	118.6130	1.495	4	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5])	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5]){1|C<4>,2|C<3>,3|H<1>}	119.6200	0.000	1	119.6200	0.000	1	119.6200	0.000	1	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a](C[5,5]C[5,5]Se[5])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(Se[5]C[5,5])	C[5,6a](C[5,5]C[5,5]Se[5])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){2|Se<2>,1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(Se[5]C[5,5]){1|Se<2>,1|C<4>,1|H<1>,2|C<3>}	118.4890	0.403	2	118.6372	0.113	5	118.6372	0.113	5	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a](C[5,5]C[5,5]Se[5])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(Se[5]C[5,5])	C[5,6a](C[5,5]C[5,5]Se[5])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){2|Se<2>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(Se[5]C[5,5]){1|Se<2>,2|C<3>,2|H<1>}	118.7410	0.464	2	118.6372	0.113	5	118.6372	0.113	5	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a](C[5,5]C[5,5]Se[5])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(Se[5]C[5,5])	C[5,6a](C[5,5]C[5,5]Se[5])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){2|Se<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(Se[5]C[5,5]){1|Se<2>,1|H<1>,3|C<3>}	118.7260	0.000	1	118.6372	0.113	5	118.6372	0.113	5	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H)(N[5]C[5,5a])	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H)(N[5]C[5,5a]){1|N<3>,2|C<3>,2|H<1>}	120.8130	0.000	1	120.8130	0.000	1	120.4180	0.312	2	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H)(N[5]C[5,5a])	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H)(N[5]C[5,5a]){1|N<2>,2|C<3>,2|H<1>}	120.0230	0.000	1	120.0230	0.000	1	120.4180	0.312	2	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,2|C<4>,2|H<1>}	119.5210	0.000	1	119.5210	0.000	1	119.2138	0.551	8	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,2|C<4>,2|H<1>}	119.0120	0.000	1	119.0120	0.000	1	119.2138	0.551	8	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<4>,2|C<3>,2|H<1>}	119.2090	0.000	1	119.1962	0.744	6	119.2138	0.551	8	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,2|C<4>,2|H<1>}	119.0530	0.013	2	119.1962	0.744	6	119.2138	0.551	8	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	119.4800	0.000	1	119.1962	0.744	6	119.2138	0.551	8	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|N<3>,2|C<3>,2|H<1>}	120.5320	0.000	1	119.1962	0.744	6	119.2138	0.551	8	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<4>,2|C<3>,2|H<1>}	117.8500	0.000	1	119.1962	0.744	6	119.2138	0.551	8	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<4>,2|H<1>,3|C<3>}	119.9260	0.000	1	119.9260	0.000	1	118.0330	2.309	5	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){2|C<3>,2|C<4>,2|H<1>}	117.5597	1.259	4	117.5597	1.585	4	118.0330	2.309	5	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a](C[5,6]C[5,6]Se[6])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(Se[5]C[5,6])	C[5,6a](C[5,6]C[5,6]Se[6])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H){1|Se<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){2|Se<2>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(Se[5]C[5,6]){1|Se<2>,2|C<3>,2|H<1>}	118.3730	1.141	2	118.3730	1.302	2	118.3730	1.302	2	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a](C[5,6a]C[6a]Se[5])(C[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(Se[5]C[5,5])	C[5,6a](C[5,6a]C[6a]Se[5])(C[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|Se<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|Se<2>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(Se[5]C[5,5]){1|Se<2>,2|C<3>,2|H<1>}	117.0720	0.156	2	117.0720	0.024	2	119.4166	4.821	5	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a](C[5,6a]C[6a]Se[5])(C[5,5]N[5,5]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(Se[5]N[5,5])	C[5,6a](C[5,6a]C[6a]Se[5])(C[5,5]N[5,5]O[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(Se[5]N[5,5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.9797	0.685	3	120.9797	0.469	3	119.4166	4.821	5	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(C[5,6]C[5,6]2)(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){2|C<3>,2|C<4>,2|H<1>}	118.6195	0.165	2	118.6962	0.033	6	118.6962	0.033	6	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(C[5,6]C[5,6]2)(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	118.7345	0.201	4	118.6962	0.033	6	118.6962	0.033	6	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Se[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]Se[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]H)(Se[5]C[5,6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Se[5])(C[6a]C[5,6a]H){1|Se<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]Se[5])(C[5,6a]C[5,6a]2)(H){1|Se<2>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]H)(Se[5]C[5,6a]){1|H<1>,4|C<3>}	119.1260	0.163	2	119.1260	0.026	2	119.1260	0.026	2	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(N[6a]C[6a]){1|N<2>,2|C<3>,2|H<1>}	118.2970	0.321	2	118.2970	0.103	2	118.8946	0.768	5	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6])(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	119.8310	0.205	2	119.8310	0.042	2	118.8946	0.768	5	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(N[6a]C[6a]){1|H<1>,4|C<3>}	118.2170	0.000	1	118.2170	0.000	1	118.8946	0.768	5	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:I[5]-2:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]I[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(I[5]C[5,6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]I[5])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|I<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(I[5]C[5,6a]){2|H<1>,3|C<3>}	116.8379	0.387	10	116.8379	0.150	10	116.8379	0.150	10	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)(N[5]C[5,6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)(N[5]C[5,6a]){2|H<1>,3|C<3>}	121.1680	0.000	1	121.1680	0.000	1	119.8129	1.430	9	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[5])(N[5]C[5,6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[5])(N[5]C[5,6a]){1|N<2>,2|H<1>,4|C<3>}	121.2120	0.014	2	121.2120	0.000	2	119.8129	1.430	9	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[5]C[5,6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[5]C[5,6a]){2|H<1>,3|C<3>}	119.8065	0.153	2	119.8065	0.024	2	119.8129	1.430	9	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]I)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[5]C[5,6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|I<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]I)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[5]C[5,6a]){2|H<1>,3|C<3>}	119.2905	0.548	2	119.2905	0.300	2	119.8129	1.430	9	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(N[5]C[5,6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]H)(H){1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(N[5]C[5,6a]){1|H<1>,1|N<2>,4|C<3>}	118.2650	0.153	2	118.2650	0.023	2	119.8129	1.430	9	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:Se[5]-2:	C[5,6a](C[5,6a]C[6a,6a]Se[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(Se[5]C[5,6a])	C[5,6a](C[5,6a]C[6a,6a]Se[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H){1|Se<2>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(Se[5]C[5,6a]){2|H<1>,5|C<3>}	117.9390	0.000	1	117.9390	0.000	1	117.9390	0.000	1	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(N[6a]C[6a,6a])	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]H){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(H){1|H<1>,1|N<2>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,5|C<3>}	118.1020	0.000	1	118.1020	0.000	1	118.1020	0.000	1	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]C[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>,2|S<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){3|H<1>,4|C<3>}	118.0740	0.000	1	118.0740	0.000	1	118.9246	0.605	8	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]N)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]N)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|H<1>,1|N<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|C<3>,1|N<2>,2|C<2>,2|H<1>}	118.5160	0.000	1	118.5160	0.000	1	118.9246	0.605	8	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	118.7430	0.631	2	118.9954	0.625	5	118.9246	0.605	8	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|O<1>,3|C<3>,3|H<1>}	118.1850	0.000	1	118.9954	0.625	5	118.9246	0.605	8	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|Pd<4>,1|O<1>,2|H<1>,3|C<3>}	119.1760	0.000	1	118.9954	0.625	5	118.9246	0.605	8	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|Ru<6>,1|O<1>,2|H<1>,3|C<3>}	120.1300	0.000	1	118.9954	0.625	5	118.9246	0.605	8	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	119.8300	0.000	1	119.8300	0.000	1	118.9246	0.605	8	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){2|H<1>,4|C<3>}	117.1579	0.161	8	117.1579	0.026	8	118.5276	1.220	76	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>,2|S<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){2|H<1>,4|C<3>}	117.4841	0.398	11	117.4841	0.159	11	118.5276	1.220	76	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]H)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	116.3030	0.000	1	116.0070	0.175	2	118.5276	1.220	76	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]H)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){2|H<1>,4|C<3>}	115.7110	0.000	1	116.0070	0.175	2	118.5276	1.220	76	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|N<1>,2|H<1>,3|C<3>}	119.2875	1.166	2	118.5707	0.851	26	118.5276	1.220	76	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	118.6677	1.463	4	118.5707	0.851	26	118.5276	1.220	76	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	118.4796	0.803	20	118.5707	0.851	26	118.5276	1.220	76	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|O<1>,3|C<3>,3|H<1>}	119.8860	0.000	1	119.8860	0.000	1	118.5276	1.220	76	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|O<1>,3|C<3>,3|H<1>}	119.8860	0.115	2	119.8860	0.013	2	118.5276	1.220	76	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<2>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	118.9940	0.168	2	119.3846	0.156	26	118.5276	1.220	76	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|O<1>,2|H<1>,3|C<3>}	119.4172	0.392	24	119.3846	0.156	26	118.5276	1.220	76	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	118.3980	0.000	1	118.3980	0.000	1	118.4819	0.461	7	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	119.3280	0.150	2	119.3280	0.022	2	118.4819	0.461	7	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<4>,2|C<3>,2|H<1>}	118.7810	0.000	1	118.7810	0.000	1	118.4819	0.461	7	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){2|C<3>,3|H<1>}	117.8880	0.000	1	117.8880	0.000	1	118.4819	0.461	7	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){2|C<3>,3|H<1>}	117.8250	0.000	2	117.8250	0.000	2	118.4819	0.461	7	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[4,5]N)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[4,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[4,5]N)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[4,5]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	118.7010	0.000	1	118.7010	0.000	1	120.1802	1.703	40	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[4,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[4,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[4,5]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[4,5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.1480	0.000	1	120.0955	0.006	2	120.1802	1.703	40	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[4,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[4,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[4,5]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[4,5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.0430	0.000	1	120.0955	0.006	2	120.1802	1.703	40	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){2|H<1>,4|C<3>}	119.5120	0.000	1	119.5120	0.000	1	120.1802	1.703	40	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]C[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|O<2>,2|H<1>,3|C<3>}	117.9400	0.000	1	117.9400	0.000	1	120.1802	1.703	40	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H){2|Cl<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(O[5]C[5,5]){1|O<1>,2|H<1>,3|C<3>}	121.6810	0.000	1	121.6810	0.000	1	120.1802	1.703	40	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	121.3755	0.267	2	121.3755	0.071	2	120.1802	1.703	40	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	120.6720	0.124	2	120.4088	0.575	12	120.1802	1.703	40	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.5710	0.819	6	120.4088	0.575	12	120.1802	1.703	40	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.0340	0.836	4	120.4088	0.575	12	120.1802	1.703	40	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	121.8640	0.000	1	121.8640	0.000	1	120.1802	1.703	40	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]C[6])(C[6a]C[6a]H){1|H<1>,1|I<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6]){1|Cl<1>,1|H<1>,4|C<3>}	117.9390	0.000	1	117.9390	0.000	1	120.1802	1.703	40	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	121.1005	0.423	4	121.1005	0.179	4	120.1802	1.703	40	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6]){1|O<1>,2|H<1>,3|C<3>}	121.1950	0.000	1	121.1950	0.000	1	120.1802	1.703	40	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.6158	0.623	8	120.6384	0.344	9	120.1802	1.703	40	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|S<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,1|O<1>,2|H<1>,2|S<2>}	120.8200	0.000	1	120.6384	0.344	9	120.1802	1.703	40	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	117.5710	0.000	1	117.2967	0.673	3	120.1802	1.703	40	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	116.3740	0.000	1	117.2967	0.673	3	120.1802	1.703	40	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5]C[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){2|H<1>,4|C<3>}	117.9450	0.000	1	117.2967	0.673	3	120.1802	1.703	40	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	118.4890	0.000	1	118.4890	0.000	1	120.1802	1.703	40	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5,5])	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|S<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5,5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.8315	0.124	2	120.8315	0.015	2	120.8364	0.084	12	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5,5])	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|S<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5,5]){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	121.0407	0.284	3	120.8184	0.110	9	120.8364	0.084	12	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5,5])	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|S<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5,5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.5360	0.192	4	120.8184	0.110	9	120.8364	0.084	12	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5,5])	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|S<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5,5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	121.0500	0.177	2	120.8184	0.110	9	120.8364	0.084	12	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|S<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5,6]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	121.0080	0.000	1	121.0080	0.000	1	120.8364	0.084	12	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5,6]){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	119.9682	0.412	4	119.9682	0.169	4	119.9682	0.169	4	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:I-1:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O)(C[6a]C[6a]I)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(I)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O)(C[6a]C[6a]I){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(I){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|H<1>,1|O<1>,2|I<1>,3|C<3>}	119.3030	0.000	1	119.3030	0.000	1	119.3030	0.000	1	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]C){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|H<1>,1|O<1>,3|C<3>}	118.3080	0.796	2	118.3080	0.634	2	118.3080	0.634	2	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]H)(C[5]C[5]O){1|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])2(H){2|O<1>,2|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(S[5]C[5]){1|H<1>,1|O<1>,1|S<2>,2|C<3>}	120.3620	0.338	2	120.3620	0.114	2	120.3620	0.114	2	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[5,6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]Se[5])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(Se[5]C[5])	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[5,6a]H)(C[5]C[5]H){1|Se<2>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]Se[5])(C[5,6a]C[5,6a]C[5])(H){1|Se<2>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(Se[5]C[5]){2|H<1>,3|C<3>}	120.5665	1.634	2	120.5665	2.670	2	119.9020	1.150	5	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[5,6a]H)(C[5]C[5]S)	C[6a](C[5,6a]C[5,6a]Se[5])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(Se[5]C[5])	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[5,6a]H)(C[5]C[5]S){1|Se<2>,1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]Se[5])(C[5,6a]C[5,6a]C[5])(H){1|Se<2>,1|S<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(Se[5]C[5]){1|S<2>,2|C<3>,2|H<1>}	118.9250	0.000	1	118.9250	0.000	1	119.9020	1.150	5	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[5,6a]H)(C[5]C[5]Se)	C[6a](C[5,6a]C[5,6a]Se[5])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(Se[5]C[5])	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[5,6a]H)(C[5]C[5]Se){1|Se<2>,1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]Se[5])(C[5,6a]C[5,6a]C[5])(H){2|Se<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(Se[5]C[5]){1|Se<2>,2|C<3>,2|H<1>}	119.7260	0.171	2	119.7260	0.029	2	119.9020	1.150	5	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5a,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[5a,6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(Se[5]C[5])	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[5a,6a]H)(C[5]C[5]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(H){1|Se<2>,1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(Se[5]C[5]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	119.5400	0.099	2	119.5400	0.010	2	119.5400	0.010	2	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]Cl)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]Cl)(C[5]C[5]O){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|O<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]){2|Cl<1>,1|O<1>,2|C<3>}	118.4315	0.756	2	118.4315	0.571	2	118.4315	0.571	2	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	118.5350	0.000	1	118.5350	0.000	1	119.6790	1.855	38	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Br<1>,1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){2|C<3>,3|H<1>}	118.3190	0.000	1	118.3190	0.000	1	119.6790	1.855	38	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	118.5570	0.000	1	118.5570	0.000	1	119.6790	1.855	38	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|N<3>,2|C<3>,2|H<1>}	118.7280	0.000	1	118.4120	0.204	12	119.6790	1.855	38	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|Br<1>,2|C<3>,2|H<1>}	118.5710	0.454	2	118.4120	0.204	12	119.6790	1.855	38	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	118.4936	0.583	5	118.4120	0.204	12	119.6790	1.855	38	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){2|C<3>,3|H<1>}	118.1060	0.000	1	118.4120	0.204	12	119.6790	1.855	38	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,2|C<4>,2|H<1>}	117.8060	0.000	1	118.4120	0.204	12	119.6790	1.855	38	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<4>,2|C<3>,2|H<1>}	118.2260	0.000	1	118.4120	0.204	12	119.6790	1.855	38	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){2|H<1>,3|C<3>}	118.4680	0.000	1	118.4120	0.204	12	119.6790	1.855	38	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	118.3700	0.000	1	118.0620	0.190	2	119.6790	1.855	38	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){2|C<3>,3|H<1>}	117.7540	0.000	1	118.0620	0.190	2	119.6790	1.855	38	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]I)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]I){1|Cl<1>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|I<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|I<1>,2|C<3>,2|H<1>}	119.9460	0.000	1	119.9460	0.000	1	119.6790	1.855	38	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|Br<1>,1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,2|H<1>,2|N<3>}	120.7950	0.000	1	120.7950	0.000	1	119.6790	1.855	38	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|F<1>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|H<1>,2|C<3>,2|N<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|N<2>,2|C<3>,2|H<1>}	120.6990	0.000	1	120.6990	0.000	1	119.6790	1.855	38	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	119.3890	0.000	1	120.1277	0.252	4	119.6790	1.855	38	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|N<2>,2|C<3>,2|H<1>}	120.3740	0.117	3	120.1277	0.252	4	119.6790	1.855	38	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|H<1>,1|I<1>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H){1|H<1>,2|C<3>,2|N<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	120.7160	0.000	1	120.7160	0.000	1	119.6790	1.855	38	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	121.8870	0.000	1	121.3011	0.339	7	119.6790	1.855	38	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	121.2035	0.571	6	121.3011	0.339	7	119.6790	1.855	38	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]S)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]S){1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|S<2>,3|H<1>}	119.6650	0.000	1	119.6650	0.000	1	119.6790	1.855	38	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]C){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>,2|N<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]){2|C<3>,2|H<1>}	119.6270	1.095	2	119.6270	1.198	2	119.6790	1.855	38	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]){1|C<3>,1|N<3>,2|H<1>}	121.5427	0.333	3	121.5427	0.111	3	119.6790	1.855	38	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]2){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|H<1>,1|O<2>,4|C<3>}	117.8330	0.000	1	117.8330	0.000	1	119.5524	1.745	62	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	116.5200	0.000	1	117.6910	2.742	2	119.5524	1.745	62	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	118.8620	0.000	1	117.6910	2.742	2	119.5524	1.745	62	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	118.7225	0.046	2	118.7225	0.002	2	119.5524	1.745	62	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|N<3>,2|C<3>,3|H<1>}	119.0960	0.000	1	118.4201	0.968	21	119.5524	1.745	62	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	117.5979	0.542	8	118.4201	0.968	21	119.5524	1.745	62	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	117.7080	1.103	2	118.4201	0.968	21	119.5524	1.745	62	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	118.7786	0.761	5	118.4201	0.968	21	119.5524	1.745	62	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|N<3>,2|H<1>,3|C<3>}	119.3330	0.000	1	118.4201	0.968	21	119.5524	1.745	62	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){2|H<1>,4|C<3>}	119.5752	0.156	4	118.4201	0.968	21	119.5524	1.745	62	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	118.1690	0.000	1	118.1690	0.000	1	119.5524	1.745	62	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	120.7830	0.000	1	120.7807	0.051	4	119.5524	1.745	62	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	121.0980	0.000	1	120.7807	0.051	4	119.5524	1.745	62	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	120.6210	0.000	2	120.7807	0.051	4	119.5524	1.745	62	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	120.5920	0.000	1	120.5920	0.000	1	119.5524	1.745	62	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.7190	0.280	2	120.7190	0.078	2	119.5524	1.745	62	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|F<1>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	120.9430	0.000	1	120.9430	0.000	1	119.5524	1.745	62	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.1600	0.000	1	120.2324	0.333	21	119.5524	1.745	62	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	119.7080	0.000	1	120.2324	0.333	21	119.5524	1.745	62	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	120.6900	0.000	1	120.2324	0.333	21	119.5524	1.745	62	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.8420	0.365	5	120.2324	0.333	21	119.5524	1.745	62	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	119.6600	0.000	1	120.2324	0.333	21	119.5524	1.745	62	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	120.4290	0.136	2	120.2324	0.333	21	119.5524	1.745	62	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.7350	0.000	1	120.2324	0.333	21	119.5524	1.745	62	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	120.7640	0.000	1	120.2324	0.333	21	119.5524	1.745	62	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	119.6726	0.315	7	120.2324	0.333	21	119.5524	1.745	62	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,2|H<1>,3|C<3>}	120.3870	0.000	1	120.2324	0.333	21	119.5524	1.745	62	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	121.4220	0.000	1	121.1625	0.135	2	119.5524	1.745	62	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	120.9030	0.000	1	121.1625	0.135	2	119.5524	1.745	62	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	121.5845	0.176	2	121.3877	0.132	3	119.5524	1.745	62	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	120.9940	0.000	1	121.3877	0.132	3	119.5524	1.745	62	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]N[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]N[5]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	119.1340	0.000	1	119.1340	0.000	1	119.5524	1.745	62	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-2:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(P[5]N[5])	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|P<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(P[5]N[5]){2|C<3>,3|H<1>}	119.9110	0.000	1	119.9110	0.000	1	119.9110	0.000	1	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|O<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	119.5190	0.000	1	119.5190	0.000	1	120.1885	0.370	19	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(S[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	120.9600	0.000	1	120.9600	0.000	1	120.1885	0.370	19	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	120.4919	0.217	11	120.4972	0.043	12	120.1885	0.370	19	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|S<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]){1|O<1>,2|H<1>,3|C<3>}	120.5550	0.000	1	120.4972	0.043	12	120.1885	0.370	19	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C){1|Zn<5>,1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]){1|Zn<5>,2|C<3>,2|H<1>}	119.2270	0.000	1	119.2270	0.000	1	120.1885	0.370	19	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(S[5]N[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]H){2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(S[5]N[5]){1|C<3>,1|C<4>,3|H<1>}	119.5415	1.010	2	119.5415	1.021	2	120.1885	0.370	19	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]S[5]S)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]S[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]S[5]S){1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<1>,2|S<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]S[5]){1|C<3>,1|S<1>,2|H<1>}	119.4130	0.085	2	119.4130	0.007	2	120.1885	0.370	19	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]C[5])	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]C[5]C){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|Se<2>,1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]C[5]){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	117.7840	0.000	1	117.7840	0.000	1	119.8160	1.164	33	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]C[5])	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]C[5]H){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Se<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]C[5]){2|C<3>,3|H<1>}	118.6430	0.000	1	118.6430	0.000	1	119.8160	1.164	33	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]I)(Se[5]C[5])	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|H<1>,1|I<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|Se<2>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]I)(Se[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	120.0330	0.000	1	120.0330	0.000	1	119.8160	1.164	33	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]C[5]Pt)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]C[5])	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]C[5]Pt){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Pt<4>,1|Se<2>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]C[5]){1|Pt<4>,2|C<3>,2|H<1>}	117.3133	0.525	3	117.3133	0.275	3	119.8160	1.164	33	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5])	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5]){1|C<3>,1|O<1>,3|H<1>}	119.5780	0.000	1	120.2047	0.297	3	119.8160	1.164	33	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5])	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]H){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5]){2|C<3>,3|H<1>}	120.5180	0.066	2	120.2047	0.297	3	119.8160	1.164	33	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5])	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|F<1>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|Se<2>,1|C<3>,1|F<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5]){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<1>}	119.6215	0.086	2	119.6215	0.007	2	119.8160	1.164	33	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(Se[5]N[5])	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(Se[5]N[5]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	120.2580	0.000	1	120.2580	0.000	1	119.8160	1.164	33	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C[5])(Se[5]N[5])	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C[5])(Se[5]N[5]){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	119.4470	0.000	1	119.4470	0.000	1	119.8160	1.164	33	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5])	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	120.5153	0.193	6	120.3452	0.155	13	119.8160	1.164	33	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5])	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5]){1|O<1>,2|C<3>,2|H<1>}	120.1993	0.475	7	120.3452	0.155	13	119.8160	1.164	33	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(Se[5]N[5])	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(Se[5]N[5]){1|O<1>,2|C<3>,2|H<1>}	119.0560	0.000	1	120.2415	1.209	4	119.8160	1.164	33	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(Se[5]N[5])	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(Se[5]N[5]){1|O<1>,2|C<3>,2|H<1>}	120.6367	0.936	3	120.2415	1.209	4	119.8160	1.164	33	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5])	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|Se<2>,1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	120.1713	0.572	3	120.1713	0.327	3	119.8160	1.164	33	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5])	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|O<2>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5]){1|O<1>,2|H<1>,4|C<3>}	118.8550	0.000	1	118.8550	0.000	1	119.4985	0.828	2	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5])	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5]){1|C<4>,1|O<1>,1|S<4>,2|H<1>,3|C<3>}	120.1420	0.000	1	120.1420	0.000	1	119.4985	0.828	2	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:Se[5]-2:	C[5,6a](C[5,6a]C[6a,6a]Se[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(Se[5]C[5])	C[5,6a](C[5,6a]C[6a,6a]Se[5])(C[6a]C[6a]H)(C[5]C[5]H){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|Se<2>,1|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(Se[5]C[5]){3|C<3>,4|H<1>}	119.0510	0.000	1	119.0510	0.000	1	119.0510	0.000	1	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:N[6a]-3:N[5]-2:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a]C)(N[5]C[5])	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(C[5]C[5]C){2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(O){1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a]C)(N[5]C[5]){1|N<3>,2|C<3>,2|O<1>}	117.4870	0.000	1	117.4870	0.000	1	117.4870	0.000	1	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(C[5]C[5]O)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(C[5]C[5]O){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]C[5])(H){2|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(O[5]C[5]){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	118.6220	0.000	1	118.6220	0.000	1	118.3720	0.125	2	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(C[5]C[6a]C[5])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(C[5]C[6a]C[5]){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]C[5])(H){1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(O[5]C[5]){1|H<1>,1|O<1>,3|C<3>}	118.1220	0.000	1	118.1220	0.000	1	118.3720	0.125	2	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a,6a]H)(C[5]N[5]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(Se[5]N[5])	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a,6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|Se<2>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(Se[5]N[5]){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	119.8940	0.000	1	119.8940	0.000	1	119.8940	0.000	1	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:O-1:	N[6a]-3:C[5,6a]-3:S[5]-2:	C[5,6a](C[5,6a]N[6a]S[5])(C[6a]C[6a,6a]O)(C[5]S[5]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(O)	C[5,6a](N[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(S[5]S[5])	C[5,6a](C[5,6a]N[6a]S[5])(C[6a]C[6a,6a]O)(C[5]S[5]N){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|S<2>}	C[5,6a](N[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(S[5]S[5]){1|N<2>,1|O<1>,4|C<3>}	118.7400	0.000	1	118.7400	0.000	1	118.7400	0.000	1	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(N[5]C[5]H){1|Ir<8>,1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]N[5])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|Ir<8>,1|C<3>,1|N<3>,2|H<1>}	122.5150	1.701	2	122.5150	2.894	2	122.5150	2.894	2	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(N[5]O[5]O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(N[5]O[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(N[5]O[5]O){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(N[5]O[5]){1|Br<1>,1|C<3>,1|H<1>,1|O<1>}	122.0348	0.718	4	122.0348	0.515	4	122.0348	0.515	4	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(N[5]O[5]O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(N[5]O[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(N[5]O[5]O){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(N[5]O[5]){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>}	122.0002	0.396	4	122.0002	0.157	4	122.0002	0.157	4	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]F)(N[5]C[5]Cu)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]F)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]F)(N[5]C[5]Cu){2|C<3>,2|F<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(F){1|Cu<4>,1|F<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]F)(S[5]C[5]){1|Cu<4>,2|C<3>,2|F<1>}	118.5810	0.406	2	118.5810	0.165	2	118.7082	0.598	18	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]F)(N[5]C[5]Tb)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]F)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]F)(N[5]C[5]Tb){1|C<3>,1|S<2>,2|F<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(F){1|Tb<12>,1|C<3>,1|C<4>,1|F<1>,1|S<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]F)(S[5]C[5]){1|Tb<12>,1|C<3>,1|S<2>,2|F<1>}	117.9917	0.089	4	117.9917	0.008	4	118.7082	0.598	18	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]F)(N[5]C[5]Yb)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]F)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]F)(N[5]C[5]Yb){1|C<3>,1|S<2>,2|F<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(F){1|Yb<12>,1|C<3>,1|C<4>,1|F<1>,1|S<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]F)(S[5]C[5]){1|Yb<12>,1|C<3>,1|S<2>,2|F<1>}	118.7089	0.739	8	118.7089	0.546	8	118.7082	0.598	18	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]F)(N[5]C[5]Zn)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]F)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]F)(N[5]C[5]Zn){1|C<2>,1|C<3>,2|F<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(F){1|Zn<4>,1|F<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]F)(S[5]C[5]){1|Zn<4>,1|C<2>,1|C<3>,2|F<1>}	119.9860	0.000	1	119.4868	0.550	4	118.7082	0.598	18	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]F)(N[5]C[5]Zn)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]F)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]F)(N[5]C[5]Zn){2|C<3>,2|F<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(F){1|Br<1>,1|Zn<4>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]F)(S[5]C[5]){1|Br<1>,1|Zn<4>,1|F<1>,2|C<3>}	119.2220	1.123	2	119.4868	0.550	4	118.7082	0.598	18	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]F)(N[5]C[5]Zn)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]F)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]F)(N[5]C[5]Zn){2|C<3>,2|F<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(F){1|Zn<4>,1|F<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]F)(S[5]C[5]){1|Zn<4>,2|C<3>,2|F<1>}	119.5170	0.000	1	119.4868	0.550	4	118.7082	0.598	18	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,6]O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,6])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,6]O){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	122.4040	0.000	1	122.4040	0.000	1	121.4668	1.378	75	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	122.1870	0.000	1	121.2700	1.682	2	121.4668	1.378	75	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<4>,2|C<3>,3|H<1>}	120.3530	0.000	1	121.2700	1.682	2	121.4668	1.378	75	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cu<3>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]){1|Cu<3>,1|C<3>,2|C<4>,2|H<1>}	120.6340	0.000	1	120.6340	0.000	1	121.4668	1.378	75	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|O<1>,3|H<1>}	120.9850	0.000	1	120.9850	0.000	1	121.4668	1.378	75	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Al)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Al){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Al<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]){1|Al<4>,2|C<3>,2|H<1>}	122.0910	0.000	1	121.5182	0.155	15	121.4668	1.378	75	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Al)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Al){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Al<5>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]){1|Al<5>,2|C<3>,2|H<1>}	121.4773	0.373	14	121.5182	0.155	15	121.4668	1.378	75	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Co)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Co){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Co<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]){1|Co<6>,2|C<3>,2|H<1>}	121.6692	0.549	6	121.6692	0.302	6	121.4668	1.378	75	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Cu)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Cu){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cu<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]){1|Cu<4>,1|C<3>,1|C<4>,2|H<1>}	121.3870	0.218	2	121.3870	0.047	2	121.4668	1.378	75	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Co<6>,1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]){1|Co<6>,1|C<3>,3|H<1>}	121.7350	0.000	1	121.7350	0.000	1	121.4668	1.378	75	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Ni)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Ni){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ni<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]){1|Ni<6>,2|C<3>,2|H<1>}	121.1650	0.660	9	121.1650	0.435	9	121.4668	1.378	75	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]O){1|Cl<1>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]){1|O<1>,2|C<3>,2|H<1>}	124.0850	0.000	1	124.0850	0.000	1	121.4668	1.378	75	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]O){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]){1|O<1>,2|C<3>,2|H<1>}	123.7010	0.000	1	123.7010	0.000	1	121.4668	1.378	75	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Pd)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Pd){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]){1|Pd<4>,2|C<3>,2|H<1>}	121.7960	0.000	1	121.7960	0.000	1	121.4668	1.378	75	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Re)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Re){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Re<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]){1|Re<6>,2|C<3>,2|H<1>}	121.0810	0.750	3	121.0810	0.562	3	121.4668	1.378	75	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Ta)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Ta){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ta<7>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]){1|Ta<7>,2|C<3>,2|H<1>}	120.7170	0.000	1	120.7170	0.000	1	121.4668	1.378	75	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Zn)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Zn){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Zn<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]){1|Zn<6>,2|C<3>,2|H<1>}	121.8865	0.398	2	121.8865	0.158	2	121.4668	1.378	75	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]O[5]O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(N[5]O[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]O[5]O){1|C<2>,1|C<3>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(N[5]O[5]){1|C<3>,1|O<1>,2|H<1>}	125.0023	0.415	3	125.0023	0.172	3	121.4668	1.378	75	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]O[5]O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]O[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]O[5]O){1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]O[5]){1|C<3>,1|O<1>,2|H<1>}	123.4590	0.000	1	123.0237	0.262	3	121.4668	1.378	75	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]O[5]O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]O[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]O[5]O){1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|I<1>,1|N<2>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]O[5]){1|C<3>,1|H<1>,1|I<1>,1|O<1>}	122.8060	0.489	2	123.0237	0.262	3	121.4668	1.378	75	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5]B)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(N[5]S[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5]B){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(N[5]S[5]){1|B<4>,1|C<3>,2|H<1>}	122.9410	0.000	1	122.9410	0.000	1	121.4668	1.378	75	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5]C){1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5]){1|C<3>,1|C<4>,2|H<1>}	122.3200	0.000	1	122.3200	0.000	1	121.4668	1.378	75	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5]Ru)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5]Ru){1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ru<6>,1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5]){1|Ru<6>,1|C<3>,2|H<1>}	119.3960	0.000	1	119.3960	0.000	1	121.4668	1.378	75	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]B)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]B){1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Se<2>,1|B<4>,1|C<3>,1|H<1>,1|N<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]){1|B<4>,1|C<3>,2|H<1>}	120.1535	0.287	4	120.1535	0.083	4	121.4668	1.378	75	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]C){1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]){1|C<3>,1|C<4>,2|H<1>}	120.5999	0.547	15	120.5999	0.299	15	121.4668	1.378	75	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,2|C<4>,2|O<2>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]C[5,5]){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	121.4030	0.000	1	121.4030	0.000	1	120.5543	0.609	126	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Al)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Al){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Al<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Al<4>,2|C<3>,2|H<1>}	120.5698	0.099	6	120.4044	0.106	8	120.5543	0.609	126	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Al)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Al){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Al<6>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Al<6>,2|C<3>,2|H<1>}	119.9080	0.194	2	120.4044	0.106	8	120.5543	0.609	126	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Be)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Be){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Be<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Be<4>,2|C<3>,2|H<1>}	120.9060	0.146	2	120.9060	0.021	2	120.5543	0.609	126	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){3|C<3>,3|H<1>}	121.2490	0.000	1	121.2490	0.000	1	120.5543	0.609	126	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,2|H<1>,3|C<4>}	120.1293	0.252	3	120.7578	0.509	6	120.5543	0.609	126	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Re<6>,1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Re<6>,1|C<3>,1|C<4>,2|H<1>}	121.5390	0.000	1	120.7578	0.509	6	120.5543	0.609	126	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,2|C<3>,2|H<1>}	121.2290	0.000	1	120.7578	0.509	6	120.5543	0.609	126	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){3|C<3>,3|H<1>}	121.3910	0.000	1	120.7578	0.509	6	120.5543	0.609	126	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Co){2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Co<6>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]C[5]){1|Co<6>,2|C<3>,2|H<1>}	121.4540	0.421	4	121.4540	0.177	4	120.5543	0.609	126	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Co<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Co<4>,2|C<3>,2|H<1>}	120.4930	0.000	1	120.4930	0.000	1	120.5543	0.609	126	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Co){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Co<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Co<4>,2|C<3>,2|H<1>}	121.2810	0.672	2	121.2810	0.451	2	120.5543	0.609	126	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Cr)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Cr){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Cr<6>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Cr<6>,2|C<3>,2|H<1>}	121.1900	0.000	1	121.1900	0.000	1	120.5543	0.609	126	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Cu){2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Cu<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]C[5]){1|Cu<4>,2|C<3>,2|H<1>}	121.1220	0.000	1	121.1220	0.000	1	120.5543	0.609	126	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Cu){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cu<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Cu<4>,2|C<3>,2|H<1>}	120.3285	0.663	6	120.3285	0.440	6	120.5543	0.609	126	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,4|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,2|C<4>,3|H<1>}	120.7530	0.000	1	120.7530	0.000	1	120.5543	0.609	126	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	121.2027	0.354	3	121.2027	0.126	3	120.5543	0.609	126	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|S<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|N<3>,1|S<1>,2|H<1>}	121.2610	0.000	1	120.9626	0.275	5	120.5543	0.609	126	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|S<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|S<1>,3|H<1>}	120.2730	0.000	1	120.9626	0.275	5	120.5543	0.609	126	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|S<2>,3|H<1>}	120.8690	0.000	1	120.9626	0.275	5	120.5543	0.609	126	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Pd<4>,1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Pd<4>,1|C<3>,3|H<1>}	121.6570	0.000	1	120.9626	0.275	5	120.5543	0.609	126	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Re<6>,1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Re<6>,1|C<3>,3|H<1>}	120.7530	0.000	1	120.9626	0.275	5	120.5543	0.609	126	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ir){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Ir<6>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ir<6>,2|C<3>,2|H<1>}	120.5995	0.845	4	120.9272	0.693	6	120.5543	0.609	126	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ir){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Ir<8>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ir<8>,2|C<3>,2|H<1>}	121.5825	0.176	2	120.9272	0.693	6	120.5543	0.609	126	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ir){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ir<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ir<4>,2|C<3>,2|H<1>}	119.8660	0.513	2	120.0883	1.030	24	120.5543	0.609	126	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ir){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ir<5>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ir<5>,2|C<3>,2|H<1>}	119.9965	0.624	2	120.0883	1.030	24	120.5543	0.609	126	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ir){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ir<6>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ir<6>,2|C<3>,2|H<1>}	119.9086	0.903	14	120.0883	1.030	24	120.5543	0.609	126	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ir){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ir<7>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ir<7>,2|C<3>,2|H<1>}	120.6120	1.430	6	120.0883	1.030	24	120.5543	0.609	126	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Li)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Li){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Li<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Li<4>,2|C<3>,2|H<1>}	119.4490	0.174	2	119.4490	0.030	2	120.5543	0.609	126	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Mn)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Mn){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Mn<6>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Mn<6>,2|C<3>,2|H<1>}	120.5330	0.208	2	120.5330	0.043	2	120.5543	0.609	126	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ni){2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Ni<6>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]C[5]){1|Ni<6>,2|C<3>,2|H<1>}	120.9875	0.043	2	120.9875	0.002	2	120.5543	0.609	126	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ni){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Ni<6>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ni<6>,2|C<3>,2|H<1>}	120.4280	0.000	1	120.4280	0.000	1	120.5543	0.609	126	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ni){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ni<5>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ni<5>,2|C<3>,2|H<1>}	120.4480	0.254	3	120.4344	0.056	5	120.5543	0.609	126	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ni){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ni<6>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ni<6>,2|C<3>,2|H<1>}	120.4140	0.305	2	120.4344	0.056	5	120.5543	0.609	126	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Os)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Os){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Os<6>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Os<6>,2|C<3>,2|H<1>}	120.7401	0.482	7	120.7401	0.232	7	120.5543	0.609	126	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Pd)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Pd){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	121.1510	0.000	1	120.1680	1.933	2	120.5543	0.609	126	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Pd)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Pd){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Pd<4>,2|C<3>,2|H<1>}	119.1850	0.000	1	120.1680	1.933	2	120.5543	0.609	126	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Pt)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Pt){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Pt<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Pt<4>,1|C<3>,1|C<4>,2|H<1>}	122.1740	0.000	1	122.1740	0.000	1	120.5543	0.609	126	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Pt)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Pt){1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Pt<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Pt<4>,1|C<3>,1|S<2>,2|H<1>}	121.0538	0.684	6	120.7695	0.612	8	120.5543	0.609	126	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Pt)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Pt){1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Pt<5>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Pt<5>,1|C<3>,1|S<2>,2|H<1>}	119.9690	0.000	1	120.7695	0.612	8	120.5543	0.609	126	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Pt)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Pt){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Pt<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Pt<4>,2|C<3>,2|H<1>}	119.8640	0.000	1	120.7695	0.612	8	120.5543	0.609	126	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Re)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Re){1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Re<6>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Re<6>,1|C<3>,1|S<2>,2|H<1>}	119.8170	0.000	1	120.2357	0.239	3	120.5543	0.609	126	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Re)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Re){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Re<6>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Re<6>,2|C<3>,2|H<1>}	120.4450	0.464	2	120.2357	0.239	3	120.5543	0.609	126	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ru){1|C<4>,1|N<3>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Ru<6>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(O[5]C[5]){1|Ru<6>,2|C<3>,2|H<1>}	121.2600	0.000	1	121.2600	0.000	1	120.5543	0.609	126	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ru){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ru<9>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ru<9>,1|C<3>,1|C<4>,2|H<1>}	120.9465	0.175	2	119.8117	0.630	7	120.5543	0.609	126	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ru){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ru<6>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ru<6>,2|C<3>,2|H<1>}	119.3578	0.189	5	119.8117	0.630	7	120.5543	0.609	126	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Zn){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Zn<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Zn<4>,1|C<3>,1|C<4>,2|H<1>}	120.4200	0.311	5	120.6214	0.150	9	120.5543	0.609	126	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Zn){1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Zn<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Zn<4>,1|C<3>,3|H<1>}	120.8732	0.345	4	120.6214	0.150	9	120.5543	0.609	126	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]Ga[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]Ga[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]Ga[5]C){1|C<3>,4|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Ga<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]Ga[5]){2|C<3>,2|C<4>,2|H<1>}	121.4490	0.000	1	121.4490	0.000	1	120.5543	0.609	126	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]P[5]P)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]P[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]P[5]P){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,1|P<3>,1|P<5>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]P[5]){1|P<3>,3|C<3>,3|H<1>}	120.1050	0.000	1	120.1050	0.000	1	120.5543	0.609	126	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]Si[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]Si[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]Si[5]){2|C<3>,2|C<4>,2|H<1>}	120.4210	0.000	1	120.7025	0.158	2	120.5543	0.609	126	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]Si[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]Si[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]Si[5]C){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]Si[5]){2|H<1>,4|C<3>}	120.9840	0.000	1	120.7025	0.158	2	120.5543	0.609	126	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-2:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5])	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|P<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5]){1|C<3>,1|C<4>,1|P<3>,2|H<1>}	121.1310	0.000	1	121.2167	0.006	3	121.5882	0.253	6	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-2:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5])	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	121.2595	0.009	2	121.2167	0.006	3	121.5882	0.253	6	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-2:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5])	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|P<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5]){2|C<3>,3|H<1>}	121.9597	0.462	3	121.9597	0.214	3	121.5882	0.253	6	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5,5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5,5]){2|C<3>,2|C<4>,2|H<1>}	118.7670	0.000	1	118.7670	0.000	1	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5,5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5,5]H){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5,5]){3|C<3>,3|H<1>}	119.7610	0.038	2	119.7610	0.001	2	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5,6]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.6010	0.028	2	119.6010	0.001	2	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5,6]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5,6]H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5,6]){1|C<3>,2|C<4>,3|H<1>}	119.5690	0.148	2	119.5690	0.022	2	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Al)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Al){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Al<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Al<4>,2|C<3>,2|H<1>}	119.9101	0.395	7	119.7637	0.136	11	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Al)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Al){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Al<5>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Al<5>,2|C<3>,2|H<1>}	119.5075	0.073	4	119.7637	0.136	11	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B){1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|B<3>,1|C<3>,1|S<2>,2|H<1>}	119.1573	1.248	10	119.4875	0.779	32	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B){1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|B<4>,1|C<3>,1|S<2>,2|H<1>}	119.8957	0.800	8	119.4875	0.779	32	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B){1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<5>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|B<5>,1|C<3>,1|S<2>,2|H<1>}	119.6066	0.356	11	119.4875	0.779	32	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|B<3>,1|C<3>,2|C<4>,2|H<1>}	119.5610	0.000	1	119.4875	0.779	32	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|B<3>,2|C<3>,3|H<1>}	118.8135	0.948	2	119.4875	0.779	32	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Be)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Be){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Be<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Be<4>,2|C<3>,2|H<1>}	119.8355	0.565	2	119.8355	0.319	2	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Bi)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Bi){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Bi<5>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Bi<5>,1|C<3>,1|C<4>,2|H<1>}	120.6645	0.672	6	120.6645	0.452	6	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<2>,1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	121.0400	0.000	1	120.8057	0.494	94	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,2|C<4>,2|H<1>}	121.2330	0.000	1	120.8057	0.494	94	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	121.0044	0.815	7	120.8057	0.494	94	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|S<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|S<1>}	119.1300	0.000	1	120.8057	0.494	94	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|S<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|C<4>,1|S<1>,2|H<1>}	120.7880	0.538	5	120.8057	0.494	94	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|S<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|S<1>,2|C<3>,2|H<1>}	121.5280	0.000	1	120.8057	0.494	94	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	121.2916	0.468	5	120.8057	0.494	94	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	121.5063	0.402	6	120.8057	0.494	94	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	119.0450	0.000	1	120.8057	0.494	94	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<8>,1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Ir<8>,1|C<3>,1|C<4>,2|H<1>}	121.4950	0.197	2	120.8057	0.494	94	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	121.1322	0.593	5	120.8057	0.494	94	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<5>,1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Pd<5>,1|C<3>,1|C<4>,2|H<1>}	121.2890	0.000	1	120.8057	0.494	94	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<7>,1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Ru<7>,1|C<3>,1|C<4>,2|H<1>}	120.8760	0.000	1	120.8057	0.494	94	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<8>,1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Ru<8>,1|C<3>,1|C<4>,2|H<1>}	121.5030	0.000	1	120.8057	0.494	94	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<1>,1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Se<1>,1|C<3>,1|C<4>,2|H<1>}	120.3115	0.213	2	120.8057	0.494	94	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<4>,2|C<3>,2|H<1>}	120.7064	0.606	49	120.8057	0.494	94	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	120.9050	0.000	1	120.8057	0.494	94	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|H<1>,2|C<3>,2|C<4>}	119.9793	0.007	3	120.8057	0.494	94	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){2|H<1>,4|C<3>}	118.8980	0.000	1	120.8057	0.494	94	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<4>,2|C<3>,2|H<1>}	122.1740	0.416	2	122.1740	0.173	2	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Co<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Co<4>,1|C<3>,1|N<3>,2|H<1>}	119.2860	0.245	2	119.7220	0.598	5	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Co<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Co<4>,1|C<3>,3|H<1>}	121.0510	0.000	1	119.7220	0.598	5	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Co){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Co<6>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Co<6>,2|C<3>,2|H<1>}	119.4935	0.285	2	119.7220	0.598	5	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cu<5>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Cu<5>,1|C<3>,1|C<4>,2|H<1>}	120.1850	0.000	1	120.0219	0.417	20	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cu<4>,1|N<3>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Cu<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	121.1760	0.000	1	120.0219	0.417	20	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cu<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Cu<4>,1|C<3>,1|N<3>,2|H<1>}	119.8430	0.348	2	120.0219	0.417	20	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cu<5>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Cu<5>,1|C<3>,1|N<3>,2|H<1>}	119.5640	0.000	1	120.0219	0.417	20	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,1|P<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cu<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Cu<4>,1|C<3>,1|P<4>,2|H<1>}	119.0325	0.090	2	120.0219	0.417	20	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,1|S<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cu<3>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Cu<3>,1|C<3>,1|S<3>,2|H<1>}	120.1507	0.743	3	120.0219	0.417	20	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cu<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Cu<4>,1|C<3>,3|H<1>}	120.0750	0.846	2	120.0219	0.417	20	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cu<5>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Cu<5>,1|C<3>,3|H<1>}	120.5170	0.000	1	120.0219	0.417	20	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Cu){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cu<2>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Cu<2>,2|C<3>,2|H<1>}	120.3500	0.000	1	120.0219	0.417	20	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Cu){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cu<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Cu<4>,2|C<3>,2|H<1>}	120.0730	0.698	5	120.0219	0.417	20	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Cu){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cu<6>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Cu<6>,2|C<3>,2|H<1>}	119.9290	0.000	1	120.0219	0.417	20	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Fe)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Fe){1|C<3>,1|P<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Fe<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Fe<4>,1|C<3>,1|P<2>,2|H<1>}	119.9744	0.263	8	119.8810	0.126	10	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Fe)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Fe){1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Fe<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Fe<4>,1|C<3>,1|S<2>,2|H<1>}	119.1170	0.000	1	119.8810	0.126	10	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Fe)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Fe){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Fe<5>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Fe<5>,2|C<3>,2|H<1>}	119.8980	0.000	1	119.8810	0.126	10	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	120.1610	0.000	1	120.9747	0.604	64	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Cl<1>,1|C<3>,1|N<2>,2|H<1>}	120.6930	0.000	1	120.9747	0.604	64	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	121.3800	0.000	1	120.9747	0.604	64	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|N<2>,3|H<1>}	120.4430	0.000	1	120.9747	0.604	64	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,2|H<1>,2|N<3>}	121.2950	0.000	1	120.9747	0.604	64	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	120.2860	0.614	6	120.9747	0.604	64	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|N<3>,1|S<4>,2|H<1>}	121.2660	0.000	1	120.9747	0.604	64	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	121.1020	0.579	26	120.9747	0.604	64	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|P<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|P<2>,3|H<1>}	120.6040	0.000	1	120.9747	0.604	64	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|S<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|N<3>,1|S<1>,2|H<1>}	121.2710	0.000	1	120.9747	0.604	64	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|S<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|S<1>,3|H<1>}	120.7430	0.000	1	120.9747	0.604	64	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|S<2>,3|H<1>}	121.4175	0.239	4	120.9747	0.604	64	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,2|C<4>,3|H<1>}	119.2130	0.000	1	120.9747	0.604	64	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,4|H<1>}	121.8828	0.745	5	120.9747	0.604	64	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Se<1>,1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Se<1>,1|C<3>,3|H<1>}	121.2450	0.000	1	120.9747	0.604	64	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|O<2>,2|C<3>,2|H<1>}	120.9530	0.163	2	120.9747	0.604	64	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){2|C<3>,3|H<1>}	120.8719	0.988	9	120.9747	0.604	64	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){3|C<3>,3|H<1>}	118.8610	0.000	1	120.9747	0.604	64	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H){1|S<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|S<1>,3|H<1>}	121.9155	0.187	2	121.9155	0.035	2	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ir){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Ir<6>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Ir<6>,2|C<3>,2|H<1>}	119.3350	0.899	2	119.3350	0.809	2	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]F)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ir){2|C<3>,2|F<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(H){1|Ir<6>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]F)(S[5]C[5]){1|Ir<6>,2|C<3>,2|H<1>}	120.4680	0.000	1	120.4680	0.000	1	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ir){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|Ir<8>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Cl<1>,1|Ir<8>,1|C<3>,1|H<1>,1|N<2>}	119.5720	0.000	1	119.9702	0.439	100	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ir){1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ir<6>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Ir<6>,1|C<3>,3|H<1>}	120.5910	0.000	1	119.9702	0.439	100	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ir){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ir<6>,1|C<4>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Ir<6>,1|C<4>,1|H<1>,2|C<3>}	120.5800	0.000	1	119.9702	0.439	100	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ir){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ir<6>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Ir<6>,2|C<3>,2|H<1>}	119.9543	0.665	93	119.9702	0.439	100	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ir){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ir<7>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Ir<7>,2|C<3>,2|H<1>}	120.1322	0.754	4	119.9702	0.439	100	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]La)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]La){1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|La<14>,1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|La<14>,1|C<3>,1|S<2>,2|H<1>}	120.0177	0.917	3	120.0177	0.840	3	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Mg)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Mg){1|Mg<4>,1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Mg<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){2|Mg<4>,1|C<3>,2|H<1>}	119.3390	0.000	1	119.3390	0.000	1	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Mn)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Mn){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Mn<6>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Mn<6>,2|C<3>,2|H<1>}	118.9065	0.624	2	118.9065	0.390	2	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Mo)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Mo){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Mo<9>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Mo<9>,1|C<3>,1|N<3>,2|H<1>}	120.1217	0.246	3	120.1217	0.061	3	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ni){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ni<6>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Ni<6>,1|C<3>,1|N<2>,2|H<1>}	121.2440	0.000	1	120.4849	0.460	16	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ni){1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ni<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Ni<4>,1|C<3>,1|S<2>,2|H<1>}	120.6018	0.528	12	120.4849	0.460	16	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ni){1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ni<6>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Ni<6>,1|C<3>,1|S<2>,2|H<1>}	120.2205	0.532	2	120.4849	0.460	16	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ni){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ni<5>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Ni<5>,2|C<3>,2|H<1>}	118.8510	0.000	1	120.4849	0.460	16	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]P)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]P){1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|P<4>,1|S<2>,2|H<1>}	120.4675	0.122	2	120.4675	0.015	2	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Pd)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Pd){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|Pd<4>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Cl<1>,1|Pd<4>,1|C<3>,1|H<1>,1|N<3>}	119.0145	0.541	2	119.7018	0.476	20	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Pd)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Pd){1|C<3>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Pd<4>,1|C<3>,1|O<2>,2|H<1>}	119.9010	0.000	1	119.7018	0.476	20	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Pd)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Pd){1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Pd<4>,1|C<3>,1|S<2>,2|H<1>}	119.7083	0.705	11	119.7018	0.476	20	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Pd)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Pd){1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Pd<4>,1|C<3>,3|H<1>}	120.4920	0.007	2	119.7018	0.476	20	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Pd)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Pd){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Pd<4>,2|C<3>,2|H<1>}	119.5828	0.707	4	119.7018	0.476	20	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Pt)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Pt){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Pt<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Pt<4>,1|C<3>,1|C<4>,2|H<1>}	120.8220	0.000	1	120.0053	0.989	20	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Pt)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Pt){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Pt<4>,1|O<2>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Pt<4>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	119.9950	0.000	1	120.0053	0.989	20	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Pt)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Pt){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Pt<4>,1|N<3>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Pt<4>,1|C<3>,1|H<1>,2|N<3>}	119.5565	0.194	2	120.0053	0.989	20	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Pt)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Pt){1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Pt<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Pt<4>,1|C<3>,1|S<2>,2|H<1>}	120.9168	0.958	6	120.0053	0.989	20	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Pt)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Pt){1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Pt<5>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Pt<5>,1|C<3>,1|S<2>,2|H<1>}	118.9912	0.489	4	120.0053	0.989	20	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Pt)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Pt){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Pt<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Pt<4>,2|C<3>,2|H<1>}	119.9932	0.649	5	120.0053	0.989	20	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Pt)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Pt){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Pt<6>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Pt<6>,2|C<3>,2|H<1>}	118.7440	0.000	1	120.0053	0.989	20	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Pt)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Pt){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H){1|Pt<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Pt<4>,1|C<3>,1|C<4>,2|H<1>}	119.6840	0.000	1	119.6840	0.000	1	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Re)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Re){1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Re<6>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Re<6>,1|C<3>,1|S<2>,2|H<1>}	119.1075	0.037	2	119.1856	0.637	15	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Re)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Re){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Re<6>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Re<6>,2|C<3>,2|H<1>}	119.1976	0.861	13	119.1856	0.637	15	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Rh)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Rh){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Rh<6>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Rh<6>,2|C<3>,2|H<1>}	120.5340	0.478	2	120.5340	0.228	2	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Rh)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Rh){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Rh<8>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Rh<8>,2|C<3>,2|H<1>}	120.3560	0.000	1	120.3560	0.000	1	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ru){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ru<6>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Ru<6>,1|C<3>,1|N<3>,2|H<1>}	119.6020	0.000	1	119.6532	0.070	4	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ru){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ru<9>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Ru<9>,1|C<3>,1|N<3>,2|H<1>}	119.8520	0.093	2	119.6532	0.070	4	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ru){1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ru<8>,1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Ru<8>,1|C<3>,1|S<2>,2|H<1>}	119.3070	0.000	1	119.6532	0.070	4	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|N<2>,1|S<4>,2|H<1>}	120.1295	0.435	2	121.0125	1.935	4	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,1|S<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|N<3>,1|S<3>,2|H<1>}	123.0130	0.000	1	121.0125	1.935	4	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]S){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|S<2>,1|S<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|S<4>,2|C<3>,3|H<1>}	120.7780	0.000	1	121.0125	1.935	4	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Sn)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Sn){1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Sn<5>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Sn<5>,1|C<3>,1|S<2>,2|H<1>}	119.2910	0.000	1	119.2910	0.000	1	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ta)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ta){1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ta<11>,1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Ta<11>,1|C<3>,1|S<2>,2|H<1>}	119.8230	0.000	1	119.8230	0.000	1	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ti)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ti){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ti<8>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Ti<8>,2|C<3>,2|H<1>}	119.2725	0.723	4	119.2725	0.523	4	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]U)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]U){1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|U<14>,1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|U<14>,1|C<3>,1|S<2>,2|H<1>}	119.6700	0.224	3	119.5106	0.120	5	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]U)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]U){1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|U<16>,1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|U<16>,1|C<3>,1|S<2>,2|H<1>}	119.2715	0.436	2	119.5106	0.120	5	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Yb)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Yb){1|C<3>,1|O<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Yb<14>,1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Yb<14>,1|C<3>,1|O<3>,2|H<1>}	121.5660	0.000	1	121.5660	0.000	1	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Zn){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Zn<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Zn<4>,1|C<3>,1|C<4>,2|H<1>}	120.1245	0.059	2	120.1003	0.252	18	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Zn){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Zn<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Zn<4>,1|C<3>,1|N<3>,2|H<1>}	119.8727	0.545	4	120.1003	0.252	18	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Zn){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Zn<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Zn<4>,2|C<3>,2|H<1>}	120.2306	0.354	5	120.1003	0.252	18	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Zn){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Zn<5>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Zn<5>,2|C<3>,2|H<1>}	120.1304	0.657	7	120.1003	0.252	18	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Zn){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Zn<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(S[5]C[5]){1|Zn<4>,1|C<3>,3|H<1>}	120.9235	0.161	2	120.9235	0.026	2	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]P[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]P[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]P[5]H){1|Se<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|P<4>,1|S<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]P[5]){1|Se<1>,2|C<3>,3|H<1>}	119.6400	0.000	1	119.6400	0.000	1	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]Si[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]Si[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]Si[5]){1|C<3>,1|S<2>,2|C<4>,2|H<1>}	118.8870	0.000	1	118.9065	0.001	2	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]Si[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]Si[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]Si[5]){1|Se<2>,1|C<3>,2|C<4>,2|H<1>}	118.9260	0.000	1	118.9065	0.001	2	120.2259	0.804	487	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5,6])	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|Se<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5,6]){1|Se<2>,1|C<4>,2|C<3>,2|H<1>}	118.8270	0.000	1	118.8270	0.000	1	120.3102	0.297	16	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5])	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|S<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<2>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5]){1|C<2>,1|C<3>,1|S<1>,2|H<1>}	120.8900	0.000	1	120.3539	0.113	14	120.3102	0.297	16	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5])	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|S<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Se<2>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5]){1|S<1>,2|C<3>,2|H<1>}	120.1490	0.000	1	120.3539	0.113	14	120.3102	0.297	16	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5])	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5]){1|C<4>,2|C<3>,2|H<1>}	120.3263	0.321	12	120.3539	0.113	14	120.3102	0.297	16	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5])	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|Se<2>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5]){1|C<4>,2|C<3>,2|H<1>}	121.1820	0.000	1	121.1820	0.000	1	120.3102	0.297	16	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:N[6a]-2:	C[5,6a](C[5,6a]N[5,6]N[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(N[6a]C[6a])	C[5,6a](C[5,6a]N[5,6]N[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|Br<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	118.5220	0.000	1	118.5220	0.000	1	118.5220	0.000	1	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:N[5]-3:N[6a]-2:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]Pt)(N[6a]C[6a])	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|Pt<4>,1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]Pt)(N[6a]C[6a]){1|C<4>,1|H<1>,1|O<1>,2|N<3>}	121.2128	0.698	5	121.2128	0.487	5	121.4562	0.617	13	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:N[5]-3:N[6a]-2:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]Re)(N[6a]C[6a])	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|Re<6>,1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]Re)(N[6a]C[6a]){1|C<4>,1|H<1>,1|O<1>,2|N<3>}	121.3273	1.230	3	121.3273	1.512	3	121.4562	0.617	13	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:N[5]-3:N[6a]-2:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]Pt)(N[6a]C[6a])	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|Pt<4>,1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]Pt)(N[6a]C[6a]){1|O<1>,2|H<1>,2|N<3>}	121.5067	0.528	3	121.5067	0.278	3	121.4562	0.617	13	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:N[5]-3:N[6a]-2:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]Ru)(N[6a]C[6a])	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|Ru<9>,1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]Ru)(N[6a]C[6a]){1|N<3>,1|O<1>,3|H<1>}	121.7020	0.000	1	121.7020	0.000	1	121.4562	0.617	13	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:N[5]-3:N[6a]-2:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Pt)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]Pt)(N[6a]C[6a])	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Pt){1|Pt<4>,1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|Pt<4>,1|C<3>,1|N<2>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]Pt)(N[6a]C[6a]){1|Pt<4>,1|H<1>,1|O<1>,2|N<3>}	122.6630	0.000	1	122.6630	0.000	1	121.4562	0.617	13	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:N[6a]-3:N[5]-2:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]N[5]Ni)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]N[5])	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]N[5]Ni){1|Ni<6>,1|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O){1|Ni<6>,1|N<2>,1|O<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]N[5]){2|Ni<6>,1|N<3>,2|O<1>}	120.8010	0.818	3	120.8010	0.669	3	120.8010	0.669	3	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(N[5]C[5]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(N[5]C[5]H){1|H<1>,1|S<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(H){1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(O[5]C[5]){1|S<1>,2|C<3>,2|H<1>}	121.0070	0.000	1	121.0070	0.000	1	121.0070	0.000	1	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]B[5]Ru)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]B[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]B[5]Ru){1|C<3>,1|C<4>,1|H<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Ru<7>,1|B<5>,1|C<3>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]B[5]){1|Ru<7>,1|C<3>,1|C<4>,1|H<2>,2|H<1>}	122.3060	0.000	1	122.3060	0.000	1	122.3090	0.000	2	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:O[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]B[5]Zr)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]B[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]B[5]Zr){1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Zr<6>,1|B<3>,1|C<3>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]B[5]){1|Zr<6>,1|C<3>,3|H<1>}	122.3120	0.000	1	122.3120	0.000	1	122.3090	0.000	2	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[5a,6a]S[5])(C[6a]C[6a]H)(S[5]B[5]C)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[5a,6a]H)(H)	C[5,6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[6a]S[5])(S[5]B[5])	C[5,6a](C[5,6a]C[5a,6a]S[5])(C[6a]C[6a]H)(S[5]B[5]C){2|Br<1>,1|C<3>,1|H<1>,1|S<2>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[5a,6a]H)(H){1|B<4>,1|C<3>,1|C<4>,2|S<2>}	C[5,6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[6a]S[5])(S[5]B[5]){2|Br<1>,1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|S<2>}	122.3480	0.000	1	122.3480	0.000	1	122.3480	0.000	1	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]N[5,5]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]N[5,5])	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]N[5,5]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]N[5,5]){1|C<4>,2|C<3>,2|H<1>}	122.4110	0.000	1	122.4110	0.000	1	122.4110	0.000	1	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]2)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|P<2>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5]){1|P<2>,2|C<3>,2|H<1>}	122.2920	0.000	1	122.2920	0.000	1	120.2694	0.776	21	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5]){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	120.1260	0.000	1	120.0896	0.493	19	120.2694	0.776	21	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|Se<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5]){1|Se<2>,2|C<3>,2|H<1>}	120.2560	0.000	1	120.0896	0.493	19	120.2694	0.776	21	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5]){1|C<3>,2|C<4>,3|H<1>}	120.0437	0.776	13	120.0896	0.493	19	120.2694	0.776	21	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5]){2|C<3>,2|C<4>,2|H<1>}	120.1882	0.721	4	120.0896	0.493	19	120.2694	0.776	21	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]P[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|P<2>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5]){1|C<3>,1|N<3>,1|P<2>,2|H<1>}	121.6620	0.000	1	121.6620	0.000	1	120.2694	0.776	21	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]F)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]F)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]F){1|C<3>,1|N<2>,1|O<2>,4|F<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]F)(F){1|B<4>,1|F<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]F)(S[5]C[5,6]){1|B<4>,1|C<3>,1|N<2>,2|F<1>}	119.0000	0.000	1	119.0000	0.000	1	119.0000	0.000	1	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|B<4>,2|C<3>,2|H<1>}	121.3672	0.378	6	120.8266	0.363	19	121.0310	0.502	27	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|B<4>,2|C<3>,2|H<1>}	120.1480	0.000	1	120.8266	0.363	19	121.0310	0.502	27	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|B<4>,2|C<3>,2|H<1>}	120.0740	0.396	2	120.8266	0.363	19	121.0310	0.502	27	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|F<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|B<4>,2|C<3>,2|H<1>}	120.9878	0.290	6	120.8266	0.363	19	121.0310	0.502	27	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|F<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|B<4>,1|H<1>,1|O<2>,2|C<3>}	120.3370	0.000	1	120.8266	0.363	19	121.0310	0.502	27	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|B<4>,2|C<3>,2|H<1>}	120.0400	0.506	2	120.8266	0.363	19	121.0310	0.502	27	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){2|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|B<4>,1|C<3>,1|N<3>,2|H<1>}	120.8620	0.000	1	120.8266	0.363	19	121.0310	0.502	27	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|O<2>,2|C<3>,2|H<1>}	121.0157	0.210	3	121.5164	0.548	8	121.0310	0.502	27	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,2|C<4>,2|H<1>}	121.9440	0.860	4	121.5164	0.548	8	121.0310	0.502	27	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){2|H<1>,3|C<3>}	121.3080	0.000	1	121.5164	0.548	8	121.0310	0.502	27	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|F<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	119.7980	0.000	1	120.1390	0.393	54	120.3524	0.768	69	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,2|F<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	121.0250	0.000	1	120.1390	0.393	54	120.3524	0.768	69	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,2|F<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|F<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|B<4>,1|C<3>,1|F<1>,1|H<1>,1|N<2>}	120.0330	0.000	1	120.1390	0.393	54	120.3524	0.768	69	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,2|F<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|B<4>,1|C<3>,1|N<2>,2|H<1>}	120.1740	0.000	1	120.1390	0.393	54	120.3524	0.768	69	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,2|F<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|O<2>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|B<4>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	119.6760	0.000	1	120.1390	0.393	54	120.3524	0.768	69	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,2|F<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|B<4>,1|H<1>,1|N<2>,2|C<3>}	119.9995	0.436	6	120.1390	0.393	54	120.3524	0.768	69	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,2|F<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|Br<1>,1|B<4>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|Br<1>,1|B<4>,1|C<3>,1|H<1>,1|N<2>}	121.1160	0.000	1	120.1390	0.393	54	120.3524	0.768	69	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,2|F<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|Cl<1>,1|B<4>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|Cl<1>,1|B<4>,1|C<3>,1|H<1>,1|N<2>}	121.2480	0.000	1	120.1390	0.393	54	120.3524	0.768	69	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|C<3>,1|S<2>,2|H<1>,2|N<3>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|B<3>,1|C<3>,1|S<2>,2|H<1>}	120.2135	1.268	2	120.1390	0.393	54	120.3524	0.768	69	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|C<3>,1|S<2>,2|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|B<4>,1|C<3>,1|S<2>,2|H<1>}	121.0490	0.789	2	120.1390	0.393	54	120.3524	0.768	69	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|B<4>,2|C<3>,2|H<1>}	119.1770	0.000	1	120.1390	0.393	54	120.3524	0.768	69	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|N<3>,2|C<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|B<4>,2|C<3>,2|H<1>}	120.5970	0.000	1	120.1390	0.393	54	120.3524	0.768	69	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	118.7130	0.000	1	120.1390	0.393	54	120.3524	0.768	69	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|B<4>,2|C<3>,2|H<1>}	120.2534	0.491	17	120.1390	0.393	54	120.3524	0.768	69	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|B<4>,2|C<3>,2|H<1>}	119.6340	0.000	1	120.1390	0.393	54	120.3524	0.768	69	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|B<4>,2|C<3>,2|H<1>}	119.1960	0.000	1	120.1390	0.393	54	120.3524	0.768	69	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|F<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|B<4>,2|C<3>,2|H<1>}	120.2317	0.483	7	120.1390	0.393	54	120.3524	0.768	69	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|B<4>,2|C<3>,2|H<1>}	119.8335	0.532	8	120.1390	0.393	54	120.3524	0.768	69	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	123.9350	0.000	1	120.9394	1.299	13	120.3524	0.768	69	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|N<2>,2|C<3>,2|H<1>}	120.4240	0.342	2	120.9394	1.299	13	120.3524	0.768	69	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	120.7580	0.000	1	120.9394	1.299	13	120.3524	0.768	69	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	122.2690	0.000	1	120.9394	1.299	13	120.3524	0.768	69	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|N<2>,2|C<3>,2|H<1>}	119.3310	0.000	1	120.9394	1.299	13	120.3524	0.768	69	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	121.0895	0.534	2	120.9394	1.299	13	120.3524	0.768	69	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){2|H<1>,3|C<3>}	120.7500	0.000	1	120.9394	1.299	13	120.3524	0.768	69	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|C<4>,2|C<3>,2|H<1>}	121.1570	0.000	1	120.9394	1.299	13	120.3524	0.768	69	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	120.4135	0.025	2	120.9394	1.299	13	120.3524	0.768	69	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	120.1580	0.000	1	120.9394	1.299	13	120.3524	0.768	69	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]O[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]O[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|O<2>,2|C<3>,2|H<1>}	122.2980	1.141	2	122.2980	1.302	2	120.3524	0.768	69	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]B[5]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]B[5])	C[5,6a](C[5,6a]C[6a]N[5])(N[5]B[5]C[6])(C[6a]C[6a]H){1|Ir<8>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]B[5]){1|Ir<8>,2|C<3>,2|H<1>}	119.9150	0.000	1	119.9150	0.000	1	121.4760	1.987	6	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	122.7660	0.000	1	122.7660	0.000	1	121.4760	1.987	6	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5a]N[5])(C[6a]C[6a]H){1|Cd<6>,1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]){1|Cd<6>,2|C<3>,2|H<1>}	122.8320	0.000	1	122.8320	0.000	1	121.4760	1.987	6	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6]N[5])(C[6a]C[6a]H){1|Ru<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]){1|Ru<6>,2|C<3>,2|H<1>}	122.6480	0.000	1	122.6480	0.000	1	121.4760	1.987	6	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]Se[5]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5])	C[5,6a](C[5,6a]C[6a]N[5])(N[5]Se[5]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]){1|C<3>,1|C<4>,2|H<1>}	120.3475	0.276	2	120.3475	0.076	2	121.4760	1.987	6	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	120.1070	0.000	1	120.1070	0.000	1	119.8161	0.235	11	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(N[5]C[6a]In[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]In[5])	C[5,6a](C[5,6a]C[6a]O[5])(N[5]C[6a]In[5])(C[6a]C[6a]H){1|I<1>,1|N<4>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|In<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]In[5]){1|I<1>,1|N<4>,2|C<3>,2|H<1>}	120.1540	0.000	1	119.4797	0.253	4	119.8161	0.235	11	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(N[5]C[6a]In[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]In[5])	C[5,6a](C[5,6a]C[6a]O[5])(N[5]C[6a]In[5])(C[6a]C[6a]H){2|C<4>,2|I<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|In<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]In[5]){2|C<3>,2|H<1>,2|I<1>}	119.1590	0.000	1	119.4797	0.253	4	119.8161	0.235	11	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(N[5]C[6a]In[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]In[5])	C[5,6a](C[5,6a]C[6a]O[5])(N[5]C[6a]In[5])(C[6a]C[6a]H){2|Cl<1>,1|N<4>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|In<5>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]In[5]){2|Cl<1>,1|N<4>,2|C<3>,2|H<1>}	119.0400	0.000	1	119.4797	0.253	4	119.8161	0.235	11	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(N[5]C[6a]In[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]In[5])	C[5,6a](C[5,6a]C[6a]O[5])(N[5]C[6a]In[5])(C[6a]C[6a]H){2|Cl<1>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|In<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]In[5]){2|Cl<1>,2|C<3>,2|H<1>}	119.5660	0.000	1	119.4797	0.253	4	119.8161	0.235	11	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(N[5]Ga[3x5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]Ga[3x5])	C[5,6a](C[5,6a]C[6a]O[5])(N[5]Ga[3x5]C[6a])(C[6a]C[6a]H){2|C<4>,2|N<3>,2|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Ga<6>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]Ga[3x5]){2|C<3>,2|H<1>,2|N<3>,2|O<2>}	119.6997	0.370	3	119.6997	0.137	3	119.8161	0.235	11	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(N[5]Ga[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]Ga[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(N[5]Ga[5,5]C[6a])(C[6a]C[6a]H){1|N<2>,1|N<3>,1|O<2>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Ga<5>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]Ga[5,5]){1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.2840	0.199	3	120.2840	0.039	3	119.8161	0.235	11	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5]B[6]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(N[5]B[6]C[5])(C[6a]C[6a]H){1|C<3>,1|S<1>,2|H<1>,2|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|B<3>,1|C<3>,1|S<1>,2|H<1>}	117.6315	0.753	2	118.0603	0.835	3	118.3995	1.017	4	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5]B[6]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(N[5]B[6]C[5])(C[6a]C[6a]H){1|C<3>,1|S<1>,2|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|B<4>,1|C<3>,1|S<1>,2|H<1>}	118.9180	0.000	1	118.0603	0.835	3	118.3995	1.017	4	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(N[5]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|N<2>,2|C<3>,2|H<1>}	119.4170	0.000	1	119.4170	0.000	1	118.3995	1.017	4	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:O[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(O[5]B[5,5]Li)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]B[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(O[5]B[5,5]Li)(C[6a]C[6a]H){1|C<3>,1|O<2>,1|O<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Li<4>,1|B<4>,1|C<3>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]B[5,5]){1|Li<4>,1|C<3>,1|O<2>,1|O<3>,2|H<1>}	121.6765	0.245	2	121.6765	0.060	2	121.8822	0.059	5	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:O[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(O[5]B[5,5a]Ag)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]B[5,5a])	C[5,6a](C[5,6a]C[6a]O[5])(O[5]B[5,5a]Ag)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){1|Ag<4>,1|B<4>,1|C<3>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]B[5,5a]){1|Ag<4>,1|C<3>,2|H<1>,2|O<2>}	122.1440	0.000	1	122.1440	0.000	1	121.8822	0.059	5	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:O[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(O[5]B[5,5a]Li)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]B[5,5a])	C[5,6a](C[5,6a]C[6a]O[5])(O[5]B[5,5a]Li)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Li<4>,1|B<4>,1|C<3>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]B[5,5a]){1|Li<4>,1|C<3>,2|H<1>,2|O<2>}	122.0330	0.000	1	122.0330	0.000	1	121.8822	0.059	5	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:O[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(O[5]B[5,5a]Ni)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]B[5,5a])	C[5,6a](C[5,6a]C[6a]O[5])(O[5]B[5,5a]Ni)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Ni<4>,1|B<4>,1|C<3>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]B[5,5a]){1|Ni<4>,1|C<3>,2|H<1>,2|O<2>}	121.8810	0.000	1	121.8810	0.000	1	121.8822	0.059	5	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](N[5,5]C[5,6a]Nb[5,5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]C)(O[5]Nb[5,5])	C[5,6a](N[5,5]C[5,6a]Nb[5,5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){2|Cl<1>,1|O<2>,1|O<3>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]C)(H){1|Nb<6>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]C)(O[5]Nb[5,5]){2|Cl<1>,1|O<2>,1|O<3>,2|C<3>,2|H<1>}	118.3295	0.206	2	118.5353	0.148	3	120.0833	1.355	10	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](N[5,5]C[5,6a]Nb[5,5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]C)(O[5]Nb[5,5])	C[5,6a](N[5,5]C[5,6a]Nb[5,5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){3|Cl<1>,1|O<2>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]C)(H){1|Nb<6>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]C)(O[5]Nb[5,5]){3|Cl<1>,1|O<2>,2|C<3>,2|H<1>}	118.9470	0.000	1	118.5353	0.148	3	120.0833	1.355	10	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](N[5,5]C[5,6a]Si[5,5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]C)(O[5]Si[5,5])	C[5,6a](N[5,5]C[5,6a]Si[5,5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,4|C<4>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]C)(H){1|Si<5>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]C)(O[5]Si[5,5]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	120.0180	0.027	2	120.0180	0.001	2	120.0833	1.355	10	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](N[5,5]Ga[5,5]C[5,5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](N[5,5]Ga[5,5]C[5,5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){2|Cl<1>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|Ga<5>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|Ga<5>,2|C<3>,2|H<1>}	121.1985	0.218	2	121.1985	0.048	2	120.0833	1.355	10	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(O[5]Si[5,5])	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|Si<5>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(O[5]Si[5,5]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	120.9265	0.060	2	120.9313	0.002	3	120.0833	1.355	10	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(O[5]Si[5,5])	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|Si<5>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(O[5]Si[5,5]){1|N<3>,2|H<1>,4|C<3>}	120.9410	0.000	1	120.9313	0.002	3	120.0833	1.355	10	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]Si[5,5])	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Br<1>,1|N<3>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|Si<5>,1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]Si[5,5]){1|Br<1>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	118.7660	0.000	1	119.0230	0.304	7	119.0230	0.304	7	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]Si[5,5])	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|Si<5>,1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]Si[5,5]){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	118.8570	0.000	1	119.0230	0.304	7	119.0230	0.304	7	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]Si[5,5])	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|Si<5>,1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]Si[5,5]){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	118.8875	0.457	2	119.0230	0.304	7	119.0230	0.304	7	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]Si[5,5])	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|N<2>,1|N<3>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|Si<5>,1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]Si[5,5]){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	119.2543	0.813	3	119.0230	0.304	7	119.0230	0.304	7	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	N[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](N[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[6a]C[6a]H)(O[5]C[5,5a])	C[5,6a](N[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|S<2>,2|H<1>,2|N<2>}	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[6a]C[6a]H)(O[5]C[5,5a]){1|N<2>,2|C<3>,2|H<1>}	121.1410	0.000	1	121.1410	0.000	1	121.1410	0.000	1	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	N[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](N[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[6a]C[6a]H)(S[5]C[5,5a])	C[5,6a](N[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[6a]C[6a]H)(S[5]C[5,5a]){1|N<2>,2|C<3>,2|H<1>}	120.7535	0.190	2	120.9510	0.135	3	120.9510	0.135	3	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	N[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](N[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[6a]C[6a]H)(S[5]C[5,5a])	C[5,6a](N[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<2>}	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[6a]C[6a]H)(S[5]C[5,5a]){1|N<2>,2|C<3>,2|H<1>}	121.3460	0.000	1	120.9510	0.135	3	120.9510	0.135	3	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](N[5,6]B[5,6]C[5,6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](N[5,6]B[5,6]C[5,6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|B<4>,2|C<3>,2|H<1>}	120.8720	0.000	1	120.8720	0.000	1	120.1520	0.594	10	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](N[5,6]C[5,6]Ga[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](N[5,6]C[5,6]Ga[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|Ga<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|Ga<4>,2|C<3>,2|H<1>}	120.5335	0.479	4	120.4932	0.180	5	120.1520	0.594	10	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](N[5,6]C[5,6]Ga[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](N[5,6]C[5,6]Ga[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|Ga<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|Ga<4>,2|C<3>,2|H<1>}	120.3320	0.000	1	120.4932	0.180	5	120.1520	0.594	10	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](N[5,6]Si[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]Si[5,6])	C[5,6a](N[5,6]Si[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|Si<5>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]Si[5,6]){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	119.1140	0.460	2	119.5455	0.686	4	120.1520	0.594	10	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](N[5,6]Si[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]Si[5,6])	C[5,6a](N[5,6]Si[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|N<3>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|Si<6>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]Si[5,6]){1|O<2>,2|H<1>,2|N<3>,3|C<3>}	119.2350	0.000	1	119.5455	0.686	4	120.1520	0.594	10	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](N[5,6]Si[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]Si[5,6])	C[5,6a](N[5,6]Si[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|Si<4>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|Si<5>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]Si[5,6]){1|Si<4>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.7190	0.000	1	119.5455	0.686	4	120.1520	0.594	10	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](N[5,6]B[5,6]C[5,6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](N[5,6]B[5,6]C[5,6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|B<4>,2|C<3>,2|H<1>}	119.9790	0.000	1	119.9790	0.000	1	119.4313	0.494	3	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](N[5,6]C[5,6]Nb[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](N[5,6]C[5,6]Nb[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|C<3>,2|H<1>,5|O<2>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|Nb<6>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|Nb<6>,2|C<3>,2|H<1>}	119.6760	0.000	1	119.6760	0.000	1	119.4313	0.494	3	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](N[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](N[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	118.6390	0.000	1	118.6390	0.000	1	119.4313	0.494	3	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]H)(S[5]C[5,6a])	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]H)(S[5]C[5,6a]){2|H<1>,3|C<3>}	119.2410	0.000	1	119.2410	0.000	1	119.2410	0.000	1	120.1008	1.533	1329	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[4,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[4,5]C[4,5]C[4])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]Cl)(C[6a]C[6a]H)	C[5,6a](C[4,5]C[4,5]C[4])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]Cl)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	120.3700	0.805	2	120.3700	0.648	2	120.4720	0.355	3	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[4,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[4,5]C[4,5]C[4])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]S)(C[6a]C[6a]H)	C[5,6a](C[4,5]C[4,5]C[4])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]S)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	120.6760	0.000	1	120.6760	0.000	1	120.4720	0.355	3	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,5]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	122.2680	0.000	1	122.2680	0.000	1	120.7150	0.692	10	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	120.8780	0.000	1	120.3725	0.134	4	120.7150	0.692	10	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	120.0150	0.000	1	120.3725	0.134	4	120.7150	0.692	10	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	120.2340	0.000	1	120.3725	0.134	4	120.7150	0.692	10	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|Br<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,5|C<3>}	120.3630	0.000	1	120.3725	0.134	4	120.7150	0.692	10	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]H)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	122.0310	0.000	1	120.6717	1.442	3	120.7150	0.692	10	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]H)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|F<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]H)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	119.9920	0.337	2	120.6717	1.442	3	120.7150	0.692	10	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]Si)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|Si<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]Si)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.6885	0.238	2	120.6885	0.057	2	120.7150	0.692	10	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,2|C<4>,3|H<1>}	118.5540	0.000	1	118.5540	0.000	1	119.1825	0.790	2	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<4>,2|C<3>,3|H<1>}	119.8110	0.000	1	119.8110	0.000	1	119.1825	0.790	2	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,5]S[5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(P[5]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]S[5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(P[5]C[5,5]C[6a])(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	120.8380	0.000	1	120.8380	0.000	1	120.8380	0.000	1	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,5,6,6]C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5,6,6]C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	121.5350	0.000	1	121.1983	0.152	3	121.1983	0.152	3	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,5,6,6]C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5,6,6]C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	120.7710	0.000	1	121.1983	0.152	3	121.1983	0.152	3	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,5,6,6]C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5,6,6]C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	121.2890	0.000	1	121.1983	0.152	3	121.1983	0.152	3	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5,5])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[5a,6a]H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){1|H<1>,1|S<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5,5])(H){1|C<2>,6|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[5a,6a]H){1|C<2>,1|H<1>,1|S<2>,4|C<3>}	121.3390	0.000	2	121.3390	0.000	2	121.2017	0.057	3	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5,5])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[5a,6a]H)	C[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){1|H<1>,1|S<4>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5,5])(H){7|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[5a,6a]H){1|H<1>,1|S<4>,5|C<3>}	120.9270	0.000	1	120.9270	0.000	1	121.2017	0.057	3	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a,6a]H)	C[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){1|H<1>,1|S<4>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5])(H){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a,6a]H){1|H<1>,1|S<4>,5|C<3>}	119.6450	0.000	1	119.6450	0.000	1	119.6450	0.000	1	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5,6a]H)	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(H){7|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5,6a]H){1|H<1>,6|C<3>}	121.2780	0.000	1	121.2780	0.000	1	121.4882	0.157	5	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5,6a]H)	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(H){1|S<2>,6|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5,6a]H){1|H<1>,1|S<2>,5|C<3>}	121.9085	0.183	2	121.9085	0.034	2	121.4882	0.157	5	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5,6a]H)	C[5,6a](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|H<1>,1|S<2>,5|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(H){7|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5,6a]H){1|H<1>,1|S<2>,5|C<3>}	121.1730	0.000	2	121.1730	0.000	2	121.4882	0.157	5	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5a,6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[5a])(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5a,6a]H)	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){1|S<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[5a])(H){7|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,1|S<2>,5|C<3>}	121.2390	0.000	1	121.2390	0.000	1	121.4898	0.051	6	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5a,6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[5a])(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5a,6a]H)	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[5a])(H){1|S<2>,6|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,1|S<2>,5|C<3>}	121.5890	0.000	2	121.5890	0.000	2	121.4898	0.051	6	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5a,6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[5a])(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5a,6a]H)	C[5,6a](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){1|H<1>,1|S<2>,5|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[5a])(H){7|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,1|S<2>,5|C<3>}	121.5073	0.295	3	121.5073	0.087	3	121.4898	0.051	6	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5a,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[5a])(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[6a]C[5a,6a]H)(C[5]C[5,5a]C)	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[5a])(H){1|S<2>,6|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[6a]C[5a,6a]H)(C[5]C[5,5a]C){1|H<1>,1|S<2>,3|C<3>}	123.5680	0.000	1	123.5680	0.000	1	123.5680	0.000	1	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,5a]N)	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){1|H<1>,2|N<3>,4|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,5a]N){1|H<1>,4|C<3>}	120.7890	0.000	1	120.7890	0.000	1	120.8410	0.005	2	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,5a]Si)	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){2|Si<4>,1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,5a]Si){1|H<1>,4|C<3>}	120.8930	0.000	1	120.8930	0.000	1	120.8410	0.005	2	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-3:C[6a]-3:	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(B[5]C[5,5a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(B[5]C[5,5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	121.5730	0.000	1	121.5730	0.000	1	122.4280	0.642	3	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-3:C[6a]-3:	C[5,6a](C[5,5a]C[5,5a]O[5a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(B[5]C[5,5a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5a]C[5,5a]O[5a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(B[5]C[5,5a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	123.1610	0.000	1	123.1610	0.000	1	122.4280	0.642	3	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-3:C[6a]-3:	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(B[5]C[5,5a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(B[5]C[5,5a]C[6a])(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	122.5500	0.000	1	122.5500	0.000	1	122.4280	0.642	3	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C)(C[6a]C[6a]H)	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.6640	0.000	1	120.2823	0.210	4	120.2476	0.323	44	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C)(C[6a]C[6a]H)	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|S<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	120.7550	0.000	1	120.2823	0.210	4	120.2476	0.323	44	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C)(C[6a]C[6a]H)	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|Br<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	120.2730	0.000	1	120.2823	0.210	4	120.2476	0.323	44	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C)(C[6a]C[6a]H)	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.4370	0.000	1	120.2823	0.210	4	120.2476	0.323	44	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[5a])(C[6a]C[6a]H)	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[5a])(C[6a]C[6a]H){2|H<1>,2|N<3>,3|C<3>}	120.4500	0.082	2	120.1297	0.311	3	120.2476	0.323	44	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[5a])(C[6a]C[6a]H)	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[5a])(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	119.4890	0.000	1	120.1297	0.311	3	120.2476	0.323	44	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|B<3>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	120.8800	0.000	1	120.0485	0.345	6	120.2476	0.323	44	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|C<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|H<1>,5|C<3>}	119.4240	0.000	1	120.0485	0.345	6	120.2476	0.323	44	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	119.8270	0.000	1	120.0485	0.345	6	120.2476	0.323	44	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	120.3310	0.362	2	120.0485	0.345	6	120.2476	0.323	44	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	119.4980	0.000	1	120.0485	0.345	6	120.2476	0.323	44	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H)	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,1|P<4>,2|H<1>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	119.2640	0.000	1	119.6448	0.245	4	120.2476	0.323	44	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H)	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.9580	0.577	2	119.6448	0.245	4	120.2476	0.323	44	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H)	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.3990	0.000	1	119.6448	0.245	4	120.2476	0.323	44	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]Si)(C[6a]C[6a]H)	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|Si<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]N)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]Si)(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.1600	0.000	1	121.1600	0.000	1	120.2476	0.323	44	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C)(C[6a]C[6a]H)	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]O)(H){1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	120.5920	0.000	1	120.5920	0.000	1	120.2476	0.323	44	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]N)(C[6a]C[6a]H)	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,2|N<2>,3|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]N)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	120.6100	0.000	1	120.6100	0.000	1	120.2476	0.323	44	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]H)(C[6a]C[6a]H)	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	119.6520	0.000	1	119.6520	0.000	1	120.2476	0.323	44	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H)	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	120.1260	0.007	2	120.6916	0.195	8	120.2476	0.323	44	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H)	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	120.9040	0.351	5	120.6916	0.195	8	120.2476	0.323	44	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H)	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	120.7610	0.000	1	120.6916	0.195	8	120.2476	0.323	44	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5a]C[5a,5a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C)(C[6a]C[6a]H)	C[5,6a](C[5,5a]C[5a,5a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	120.4850	0.000	2	120.4850	0.000	2	120.2476	0.323	44	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5a]C[5a,5a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,5a]C[5a,5a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,2|S<2>,3|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[5])(C[6a]C[6a]H){2|C<3>,2|H<1>,3|S<2>}	121.3090	0.000	1	121.3090	0.000	1	120.2476	0.323	44	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5a]C[5a,5a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[5a])(C[6a]C[6a]H)	C[5,6a](C[5,5a]C[5a,5a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[5a])(C[6a]C[6a]H){2|H<1>,2|N<3>,3|C<3>}	120.4925	0.445	2	120.4925	0.198	2	120.2476	0.323	44	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]H)(C[6a]C[6a]H)	C[5,6a](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	119.5520	0.000	1	119.5520	0.000	1	120.2476	0.323	44	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]O)(C[6a]C[6a]H)	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.2980	0.000	1	119.9820	0.187	7	120.2476	0.323	44	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]O)(C[6a]C[6a]H)	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.1623	0.382	4	119.9820	0.187	7	120.2476	0.323	44	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]O)(C[6a]C[6a]H)	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.9635	0.292	2	119.9820	0.187	7	120.2476	0.323	44	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5a]N[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]O)(C[6a]C[6a]H)	C[5,6a](C[5,5a]N[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]O)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	120.1345	0.619	2	120.1345	0.383	2	120.2476	0.323	44	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])	C[5,6a](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a]){2|H<1>,7|C<3>}	121.1400	0.000	1	121.1400	0.000	1	121.1400	0.000	1	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5,6a]C[5,5a]C[5,6a])(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[6a]C[5a,6a]H)(C[5]C[5,5a]N)	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5,6a]C[5,5a]C[5,6a])(H){2|S<2>,5|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[6a]C[5a,6a]H)(C[5]C[5,5a]N){1|H<1>,1|S<2>,3|C<3>}	121.8350	0.000	1	121.8350	0.000	1	121.8350	0.000	1	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6,6]C[5,3x6]C[5,6,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,3x6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6,6]C[5,3x6]C[5,6,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,3x6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	120.1537	0.278	6	120.1537	0.077	6	120.1537	0.077	6	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6]O)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H){1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6]O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	121.6875	0.100	2	121.6875	0.010	2	121.6875	0.010	2	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6,6]C[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6,6]C[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6,6]C[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6,6]C[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	120.1690	1.065	2	120.1690	1.134	2	120.1690	1.134	2	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	120.6525	0.386	6	120.6525	0.149	6	120.6525	0.149	6	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	120.1730	0.000	1	120.1730	0.000	1	120.3251	1.246	67	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	119.2990	0.000	1	120.0940	1.264	2	120.3251	1.246	67	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	120.8890	0.000	1	120.0940	1.264	2	120.3251	1.246	67	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]Cl)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]Cl)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.4360	0.000	1	119.4360	0.000	1	120.3251	1.246	67	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]2)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	119.9470	0.000	1	119.9470	0.000	1	120.3251	1.246	67	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	120.2500	0.000	1	120.2500	0.000	1	120.3251	1.246	67	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6]N[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]N[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	118.6617	0.373	4	118.6617	0.139	4	120.3251	1.246	67	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	120.5430	0.000	1	120.5430	0.000	1	120.3251	1.246	67	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.6860	0.728	2	119.7408	1.254	12	120.3251	1.246	67	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	119.7276	0.255	5	119.7408	1.254	12	120.3251	1.246	67	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	118.9760	0.793	5	119.7408	1.254	12	120.3251	1.246	67	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	121.5418	0.357	6	121.4736	0.117	10	120.3251	1.246	67	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	121.3713	0.341	4	121.4736	0.117	10	120.3251	1.246	67	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|Br<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	119.0610	0.000	1	119.0610	0.000	1	120.3251	1.246	67	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|B<4>,1|C<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	121.0823	0.464	4	120.1287	1.051	22	120.3251	1.246	67	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|B<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	121.2758	0.143	4	120.1287	1.051	22	120.3251	1.246	67	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	118.7525	0.196	2	120.1287	1.051	22	120.3251	1.246	67	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	120.1992	0.245	6	120.1287	1.051	22	120.3251	1.246	67	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	119.3010	0.293	2	120.1287	1.051	22	120.3251	1.246	67	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	119.8360	0.000	1	120.1287	1.051	22	120.3251	1.246	67	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.2200	0.000	1	120.1287	1.051	22	120.3251	1.246	67	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	118.5210	0.873	2	120.1287	1.051	22	120.3251	1.246	67	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]N[5a])(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|B<4>,1|C<2>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]N[5a])(H){2|N<3>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	119.7320	0.000	1	119.7320	0.000	1	120.3251	1.246	67	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|B<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|B<4>,1|C<3>,1|N<2>,2|H<1>}	121.5010	0.260	7	121.5010	0.068	7	120.3251	1.246	67	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]N[5a])(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|B<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]N[5a])(H){1|N<2>,2|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|B<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	120.6310	0.000	1	120.6310	0.000	1	120.3251	1.246	67	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|B<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|B<4>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	121.1030	0.044	2	121.1030	0.002	2	120.3251	1.246	67	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.7770	0.000	1	119.9283	0.542	3	119.7454	0.448	5	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,2|C<3>,3|H<1>}	119.5480	0.000	1	119.9283	0.542	3	119.7454	0.448	5	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,2|H<1>,3|C<3>}	119.4600	0.000	1	119.9283	0.542	3	119.7454	0.448	5	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<4>,2|C<3>,3|H<1>}	118.9940	0.000	1	118.9940	0.000	1	119.7454	0.448	5	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<4>,2|C<3>,3|H<1>}	119.9480	0.000	1	119.9480	0.000	1	119.7454	0.448	5	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5]C[5,6]Zr)(C[6a]C[6a]C)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Zr<12>,1|H<1>,2|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5]C[5,6]Zr)(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	121.1990	0.000	1	120.8452	0.133	5	120.8208	0.110	6	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5]C[5,6]Zr)(C[6a]C[6a]C)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Zr<8>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5]C[5,6]Zr)(C[6a]C[6a]C){2|H<1>,3|C<3>}	120.9240	0.000	1	120.8452	0.133	5	120.8208	0.110	6	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5]C[5,6]Zr)(C[6a]C[6a]C)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Zr<9>,1|H<1>,2|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5]C[5,6]Zr)(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	120.4685	0.115	2	120.8452	0.133	5	120.8208	0.110	6	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5]C[5,6]Zr)(C[6a]C[6a]C)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Zr<9>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5]C[5,6]Zr)(C[6a]C[6a]C){2|H<1>,3|C<3>}	121.1660	0.000	1	120.8452	0.133	5	120.8208	0.110	6	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5]C[5,6]Al)(C[6a]C[6a]2)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Al<5>,1|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5]C[5,6]Al)(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	120.6990	0.000	1	120.6990	0.000	1	120.8208	0.110	6	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,6])(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a,6a]H)	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){1|H<1>,1|S<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,6])(H){1|H<1>,1|N<2>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a,6a]H){1|H<1>,1|N<2>,5|C<3>}	122.9280	0.000	1	122.9280	0.000	1	122.9280	0.000	1	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,6])(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a,6a]H)(C[5]N[5,6]O)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){1|B<4>,1|C<2>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,6])(H){1|H<1>,1|N<3>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a,6a]H)(C[5]N[5,6]O){1|B<4>,1|H<1>,3|C<3>}	120.2440	0.000	1	120.2440	0.000	1	121.1687	0.728	3	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,6])(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a,6a]H)(C[5]N[5,6]O)	C[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){1|B<4>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,6])(H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a,6a]H)(C[5]N[5,6]O){1|B<4>,1|H<1>,1|N<2>,2|C<3>}	121.6310	0.416	2	121.6310	0.173	2	121.1687	0.728	3	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:As[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(As[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]As[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]As[5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(As[5]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]As[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]As[5]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	119.6795	0.476	6	119.6795	0.227	6	119.6795	0.227	6	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:As[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(As[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]As[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]As[5]C[6a])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(As[5]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]As[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]As[5]C[6a])(C[6a]C[6a]H)(C[5]C[5]H){2|H<1>,3|C<3>}	120.4460	0.139	2	120.4460	0.019	2	120.4460	0.019	2	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:B[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[6a])(C[6a]C[6a]F)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]F)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[6a])(C[6a]C[6a]F){2|F<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(F){1|F<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]F){3|F<1>,4|C<3>}	118.6685	0.688	2	118.6685	0.473	2	118.6685	0.473	2	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:B[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]C[5])(C[6a]C[6a]F)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]F)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]C[5])(C[6a]C[6a]F){2|F<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(F){1|F<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]F){2|F<1>,5|C<3>}	118.1705	0.077	2	118.1705	0.006	2	118.1705	0.006	2	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:B[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(B[5]C[5,5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(B[5]C[5,5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	118.4960	0.000	1	118.4960	0.000	1	118.3560	0.286	3	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:B[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(B[5]C[5,5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5,5a]O[5a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(B[5]C[5,5a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,5a]C[5,5a]O[5a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){2|H<1>,4|C<3>}	117.7650	0.000	1	117.7650	0.000	1	118.3560	0.286	3	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:B[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(B[5]C[5,5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(B[5]C[5,5a]C[6a])(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){2|H<1>,4|C<3>}	118.8070	0.000	1	118.8070	0.000	1	118.3560	0.286	3	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:B[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]Br)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]Br)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|Br<1>,3|C<3>,3|H<1>}	119.1147	1.131	6	119.1147	1.279	6	118.7282	0.499	44	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:B[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	118.6545	0.810	4	118.6545	0.656	4	118.7282	0.499	44	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:B[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	118.1260	1.181	2	118.1260	1.394	2	118.7282	0.499	44	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:B[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[5])(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	118.2510	0.020	2	118.2510	0.000	2	118.7282	0.499	44	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:B[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|Br<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|Br<1>,2|H<1>,4|C<3>}	118.6090	0.552	2	118.7903	0.280	20	118.7282	0.499	44	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:B[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	118.8909	0.512	16	118.7903	0.280	20	118.7282	0.499	44	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:B[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	118.1670	0.291	2	118.7903	0.280	20	118.7282	0.499	44	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:B[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]Cl)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]Cl)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|Cl<1>,3|C<3>,3|H<1>}	119.4685	0.409	2	119.4685	0.168	2	118.7282	0.499	44	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:B[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]N)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	118.1325	0.095	2	118.1325	0.009	2	118.7282	0.499	44	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:B[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	118.4955	0.616	6	118.4955	0.379	6	118.7282	0.499	44	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:B[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(B[5]C[5,5]N)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]N[5,5]C[6a])(B[5]C[5,5]N)(C[6a]C[6a]H){1|C<3>,1|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]B[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]C){1|C<3>,1|N<3>,2|H<1>,5|C<4>}	118.2290	0.000	1	118.2290	0.000	1	118.2290	0.000	1	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5,5]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5,5]2)(C[6a]C[6a]H){1|Si<4>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]H){1|Si<4>,2|C<3>,2|H<1>}	119.5025	0.118	2	120.0542	0.657	6	120.3721	0.561	10	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5,5]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5,5]2)(C[6a]C[6a]H){2|Si<4>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]H){1|Si<4>,2|C<3>,2|H<1>}	120.3300	0.886	4	120.0542	0.657	6	120.3721	0.561	10	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5,5]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]Si)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5,5]2)(C[6a]C[6a]H){1|Si<4>,1|P<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]Si)(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	120.6995	0.388	2	120.8490	0.083	4	120.3721	0.561	10	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5,5]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]Si)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5,5]2)(C[6a]C[6a]H){1|Si<4>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]Si)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	120.9985	0.094	2	120.8490	0.083	4	120.3721	0.561	10	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5a]C[5,5a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5a]C[5,5a]2)(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[5])(C[6a]C[6a]H){2|C<3>,2|H<1>,3|S<2>}	120.2080	0.049	2	120.2080	0.002	2	120.2080	0.002	2	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2)(C[6a]C[6a]H){2|Cl<1>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]Cl){1|C<4>,2|H<1>,4|C<3>}	120.7620	0.000	1	120.7620	0.000	1	119.4659	1.422	9	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.5180	0.000	1	119.3039	1.355	8	119.4659	1.422	9	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	119.9588	0.178	5	119.3039	1.355	8	119.4659	1.422	9	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	117.5595	1.042	2	119.3039	1.355	8	119.4659	1.422	9	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C){1|S<2>,2|H<1>,4|C<3>}	120.4340	1.742	2	121.8830	5.211	4	121.8758	3.129	6	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|Se<2>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C){1|Se<2>,2|H<1>,4|C<3>}	123.3320	2.049	2	121.8830	5.211	4	121.8758	3.129	6	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]){2|H<1>,7|C<3>}	121.8615	0.105	2	121.8615	0.011	2	121.8758	3.129	6	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[4])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H){1|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[4])(C[6a]C[5,6a]H){1|H<1>,6|C<3>}	121.2150	0.511	2	121.2150	0.261	2	121.7144	0.634	7	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H){7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[5,6a]H){1|H<1>,2|S<2>,4|C<3>}	122.7700	0.000	2	122.7700	0.000	2	121.7144	0.634	7	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H){7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[5,6a]H){1|H<1>,6|C<3>}	121.3437	0.448	3	121.3437	0.200	3	121.7144	0.634	7	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|C<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H){1|C<2>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6a]C){1|H<1>,4|C<3>}	120.4790	0.098	2	121.2598	0.428	6	121.3170	1.095	11	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H){2|C<4>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6a]C){1|H<1>,4|C<3>}	121.6502	0.317	4	121.2598	0.428	6	121.3170	1.095	11	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H){1|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6a]O){1|H<1>,4|C<3>}	119.9790	0.000	1	120.4213	0.721	3	121.3170	1.095	11	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H){7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6a]O){1|H<1>,4|C<3>}	120.6425	1.071	2	120.4213	0.721	3	121.3170	1.095	11	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6a]P)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|P<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H){1|P<2>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6a]P){1|H<1>,4|C<3>}	122.8320	0.593	2	122.8320	0.351	2	121.3170	1.095	11	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]Br){1|C<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(Br){1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|Br<1>,1|N<3>,3|C<3>}	117.7320	0.010	2	117.7320	0.000	2	117.3522	0.192	4	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]Br){1|Br<1>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(Br){1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|Br<1>,1|N<3>,3|C<3>}	116.9725	0.011	2	116.9725	0.000	2	117.3522	0.192	4	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]Cl)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]Cl){2|Cl<1>,1|S<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]Cl){2|Cl<1>,1|S<2>,4|C<3>}	119.7380	1.720	2	119.5210	1.105	4	119.5210	1.105	4	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]Cl)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]Cl){2|Cl<1>,1|S<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]Cl){3|Cl<1>,4|C<3>}	119.0130	0.000	1	119.5210	1.105	4	119.5210	1.105	4	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]Cl)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]Cl){3|Cl<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]Cl){2|Cl<1>,1|S<2>,4|C<3>}	119.5950	0.000	1	119.5210	1.105	4	119.5210	1.105	4	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:B[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]F)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[6a])(C[6a]C[6a]F)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]F){3|F<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]F)(F){1|B<3>,1|F<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[6a])(C[6a]C[6a]F){2|F<1>,5|C<3>}	119.6660	0.549	2	119.6660	0.301	2	119.6660	0.301	2	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]F)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]F)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]F){2|C<4>,3|C<3>,3|F<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]F)(F){1|Si<4>,1|F<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]F){2|C<4>,3|C<3>,3|F<1>}	129.3220	0.000	1	129.3220	0.000	1	129.3220	0.000	1	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]F)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]F)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]F){1|O<1>,3|C<3>,3|F<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]F)(F){1|F<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]F){2|F<1>,3|C<3>}	118.1730	0.000	1	118.1730	0.000	1	118.3900	0.094	2	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]F)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]F){1|O<1>,1|O<2>,2|F<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]F)(F){1|F<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]O){2|F<1>,3|C<3>}	118.6070	0.000	1	118.6070	0.000	1	118.3900	0.094	2	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	120.2482	0.257	6	120.2482	0.066	6	120.2482	0.066	6	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:As[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]As[5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(As[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]As[5]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|As<3>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(As[5]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.5102	1.248	6	119.5102	1.558	6	119.2235	1.407	8	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:As[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]As[5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(As[5]C[5,6a]C[6a])(C[6a]N[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]As[5]C[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]H)(H){1|As<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(As[5]C[5,6a]C[6a])(C[6a]N[6a]H){1|H<1>,5|C<3>}	118.3635	0.285	2	118.3635	0.081	2	119.2235	1.407	8	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|Br<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Br)(H){1|B<3>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	121.9220	0.281	2	121.9220	0.079	2	121.0771	0.254	43	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]Br)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|Br<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]Br)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.5978	0.590	6	120.5978	0.348	6	121.0771	0.254	43	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|B<3>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	120.5662	0.732	4	120.8772	0.581	6	121.0771	0.254	43	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.4990	0.368	2	120.8772	0.581	6	121.0771	0.254	43	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[5])(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	121.3955	0.076	2	121.3955	0.006	2	121.0771	0.254	43	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	121.1098	0.330	15	121.1098	0.109	15	121.0771	0.254	43	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]Cl)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|Cl<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]Cl)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.7495	0.112	2	120.7495	0.013	2	121.0771	0.254	43	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]N)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.3085	0.128	2	121.3085	0.016	2	121.0771	0.254	43	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.1808	0.272	6	121.1808	0.074	6	121.0771	0.254	43	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H){1|B<3>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	121.4910	0.049	2	121.4910	0.002	2	121.0771	0.254	43	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	120.0083	1.076	6	120.0083	1.159	6	122.0871	17.392	184	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.3115	0.986	2	119.3115	0.973	2	122.0871	17.392	184	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	119.2243	0.396	3	119.2243	0.157	3	122.0871	17.392	184	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.4285	0.203	2	119.4285	0.041	2	122.0871	17.392	184	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.6370	0.785	2	119.6370	0.616	2	122.0871	17.392	184	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	118.7375	0.144	2	118.7375	0.021	2	122.0871	17.392	184	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	118.5800	0.633	7	118.5800	0.401	7	122.0871	17.392	184	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){3|H<1>,4|C<3>}	120.3350	0.000	1	120.3350	0.000	1	122.0871	17.392	184	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	117.9620	0.000	1	117.9620	0.000	1	122.0871	17.392	184	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	120.8210	0.000	1	120.8210	0.000	1	122.0871	17.392	184	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	120.3630	0.343	3	120.3630	0.117	3	122.0871	17.392	184	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	120.8970	0.028	2	120.8970	0.001	2	122.0871	17.392	184	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	121.0450	0.000	1	121.0450	0.000	1	122.0871	17.392	184	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|C<4>,2|H<1>,4|C<3>}	122.2870	0.000	1	122.2870	0.000	1	122.0871	17.392	184	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	119.1210	0.016	2	120.2766	0.819	113	122.0871	17.392	184	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	119.9300	0.151	4	120.2766	0.819	113	122.0871	17.392	184	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	120.2530	0.464	2	120.2766	0.819	113	122.0871	17.392	184	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	120.6172	0.443	4	120.2766	0.819	113	122.0871	17.392	184	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	120.3153	0.937	99	120.2766	0.819	113	122.0871	17.392	184	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	119.4900	0.000	1	120.2766	0.819	113	122.0871	17.392	184	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){5|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.6070	0.000	1	120.2766	0.819	113	122.0871	17.392	184	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	121.4130	0.000	1	121.4130	0.000	1	122.0871	17.392	184	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]N[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,6a,6a]N[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|O<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H){1|N<2>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]O){1|H<1>,1|N<2>,2|O<2>,3|C<3>}	122.9860	0.000	1	122.9860	0.000	1	122.0871	17.392	184	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	131.3240	0.000	1	131.0475	0.153	2	122.0871	17.392	184	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	130.7710	0.000	1	131.0475	0.153	2	122.0871	17.392	184	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	131.3120	0.000	1	131.6433	0.093	3	122.0871	17.392	184	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	131.8090	0.144	2	131.6433	0.093	3	122.0871	17.392	184	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	129.7020	0.000	1	129.7020	0.000	1	122.0871	17.392	184	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,2|H<1>,3|C<3>}	131.0410	0.000	1	131.0410	0.000	1	122.0871	17.392	184	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	131.5440	0.000	1	130.9951	0.928	17	122.0871	17.392	184	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	132.0430	0.000	1	130.9951	0.928	17	122.0871	17.392	184	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|B<3>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	130.8530	0.000	1	130.9951	0.928	17	122.0871	17.392	184	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	130.1220	0.000	1	130.9951	0.928	17	122.0871	17.392	184	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	129.4130	0.000	1	130.9951	0.928	17	122.0871	17.392	184	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	131.5170	0.000	1	130.9951	0.928	17	122.0871	17.392	184	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	131.7630	0.000	1	130.9951	0.928	17	122.0871	17.392	184	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	130.9800	0.000	1	130.9951	0.928	17	122.0871	17.392	184	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|F<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|F<1>,3|C<3>,3|H<1>}	131.8105	0.766	2	130.9951	0.928	17	122.0871	17.392	184	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,4|H<1>}	132.7220	0.000	1	130.9951	0.928	17	122.0871	17.392	184	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|N<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	131.5370	0.000	1	130.9951	0.928	17	122.0871	17.392	184	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	129.9350	0.344	3	130.9951	0.928	17	122.0871	17.392	184	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	130.4985	0.091	2	130.9951	0.928	17	122.0871	17.392	184	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	131.6160	0.000	1	131.6160	0.000	1	122.0871	17.392	184	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N[6])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N[6])(H){1|H<1>,1|P<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	127.2200	0.000	1	127.2200	0.000	1	122.0871	17.392	184	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,3|C<3>,3|H<1>}	129.0410	0.687	2	128.8843	0.310	3	122.0871	17.392	184	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|Pd<5>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|Pd<5>,1|C<4>,2|H<1>,3|C<3>}	128.5710	0.000	1	128.8843	0.310	3	122.0871	17.392	184	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N[6])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N[6])(H){1|H<1>,1|S<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	127.1150	1.172	2	127.1150	1.374	2	122.0871	17.392	184	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|Cl<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|Cl<1>,3|C<3>,3|H<1>}	125.6260	0.000	1	125.6260	0.000	1	122.0871	17.392	184	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	131.7395	0.218	2	131.7395	0.048	2	122.0871	17.392	184	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a,6a]Se[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]Se[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]Se[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H){1|Se<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]Se[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	127.5310	0.000	1	127.5310	0.000	1	122.0871	17.392	184	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.9580	0.000	1	118.9580	0.000	1	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(H){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H){2|H<1>,2|S<2>,3|C<3>}	121.4958	0.182	4	121.4958	0.033	4	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Br)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.7915	0.484	2	121.7915	0.235	2	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6])(C[6a]C[6a]Br)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|Br<1>,1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Br)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6])(C[6a]C[6a]Br){1|C<4>,1|H<1>,5|C<3>}	122.4805	0.101	2	122.4805	0.010	2	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.7075	0.207	2	121.7075	0.043	2	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.5140	0.000	1	120.1265	0.300	2	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H){5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,4|C<3>}	119.7390	0.000	1	120.1265	0.300	2	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|F<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]F)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.1868	0.183	4	122.1868	0.034	4	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|F<1>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]F)(H){1|F<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|F<1>,1|H<1>,3|C<3>}	120.5990	0.000	1	120.5990	0.000	1	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]As)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|As<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Br<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]As)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	120.7810	0.378	2	120.7810	0.143	2	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.9962	0.336	26	120.9076	0.614	171	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Br<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	119.1690	0.000	1	120.9076	0.614	171	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Cl<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	120.0070	0.000	1	120.9076	0.614	171	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.1894	0.405	8	120.9076	0.614	171	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.1750	0.000	1	120.9076	0.614	171	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.3642	0.275	8	120.9076	0.614	171	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Br<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	121.1541	1.106	7	120.9076	0.614	171	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.1597	0.667	115	120.9076	0.614	171	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	120.7320	0.000	1	120.9076	0.614	171	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	118.7050	0.000	1	120.9076	0.614	171	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	121.3185	0.036	2	120.9076	0.614	171	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]Ir)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Ir<8>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]Ir){1|H<1>,1|O<2>,3|C<3>}	118.0090	0.000	1	118.0090	0.000	1	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]Si)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Si<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]Si){2|H<1>,3|C<3>}	120.7915	0.029	2	120.7915	0.001	2	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[4])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[4])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	121.0380	0.305	7	120.8803	0.118	11	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[4])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[4])(C[6a]C[6a]H){2|H<1>,5|C<3>}	120.6042	0.219	4	120.8803	0.118	11	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]C){2|H<1>,5|C<3>}	122.9553	0.159	4	123.0299	0.026	8	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]C){2|H<1>,5|C<3>}	123.1045	0.140	4	123.0299	0.026	8	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Br<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	120.8595	0.040	2	121.4717	1.231	30	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	121.6110	1.297	21	121.4717	1.231	30	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	121.4030	0.000	1	121.4717	1.231	30	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H){2|H<1>,2|S<2>,3|C<3>}	121.1652	0.311	5	121.4717	1.231	30	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	121.3720	0.000	1	121.4717	1.231	30	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a])(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	118.7620	0.000	1	118.7620	0.000	1	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|F<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6])(C[6a]C[6a]H){1|F<1>,1|H<1>,1|O<2>,4|C<3>}	120.6330	0.000	1	121.7721	0.722	10	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	121.4245	0.350	2	121.7721	0.722	10	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	120.2420	0.000	1	121.7721	0.722	10	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	122.3328	0.349	6	121.7721	0.722	10	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	120.7020	0.000	1	120.8503	0.832	18	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.5163	0.272	3	120.8503	0.832	18	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	121.1467	0.755	14	120.8503	0.832	18	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]H)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	119.0090	0.000	1	119.6580	0.842	2	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.3070	0.000	1	119.6580	0.842	2	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.3628	0.541	62	120.2532	0.391	80	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.8755	0.754	18	120.2532	0.391	80	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	120.9565	0.446	2	120.9565	0.199	2	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,5|C<3>}	121.6280	0.000	1	121.6280	0.000	1	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]C){2|H<1>,3|C<3>}	121.2960	0.000	1	121.2960	0.000	1	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]Cl)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Cl<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]Cl){1|Cl<1>,1|H<1>,3|C<3>}	120.8250	0.000	1	120.8250	0.000	1	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	120.8510	0.000	1	119.8343	0.529	70	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.7990	0.000	1	119.8343	0.529	70	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.1254	0.404	15	119.8343	0.529	70	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Br<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	119.4585	0.193	2	119.8343	0.529	70	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	119.9260	0.000	1	119.8343	0.529	70	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	119.4060	0.000	1	119.8343	0.529	70	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.3236	0.413	35	119.8343	0.529	70	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|I<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,1|I<1>,3|C<3>}	118.5640	0.000	1	119.8343	0.529	70	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	119.8525	0.974	2	119.8343	0.529	70	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	120.1745	0.852	2	119.8343	0.529	70	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	119.0874	0.702	5	119.8343	0.529	70	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Se<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|Se<2>,1|H<1>,3|C<3>}	118.2420	0.000	1	119.8343	0.529	70	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,4|C<3>}	119.6667	0.108	3	119.8343	0.529	70	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]O){2|H<1>,3|C<3>}	120.0770	0.000	1	120.4778	0.678	6	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]O){2|H<1>,3|C<3>}	120.5580	0.894	5	120.4778	0.678	6	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]P)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|P<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Br<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]P)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	120.5465	0.443	2	120.6777	0.068	14	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]P)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|P<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]P)(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.0075	0.094	2	120.6777	0.068	14	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]P)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|P<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]P)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.6380	0.215	10	120.6777	0.068	14	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]Si)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Si<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]Si)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.5060	0.109	2	120.5060	0.012	2	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Ir)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Ir<6>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Ir)(H){5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,4|C<3>}	121.0370	0.000	1	121.0370	0.000	1	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N)(H){1|C<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	118.6280	0.000	1	118.6280	0.000	1	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H){1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	121.3627	0.406	7	121.3627	0.165	7	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,2|O<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H){1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]O){1|H<1>,1|O<2>,3|C<3>}	122.3088	0.174	6	122.3088	0.030	6	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.6010	0.000	1	120.6010	0.000	1	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Pt)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Pt<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Pt)(H){5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,4|C<3>}	121.0520	0.000	1	121.0520	0.000	1	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]N[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]C)(H){4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]N[6a]C){1|H<1>,3|C<3>}	120.7960	0.000	1	120.7960	0.000	1	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]N[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]C)(H){4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]N[6a]H){1|H<1>,3|C<3>}	119.4280	0.000	1	119.4280	0.000	1	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]O[6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]O[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]O[6a]O)(H){4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]O[6a]C){1|H<1>,3|C<3>}	121.0905	0.259	4	121.0905	0.067	4	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	122.3730	0.000	1	122.3730	0.000	1	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<2>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	120.6120	0.000	1	120.6120	0.000	1	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	119.1098	0.979	4	120.6251	0.892	24	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Cl<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|H<1>,2|N<2>}	120.5940	0.000	1	120.6251	0.892	24	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	121.2270	1.034	5	120.6251	0.892	24	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	120.8480	0.028	2	120.6251	0.892	24	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	121.0228	0.239	9	120.6251	0.892	24	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|N<2>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	120.5550	0.000	1	120.6251	0.892	24	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	120.1890	0.033	2	120.6251	0.892	24	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]O[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]O[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H){2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|O<2>}	121.9685	0.306	2	121.9685	0.094	2	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.5060	0.000	1	120.5060	0.000	1	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	120.7140	0.000	1	119.5245	0.772	4	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.1280	0.464	3	119.5245	0.772	4	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	117.2020	0.000	1	117.2020	0.000	1	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.8430	0.000	1	119.8430	0.000	1	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.2750	0.667	3	119.2750	0.444	3	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.4415	2.310	2	118.4415	5.337	2	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.4770	0.000	1	120.4770	0.000	1	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.1600	0.000	1	119.2943	0.014	3	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.3615	0.043	2	119.2943	0.014	3	120.6943	1.023	518	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6,6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6,6a]N[6,6a]C[6])(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6,6a]O)(H){5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6,6a]N[6,6a]C[6])(C[5]C[5,6a]O){2|H<1>,5|C<3>}	122.2090	0.000	1	122.2090	0.000	1	122.2090	0.000	1	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a]){3|H<1>,6|C<3>}	121.6043	0.287	3	121.2116	0.349	5	121.2116	0.349	5	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a]){3|H<1>,6|C<3>}	120.6225	0.275	2	121.2116	0.349	5	121.2116	0.349	5	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C[5])(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C[5])(C[5]C[5,6a]O){1|O<2>,2|H<1>,5|C<3>}	121.6000	0.000	1	121.6000	0.000	1	121.4200	0.668	4	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]O[6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]O[6a])(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]O[6a]O)(H){4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]O[6a])(C[5]C[5,6a]O){1|H<1>,5|C<3>}	121.3735	1.399	2	121.3735	1.958	2	121.4200	0.668	4	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]O[6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]O[6a]C[5])(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]O[6a]O)(H){4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]O[6a]C[5])(C[5]C[5,6a]O){2|C<4>,2|H<1>,3|C<3>}	121.3330	0.000	1	121.3330	0.000	1	121.4200	0.668	4	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C[6])(S[5]C[5,6a]Ru)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Ru<9>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C[6])(S[5]C[5,6a]Ru){1|N<3>,2|H<1>,4|C<3>}	118.0225	0.426	2	118.0225	0.182	2	118.0225	0.182	2	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	117.0220	0.184	4	117.0220	0.034	4	116.7797	4.684	12	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6a]Os)(C[6a]C[6a]P)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|Os<6>,1|P<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6a]Os)(C[6a]C[6a]P){2|H<1>,3|C<3>}	115.4458	0.637	4	115.2265	0.366	6	116.7797	4.684	12	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6a]Os)(C[6a]C[6a]P)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|Os<8>,1|P<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6a]Os)(C[6a]C[6a]P){2|H<1>,3|C<3>}	114.7880	0.185	2	115.2265	0.366	6	116.7797	4.684	12	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6a]Re)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|Re<6>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6a]Re)(C[6a]C[6a]C){2|H<1>,3|C<3>}	120.9545	0.165	2	120.9545	0.027	2	116.7797	4.684	12	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|P<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C)(C[6a]C[6a]C){2|H<1>,3|C<3>}	120.0695	0.203	2	120.0695	0.041	2	119.6670	0.697	22	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	120.4640	0.126	2	120.4640	0.016	2	119.6670	0.697	22	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.7544	0.169	8	119.7544	0.029	8	119.6670	0.697	22	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[5])(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	120.4440	0.177	2	120.4440	0.031	2	119.6670	0.697	22	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a])(C[6a]C[6a]Cl)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a])(C[6a]C[6a]Cl){2|H<1>,5|C<3>}	117.9260	0.000	1	117.9260	0.000	1	119.6670	0.697	22	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	120.5670	0.020	2	120.5670	0.000	2	119.6670	0.697	22	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]I)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|I<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]I)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.0895	0.218	2	119.0895	0.048	2	119.6670	0.697	22	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a])(C[6a]N[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]H)(H){1|P<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a])(C[6a]N[6a]H){1|H<1>,5|C<3>}	119.0405	0.172	2	119.0405	0.030	2	119.6670	0.697	22	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]W)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|W<6>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]W)(C[6a]C[6a]H){2|H<1>,3|C<3>}	117.3640	0.000	1	117.3640	0.000	1	119.6670	0.697	22	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]Ru)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Ru<8>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|S<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]Ru)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.2810	0.836	4	119.2810	0.699	4	118.7719	0.429	40	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]N)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|F<1>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]F)(H){1|H<1>,1|S<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.8085	0.100	2	118.8085	0.010	2	118.7719	0.429	40	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.6535	0.083	2	118.6535	0.007	2	118.7719	0.429	40	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]N)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.1623	0.109	6	118.1623	0.012	6	118.7719	0.429	40	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]Pr)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Pr<15>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]Pr)(C[6a]C[6a]C){2|H<1>,3|C<3>}	119.3657	0.561	4	119.3657	0.315	4	118.7719	0.429	40	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]Re)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Re<6>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]Re)(C[6a]C[6a]C){2|H<1>,3|C<3>}	119.2205	0.343	2	119.2205	0.118	2	118.7719	0.429	40	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]Ru)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Ru<8>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]Ru)(C[6a]C[6a]C){2|H<1>,3|C<3>}	118.6932	0.519	10	118.6932	0.269	10	118.7719	0.429	40	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]Ru)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Ru<8>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]Ru)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.8740	0.773	8	118.7020	0.650	10	118.7719	0.429	40	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]Ru)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Ru<9>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]Ru)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.0140	0.696	2	118.7020	0.650	10	118.7719	0.429	40	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C){2|H<1>,5|C<3>}	120.6300	0.000	1	120.6300	0.000	1	120.7589	0.735	7	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O){2|H<1>,5|C<3>}	121.1010	0.398	3	121.1010	0.159	3	120.7589	0.735	7	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O){1|H<1>,5|C<3>}	121.7200	0.000	1	121.7200	0.000	1	120.7589	0.735	7	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C){2|H<1>,5|C<3>}	120.5620	0.000	1	120.5620	0.000	1	120.7589	0.735	7	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O){2|H<1>,5|C<3>}	119.0970	0.000	1	119.0970	0.000	1	120.7589	0.735	7	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:I-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]I)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(I)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]I){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(I){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,1|I<1>,1|N<2>,2|C<3>}	118.4070	0.000	1	118.4070	0.000	1	118.4070	0.000	1	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[5a,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(H){7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[5a,6a]H){1|H<1>,2|S<2>,4|C<3>}	123.1300	0.000	1	123.1300	0.000	1	122.4403	0.357	3	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[5a,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(H){7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,6|C<3>}	122.0955	0.029	2	122.0955	0.001	2	122.4403	0.357	3	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]H)(C[5]C[5,6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){1|C<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(H){1|C<2>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]H)(C[5]C[5,6a]C){1|H<1>,4|C<3>}	121.0663	0.632	3	121.0663	0.399	3	120.5992	1.139	4	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]H)(C[5]C[5,6a]C)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){1|C<2>,1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(H){1|C<2>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]H)(C[5]C[5,6a]C){1|H<1>,4|C<3>}	119.1980	0.000	1	119.1980	0.000	1	120.5992	1.139	4	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:Cl-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]Cl)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(Cl)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[5,6a](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]Cl){7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(Cl){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|Cl<1>,8|C<3>}	118.9090	0.645	2	118.9090	0.416	2	118.9090	0.416	2	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(H){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	120.5125	1.002	4	120.3575	0.661	6	120.3575	0.661	6	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(H){7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	120.0475	0.066	2	120.3575	0.661	6	120.3575	0.661	6	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(H){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,6a]O){1|H<1>,4|C<3>}	119.6973	0.241	3	119.6973	0.058	3	119.6973	0.058	3	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]2)(H){1|H<1>,6|C<3>}	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C){2|H<1>,5|C<3>}	123.4580	0.091	2	123.4580	0.008	2	122.2634	1.278	5	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]2)(H){1|H<1>,6|C<3>}	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]){2|H<1>,7|C<3>}	121.7080	0.006	2	121.7080	0.000	2	122.2634	1.278	5	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H){1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5,6a]C[5,6a]2)(H){7|C<3>}	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O){2|H<1>,5|C<3>}	120.9850	0.000	1	120.9850	0.000	1	122.2634	1.278	5	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:C[5,6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(H){7|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O){2|H<1>,5|C<3>}	121.2370	0.000	1	121.2370	0.000	1	121.2370	0.000	1	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5,6a]H){1|H<1>,1|S<2>,5|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(H){1|S<2>,6|C<3>}	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|H<1>,5|C<3>}	119.6880	0.000	1	119.6880	0.000	1	120.1624	0.303	5	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5,6a]H){1|H<1>,1|S<2>,5|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(H){7|C<3>}	C[5,6a](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|H<1>,1|S<2>,5|C<3>}	120.6670	0.000	2	120.6670	0.000	2	120.1624	0.303	5	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5,6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H){7|C<3>}	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|H<1>,6|C<3>}	120.3030	0.000	1	120.3030	0.000	1	120.1624	0.303	5	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5,6a]H){1|H<1>,1|S<2>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H){7|C<3>}	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|H<1>,5|C<3>}	119.4870	0.000	1	119.4870	0.000	1	120.1624	0.303	5	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[4])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[4])(C[6a]C[5,6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H){7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){2|H<1>,5|C<3>}	120.2460	0.191	2	120.2460	0.036	2	120.0750	0.611	7	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[5,6a]H){1|H<1>,2|S<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H){7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){2|H<1>,5|C<3>}	119.0085	0.374	2	119.0085	0.140	2	120.0750	0.611	7	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[5,6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(H){1|S<2>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){2|H<1>,5|C<3>}	120.5510	0.000	1	120.7325	0.066	2	120.0750	0.611	7	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[5,6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(H){7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){2|H<1>,5|C<3>}	120.9140	0.000	1	120.7325	0.066	2	120.0750	0.611	7	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[5,6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H){7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){2|H<1>,5|C<3>}	120.5510	0.000	1	120.5510	0.000	1	120.0750	0.611	7	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5a,6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5a,6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(H)	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,1|S<2>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(H){7|C<3>}	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){1|S<2>,2|H<1>,4|C<3>}	120.6030	0.000	1	120.6030	0.000	1	120.6030	0.000	1	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5a,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[5a,6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[5a,6a]H){1|H<1>,2|S<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(H){7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){2|H<1>,5|C<3>}	118.7450	0.000	1	118.7450	0.000	1	119.5667	0.324	4	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5a,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[5a,6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(H){7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){2|H<1>,5|C<3>}	119.8407	0.190	3	119.8407	0.036	3	119.5667	0.324	4	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a,6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a,6a]2)(H){7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){2|H<1>,5|C<3>}	119.9630	0.182	2	119.9630	0.033	2	119.9630	0.033	2	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6])(C[6a]C[6a]Br)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(Br)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6])(C[6a]C[6a]Br){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(Br){1|Br<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|Br<1>,1|H<1>,4|C<3>}	116.1970	0.013	2	116.1970	0.000	2	116.1970	0.000	2	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]Cl){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2)(C[6a]C[6a]H){2|Cl<1>,2|C<4>,3|C<3>}	118.9740	0.000	1	118.9740	0.000	1	118.9740	0.000	1	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]Cl){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|H<1>,3|C<3>}	120.3590	0.000	1	120.3590	0.000	1	120.3590	0.000	1	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]Cl){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|Cl<1>,1|N<2>,2|C<3>,2|O<1>}	118.8755	0.131	2	118.8755	0.017	2	118.8755	0.017	2	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:B[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]F)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]C[5])(C[6a]C[6a]F)	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]F){2|F<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(F){1|B<3>,1|F<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]C[5])(C[6a]C[6a]F){2|F<1>,5|C<3>}	120.2480	0.040	2	120.2480	0.002	2	120.2480	0.002	2	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]F)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]F)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]F){2|F<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(F){1|F<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]F){1|O<1>,3|C<3>,3|F<1>}	120.5740	0.000	1	120.5740	0.000	1	120.5740	0.000	1	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:B[5]-3:	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]F)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(B[5]C[5]Br)	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]F){1|Br<1>,2|F<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(F){1|B<3>,1|F<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(B[5]C[5]Br){2|F<1>,3|C<3>}	120.0090	0.000	1	120.0090	0.000	1	120.0090	0.000	1	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]N[5])(C[6a]C[6a]F)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]N[5]B)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]N[5])(C[6a]C[6a]F){1|Mg<4>,1|B<4>,2|F<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(F){1|F<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]N[5]B){1|Mg<4>,2|C<3>,2|F<1>}	119.4546	0.370	8	119.4546	0.137	8	119.4546	0.137	8	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]Cl)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,5]C[4])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]Cl)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	C[5,6a](C[4,5]C[4,5]C[4])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	120.6340	1.390	2	120.6340	1.933	2	120.3313	1.241	3	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]S)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,5]C[4])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]S)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5,6a](C[4,5]C[4,5]C[4])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	119.7260	0.000	1	119.7260	0.000	1	120.3313	1.241	3	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	121.4460	0.000	1	121.4460	0.000	1	120.0153	1.166	10	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	118.8900	0.000	1	118.8900	0.000	1	120.0153	1.166	10	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	118.9590	0.000	1	119.4947	0.298	3	120.0153	1.166	10	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	120.0510	0.000	1	119.4947	0.298	3	120.0153	1.166	10	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	119.4740	0.000	1	119.4947	0.298	3	120.0153	1.166	10	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]H)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	121.3120	0.168	2	121.3120	0.028	2	120.0153	1.166	10	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	118.6500	0.000	1	118.6500	0.000	1	120.0153	1.166	10	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]Si)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]Si)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|Si<4>,2|H<1>,3|C<3>}	120.0295	0.715	2	120.0295	0.511	2	120.0153	1.166	10	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	121.3065	0.271	2	121.3065	0.073	2	120.6787	0.921	47	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|S<2>,3|C<3>,3|H<1>}	120.2750	0.000	1	120.5913	0.137	3	120.6787	0.921	47	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	120.9980	0.000	1	120.5913	0.137	3	120.6787	0.921	47	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	120.5010	0.000	1	120.5913	0.137	3	120.6787	0.921	47	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5a,5a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	C[5,6a](C[5,5a]C[5a,5a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|S<2>,2|H<1>,3|C<3>}	121.0220	0.000	2	121.0220	0.000	2	120.6787	0.921	47	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|O<2>,4|C<3>}	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,1|S<2>,2|H<1>,3|C<3>}	121.6310	0.000	1	121.6310	0.000	1	120.6787	0.921	47	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5a,5a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[5])(C[6a]C[6a]H){2|C<3>,2|H<1>,3|S<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,5a]C[5a,5a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,2|S<2>,3|C<3>}	119.7480	0.000	1	119.7480	0.000	1	120.6787	0.921	47	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[5a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[5a])(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.9130	0.000	1	119.4850	0.146	3	120.6787	0.921	47	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[5a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[5a])(C[6a]C[6a]H){2|H<1>,2|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	119.2710	0.129	2	119.4850	0.146	3	120.6787	0.921	47	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[5a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5a,5a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[5a])(C[6a]C[6a]H){2|H<1>,2|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,5a]C[5a,5a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	119.5500	0.281	2	119.5500	0.079	2	120.6787	0.921	47	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	120.3500	0.748	2	120.2957	0.289	3	120.6787	0.921	47	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	120.1870	0.000	1	120.2957	0.289	3	120.6787	0.921	47	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|B<3>,2|H<1>,4|C<3>}	119.6910	0.000	1	120.0443	0.098	3	120.6787	0.921	47	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	120.2210	0.095	2	120.0443	0.098	3	120.6787	0.921	47	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	121.2730	0.000	1	121.2730	0.000	1	120.6787	0.921	47	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	117.7010	0.000	1	117.7010	0.000	1	120.6787	0.921	47	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	118.5700	0.000	1	118.5700	0.000	1	120.6787	0.921	47	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]N)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]N)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,2|N<2>,3|C<3>}	120.9870	0.000	1	120.9870	0.000	1	120.6787	0.921	47	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,1|P<4>,2|H<1>}	121.4200	0.000	1	121.2897	0.033	4	120.6787	0.921	47	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	121.1340	0.016	2	121.2897	0.033	4	120.6787	0.921	47	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	121.4710	0.000	1	121.2897	0.033	4	120.6787	0.921	47	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	121.2335	0.045	2	120.8672	0.214	8	120.6787	0.921	47	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	120.7526	0.533	5	120.8672	0.214	8	120.6787	0.921	47	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	120.7080	0.000	1	120.8672	0.214	8	120.6787	0.921	47	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]S)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,2|S<2>,3|C<3>}	120.8880	0.000	1	120.8880	0.000	1	120.6787	0.921	47	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]Si)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]Si)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|Si<4>,1|H<1>,1|N<3>,3|C<3>}	118.9890	0.000	1	118.9890	0.000	1	120.6787	0.921	47	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	122.1550	0.000	1	121.6713	0.120	7	120.6787	0.921	47	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	121.4920	0.227	4	121.6713	0.120	7	120.6787	0.921	47	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	121.7880	0.419	2	121.6713	0.120	7	120.6787	0.921	47	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]N[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]O)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,5a]N[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	121.6545	0.202	2	121.6545	0.041	2	120.6787	0.921	47	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,3x6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6]C[5,3x6]C[5,6,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,3x6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6,6]C[5,3x6]C[5,6,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	121.3085	0.135	6	121.3085	0.018	6	121.3085	0.018	6	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|S<4>,2|H<1>,3|C<3>}	120.9510	0.000	1	120.9510	0.000	1	121.8262	0.443	70	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	120.3220	0.000	1	120.3220	0.000	1	121.8262	0.443	70	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]Cl)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]Cl)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	120.9760	0.000	1	120.9760	0.000	1	121.8262	0.443	70	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	122.7700	0.000	1	122.7700	0.000	1	121.8262	0.443	70	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|C<4>,1|O<1>,2|C<3>}	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>,2|C<4>}	122.2510	0.000	1	122.2510	0.000	1	121.8262	0.443	70	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	121.3770	0.000	1	121.4935	0.027	2	121.8262	0.443	70	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	121.6100	0.000	1	121.4935	0.027	2	121.8262	0.443	70	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){2|H<1>,2|O<1>,3|C<3>}	123.6200	0.257	2	123.6200	0.066	2	121.8262	0.443	70	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	121.9350	1.056	2	121.9693	0.252	13	121.8262	0.443	70	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	121.7827	0.417	6	121.9693	0.252	13	121.8262	0.443	70	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	122.2070	0.367	5	121.9693	0.252	13	121.8262	0.443	70	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	121.2737	0.472	7	121.2282	0.172	11	121.8262	0.443	70	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	121.1485	0.337	4	121.2282	0.172	11	121.8262	0.443	70	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]N[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6]C[5,6]N[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	122.4265	0.273	4	122.4265	0.074	4	121.8262	0.443	70	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|B<4>,1|C<2>,1|O<1>,2|C<3>,2|H<1>}	121.4805	0.315	4	121.8993	0.242	20	121.8262	0.443	70	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|B<4>,1|O<1>,2|C<3>,3|H<1>}	121.4453	0.412	4	121.8993	0.242	20	121.8262	0.443	70	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	122.2080	0.383	2	121.8993	0.242	20	121.8262	0.443	70	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	122.0695	0.298	6	121.8993	0.242	20	121.8262	0.443	70	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	121.9100	0.000	1	121.8993	0.242	20	121.8262	0.443	70	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	122.5280	0.429	2	121.8993	0.242	20	121.8262	0.443	70	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	122.4840	0.000	1	121.8993	0.242	20	121.8262	0.443	70	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|B<4>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|B<4>,1|O<1>,2|C<3>,2|H<1>}	121.4710	0.179	7	121.4710	0.032	7	121.8262	0.443	70	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5a])(H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5a])(H){1|O<1>,2|N<3>,4|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|B<4>,1|C<2>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	122.4220	0.000	1	122.4220	0.000	1	121.8262	0.443	70	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5a])(H)	C[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|B<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5a])(H){1|O<1>,2|N<3>,4|C<3>}	C[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|B<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	121.9860	0.000	1	121.9860	0.000	1	121.8262	0.443	70	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	122.7975	0.267	2	122.7975	0.071	2	121.8262	0.443	70	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|B<4>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|B<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	121.6180	0.423	2	121.6180	0.179	2	121.8262	0.443	70	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5,5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]H){1|Si<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5,5]2)(C[6a]C[6a]H){1|Si<4>,1|C<4>,2|H<1>,3|C<3>}	120.8730	0.031	2	120.3610	0.743	6	120.0372	0.589	10	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5,5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]H){1|Si<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5,5]2)(C[6a]C[6a]H){2|Si<4>,1|C<4>,2|C<3>,2|H<1>}	120.1050	0.988	4	120.3610	0.743	6	120.0372	0.589	10	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]Si)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5,5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]Si)(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5,5]2)(C[6a]C[6a]H){1|Si<4>,1|P<4>,2|H<1>,3|C<3>}	119.5845	0.095	2	119.5515	0.005	4	120.0372	0.589	10	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]Si)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5,5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]Si)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5,5]2)(C[6a]C[6a]H){1|Si<4>,1|S<4>,2|H<1>,3|C<3>}	119.5185	0.012	2	119.5515	0.005	4	120.0372	0.589	10	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5a]C[5,5a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[5])(C[6a]C[6a]H){2|C<3>,2|H<1>,3|S<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5a]C[5,5a]2)(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	119.7525	0.011	2	119.7525	0.000	2	119.7525	0.000	2	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	122.0148	0.481	5	122.0616	0.236	8	122.0616	0.236	8	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	122.1780	0.830	2	122.0616	0.236	8	122.0616	0.236	8	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	122.0630	0.000	1	122.0616	0.236	8	122.0616	0.236	8	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]As)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]As)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|As<2>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|As<2>,3|C<3>,3|H<1>}	119.9880	0.402	2	119.9880	0.161	2	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	118.9690	0.273	2	118.9690	0.074	2	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	121.6930	0.000	1	119.8211	1.276	9	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	119.5871	0.946	8	119.8211	1.276	9	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|C<2>,1|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N){1|N<3>,2|H<1>,4|C<3>}	121.3260	0.290	2	121.5450	0.227	4	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|N<3>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N){1|N<3>,2|H<1>,4|C<3>}	121.7640	0.636	2	121.5450	0.227	4	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C[3])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C[3]){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	120.6410	0.000	1	120.6410	0.000	1	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	121.1600	0.000	1	121.1600	0.000	1	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	121.1020	0.000	1	121.1020	0.000	1	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,2|H<1>,4|C<3>}	119.1810	0.195	2	119.5872	1.109	163	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,3|C<3>,3|H<1>}	121.0667	0.458	26	119.5872	1.109	163	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	119.1273	0.777	6	119.5872	1.109	163	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	118.5400	0.064	2	119.5872	1.109	163	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|F<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|F<1>,2|H<1>,4|C<3>}	118.5687	0.406	4	119.5872	1.109	163	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	120.1510	0.000	1	119.5872	1.109	163	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	120.2215	0.329	8	119.5872	1.109	163	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	119.2858	0.899	114	119.5872	1.109	163	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N){3|H<1>,4|C<3>}	120.9120	0.000	1	120.9120	0.000	1	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,4|C<3>}	118.8140	0.000	1	118.8140	0.000	1	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	120.6160	0.000	1	120.6160	0.000	1	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	120.4230	0.000	1	120.4230	0.000	1	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.5160	0.000	1	119.5160	0.000	1	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|Br<1>,1|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|C<2>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]Br){1|C<2>,1|N<3>,2|H<1>,3|C<3>}	120.6935	0.204	2	120.6935	0.042	2	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	119.5860	0.000	1	119.5860	0.000	1	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|C<2>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N){1|Br<1>,1|C<2>,2|H<1>,3|C<3>}	121.1030	0.482	2	121.3623	0.294	8	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N){1|N<3>,2|H<1>,4|C<3>}	121.4487	0.574	6	121.3623	0.294	8	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	121.8190	0.000	1	120.4210	0.844	8	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	120.2213	0.783	7	120.4210	0.844	8	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]O[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]O[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	119.9625	0.227	2	119.9625	0.052	2	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]S)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|N<3>,1|S<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]S)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N){1|N<3>,2|H<1>,4|C<3>}	121.5980	0.161	2	121.5980	0.026	2	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[4])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[4])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	119.5476	0.364	7	119.7164	0.241	11	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[4])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[4])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	120.0118	0.595	4	119.7164	0.241	11	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	119.7500	0.127	2	119.7500	0.016	2	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	118.5900	0.000	1	118.5900	0.000	1	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	118.5834	0.709	20	118.6483	0.381	31	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	118.9585	0.329	2	118.6483	0.381	31	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H){2|H<1>,2|S<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	118.9146	0.461	5	118.6483	0.381	31	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H){2|H<1>,2|S<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	118.4848	0.251	4	118.6483	0.381	31	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a])(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	121.5270	0.000	1	121.5270	0.000	1	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6])(C[6a]C[6a]H){1|F<1>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	118.8350	0.000	1	118.8350	0.000	1	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	118.8855	0.773	2	118.2828	0.956	9	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	119.8550	0.000	1	118.2828	0.956	9	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	117.8198	0.716	6	118.2828	0.956	9	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	119.8190	0.000	1	119.6371	1.000	18	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	121.1013	0.094	3	119.6371	1.000	18	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	119.3104	0.833	14	119.6371	1.000	18	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	119.9640	0.000	1	120.9140	0.433	4	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	121.2307	0.219	3	120.9140	0.433	4	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){2|H<1>,5|C<3>}	121.6480	0.000	1	121.6480	0.000	1	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	121.1847	0.222	3	121.1847	0.049	3	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]H)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	121.1740	0.000	1	119.7235	4.208	2	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,4|H<1>}	118.2730	0.000	1	119.7235	4.208	2	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	120.5083	0.895	62	120.5489	0.789	80	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	120.6888	0.873	18	120.5489	0.789	80	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<2>}	120.2130	0.000	1	120.2130	0.000	1	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	119.5650	0.902	2	119.5650	0.814	2	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a]C[6a])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a]C[6a])(H){1|H<1>,1|O<1>,1|S<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	122.2650	0.000	1	122.2650	0.000	1	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H){1|H<1>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	122.3230	0.027	2	122.3230	0.001	2	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H){1|H<1>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	121.3010	0.117	2	121.3010	0.014	2	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	122.2680	0.055	2	122.2680	0.003	2	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|Br<1>,1|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N){1|O<1>,3|C<3>,3|H<1>}	123.8870	0.000	1	123.8870	0.000	1	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|O<1>,3|C<3>,3|H<1>}	122.4450	0.000	1	122.4450	0.000	1	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	122.1780	0.000	1	122.1310	0.366	4	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|N<3>,3|C<3>}	122.9690	0.000	1	122.1310	0.366	4	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	121.6690	0.000	1	122.1310	0.366	4	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	121.7080	0.000	1	122.1310	0.366	4	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|C<2>,1|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	123.7705	0.042	2	123.6887	0.500	4	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|N<3>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	123.6070	1.213	2	123.6887	0.500	4	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[6])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[6])(H){1|Ir<6>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Ir<6>,1|O<1>,2|H<1>,3|C<3>}	121.0230	0.792	2	121.1193	0.341	3	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[6])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[6])(H){1|Pt<4>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Pt<4>,1|O<1>,2|H<1>,3|C<3>}	121.3120	0.000	1	121.1193	0.341	3	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|H<1>,2|N<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	122.0130	0.000	1	122.0130	0.000	1	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|F<1>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|F<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|F<1>,1|O<1>,2|H<1>,3|C<3>}	121.6180	0.000	1	121.6180	0.000	1	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,3|H<1>}	121.5740	0.000	1	121.6246	0.319	54	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,2|H<1>,3|C<3>}	121.2520	0.000	1	121.6246	0.319	54	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	121.9010	0.000	1	121.6246	0.319	54	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	122.2740	0.340	15	121.6246	0.319	54	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	121.3802	0.405	35	121.6246	0.319	54	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|O<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	120.5820	0.000	1	121.6246	0.319	54	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	122.2260	0.000	1	122.2260	0.000	1	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	120.9324	0.362	5	121.3324	0.269	20	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	121.4765	0.425	2	121.3324	0.269	20	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	121.1996	0.225	9	121.3324	0.269	20	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	122.0595	0.541	4	121.3324	0.269	20	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]I)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,1|I<1>,1|N<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]I){1|O<1>,2|H<1>,3|C<3>}	122.0610	0.000	1	122.0610	0.000	1	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	123.2000	0.000	1	123.2000	0.000	1	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	122.1870	1.090	2	122.1870	1.189	2	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	122.0280	0.000	1	122.1777	0.039	3	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	122.2525	0.211	2	122.1777	0.039	3	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,1|I<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	121.9540	0.000	1	121.9540	0.000	1	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|Br<1>,1|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]Br){1|Br<1>,1|O<1>,2|H<1>,3|C<3>}	123.9745	0.069	2	123.9745	0.005	2	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|C<2>,1|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|C<2>,1|O<1>,2|H<1>,3|C<3>}	123.5945	0.489	2	123.5945	0.239	2	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	122.0340	0.156	2	122.0230	0.589	4	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	122.0120	1.319	2	122.0230	0.589	4	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){2|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	123.3905	0.554	8	123.3905	0.306	8	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6a])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|N<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6a])(H){1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6a]){1|O<1>,2|H<1>,5|C<3>}	121.2500	0.000	1	121.2500	0.000	1	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	122.5990	0.859	5	122.5990	0.738	5	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	121.2520	0.000	1	121.2520	0.000	1	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Se)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|Se<2>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Se)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	122.8660	0.000	1	122.8660	0.000	1	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]P)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]P)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,1|P<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|P<2>,3|C<3>,3|H<1>}	120.4075	0.568	2	120.4075	0.322	2	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]P)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]P)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|P<2>,3|C<3>,3|H<1>}	119.3000	0.679	2	118.4452	0.330	12	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]P)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]P)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|P<4>,3|C<3>,3|H<1>}	118.2742	0.397	10	118.4452	0.330	12	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]Si)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]Si)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Si<4>,3|C<3>,3|H<1>}	117.5280	0.602	2	117.5280	0.363	2	120.3271	2.097	523	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	121.2139	0.497	16	121.2139	0.247	16	121.0698	0.209	273	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]H)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){3|C<3>,3|H<1>}	119.9400	0.000	1	119.9400	0.000	1	121.0698	0.209	273	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.1070	0.000	1	120.1070	0.000	1	121.0698	0.209	273	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|O<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	120.5130	0.000	1	121.3480	1.394	2	121.0698	0.209	273	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]H)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,3|C<3>}	122.1830	0.000	1	121.3480	1.394	2	121.0698	0.209	273	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	121.0525	0.532	2	121.0366	0.141	159	121.0698	0.209	273	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	121.0416	0.378	90	121.0366	0.141	159	121.0698	0.209	273	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	121.0140	0.392	46	121.0366	0.141	159	121.0698	0.209	273	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	121.0598	0.359	13	121.0366	0.141	159	121.0698	0.209	273	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	121.0560	0.301	2	121.0366	0.141	159	121.0698	0.209	273	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,2|S<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,2|S<2>}	121.0730	0.358	6	121.0366	0.141	159	121.0698	0.209	273	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	121.1740	0.364	14	121.1740	0.133	14	121.0698	0.209	273	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	121.8160	0.322	3	121.8160	0.104	3	121.0698	0.209	273	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	121.1260	0.037	2	121.0804	0.301	77	121.0698	0.209	273	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	121.1393	0.547	40	121.0804	0.301	77	121.0698	0.209	273	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	120.8760	0.400	4	121.0804	0.301	77	121.0698	0.209	273	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	120.0250	0.237	3	121.0804	0.301	77	121.0698	0.209	273	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	121.1489	0.545	20	121.0804	0.301	77	121.0698	0.209	273	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	121.1006	0.416	8	121.0804	0.301	77	121.0698	0.209	273	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]H)(H){5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[5,6a]C[6a]C[5]){2|H<1>,7|C<3>}	121.3257	0.320	3	121.3257	0.102	3	121.3257	0.102	3	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5]){2|H<1>,7|C<3>}	121.4400	0.000	1	121.4400	0.000	1	122.5938	2.718	4	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5]){2|H<1>,7|C<3>}	120.9290	0.000	1	120.9290	0.000	1	122.5938	2.718	4	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5]){1|H<1>,1|O<1>,7|C<3>}	124.0030	0.283	2	124.0030	0.080	2	122.5938	2.718	4	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]B[5]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]B[5]C[5])(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|B<3>,2|C<3>,2|H<1>}	121.0780	0.000	1	121.0780	0.000	1	120.1086	0.709	88	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	119.2110	0.544	2	119.2110	0.296	2	120.1086	0.709	88	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<4>,1|H<1>,3|C<3>}	118.4280	0.000	1	118.4280	0.000	1	120.1086	0.709	88	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){2|H<1>,3|C<3>}	117.6860	0.481	2	117.6860	0.231	2	120.1086	0.709	88	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|N<2>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|H<1>,1|O<2>,2|C<3>}	119.6230	0.000	1	119.3280	0.174	2	120.1086	0.709	88	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,2|N<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|N<2>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|H<1>,1|O<2>,2|C<3>}	119.0330	0.000	1	119.3280	0.174	2	120.1086	0.709	88	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]S)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,1|S<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|N<2>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]S){1|H<1>,1|O<2>,2|C<3>}	120.2970	0.352	2	120.2970	0.124	2	120.1086	0.709	88	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]O[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){2|C<3>,2|H<1>}	119.4490	0.000	1	119.2905	0.050	2	120.1086	0.709	88	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]O[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<4>,1|H<1>,2|C<3>}	119.1320	0.000	1	119.2905	0.050	2	120.1086	0.709	88	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5])(C[6a]C[6a]H){1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	119.6630	0.000	1	119.6630	0.000	1	120.1086	0.709	88	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|N<3>,2|C<3>,2|H<1>}	118.7850	0.499	2	118.7850	0.249	2	120.1086	0.709	88	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6,6]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6,6]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){2|C<3>,3|H<1>}	118.2120	0.000	1	118.2120	0.000	1	120.1086	0.709	88	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]O){1|C<4>,1|H<1>,3|C<3>}	119.0420	0.000	1	119.0420	0.000	1	120.1086	0.709	88	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	120.6250	0.000	1	120.6250	0.000	1	120.1086	0.709	88	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,1|S<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|S<2>,2|C<3>,2|H<1>}	120.1800	0.000	1	120.2810	0.020	2	120.1086	0.709	88	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	120.3820	0.000	1	120.2810	0.020	2	120.1086	0.709	88	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){3|H<1>,4|C<3>}	121.5780	0.000	1	121.5780	0.000	1	120.1086	0.709	88	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	121.1780	0.000	1	120.7668	0.304	11	120.1086	0.709	88	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<4>,1|H<1>,3|C<3>}	120.7770	0.000	1	120.7668	0.304	11	120.1086	0.709	88	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){2|H<1>,3|C<3>}	120.7818	0.606	8	120.7668	0.304	11	120.1086	0.709	88	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){2|C<3>,3|H<1>}	120.2260	0.000	1	120.7668	0.304	11	120.1086	0.709	88	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	119.5585	0.202	2	119.5585	0.041	2	120.1086	0.709	88	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){2|H<1>,3|C<3>}	120.3785	0.350	2	120.3785	0.123	2	120.1086	0.709	88	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	120.0637	0.137	3	119.9723	0.096	24	120.1086	0.709	88	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|P<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|P<4>,2|C<3>,2|H<1>}	119.9950	0.000	1	119.9723	0.096	24	120.1086	0.709	88	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|F<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|F<1>,1|H<1>,1|S<2>,2|C<3>}	119.9850	0.000	1	119.9723	0.096	24	120.1086	0.709	88	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|S<2>,2|C<3>,2|H<1>}	120.3790	0.000	1	119.9723	0.096	24	120.1086	0.709	88	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Cl<1>,1|H<1>,3|C<3>}	120.4270	0.000	1	119.9723	0.096	24	120.1086	0.709	88	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|H<1>,3|C<3>}	120.0817	0.251	6	119.9723	0.096	24	120.1086	0.709	88	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|H<1>,1|O<2>,3|C<3>}	120.3100	0.000	1	119.9723	0.096	24	120.1086	0.709	88	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|H<1>,4|C<3>}	119.5530	0.315	3	119.9723	0.096	24	120.1086	0.709	88	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,3|H<1>}	119.8427	0.266	7	119.9723	0.096	24	120.1086	0.709	88	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|P<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){2|C<3>,3|H<1>}	119.3710	0.369	2	119.3710	0.136	2	120.1086	0.709	88	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]Ru)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|Ru<5>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]Ru){2|C<3>,3|H<1>}	120.6269	0.633	25	120.6269	0.400	25	120.1086	0.709	88	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]N[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]N[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|N<3>,2|H<1>}	119.1160	0.000	1	119.1160	0.000	1	120.1086	0.709	88	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:I[5]-3:	C[5,6a](C[5,6a]C[6a]I[5])(C[5]N[5]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(I[5]O[5]O)	C[5,6a](C[5,6a]C[6a]I[5])(C[5]N[5]O[5])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|I<3>,1|N<3>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(I[5]O[5]O){1|C<3>,1|N<3>,2|H<1>}	118.8770	0.000	1	118.8770	0.000	1	118.8770	0.000	1	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[3,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[3,5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[3,5]O)(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[3,5]S){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	121.0340	0.000	1	121.0340	0.000	1	119.8252	3.194	23	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	121.7040	0.000	1	121.7040	0.000	1	119.8252	3.194	23	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]C){1|O<1>,2|H<1>,3|C<3>}	121.3190	0.000	1	121.3190	0.000	1	119.8252	3.194	23	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.7540	0.000	1	120.8894	0.021	5	119.8252	3.194	23	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.8700	0.133	2	120.8894	0.021	5	119.8252	3.194	23	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H){1|O<1>,2|H<1>,3|C<3>}	120.9765	0.182	2	120.8894	0.021	5	119.8252	3.194	23	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	122.2000	0.000	1	122.2000	0.000	1	119.8252	3.194	23	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	121.1225	0.243	2	120.9790	0.381	5	119.8252	3.194	23	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	120.0520	0.000	1	120.9790	0.381	5	119.8252	3.194	23	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	120.8740	0.000	1	120.9790	0.381	5	119.8252	3.194	23	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	121.7240	0.000	1	120.9790	0.381	5	119.8252	3.194	23	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	117.5420	0.000	1	117.5420	0.000	1	119.8252	3.194	23	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	117.4845	0.548	6	117.4845	0.301	6	119.8252	3.194	23	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|H<1>,1|N<3>,1|O<1>}	120.0640	0.000	1	120.0640	0.000	1	119.8252	3.194	23	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	117.8670	0.000	1	117.8670	0.000	1	119.8252	3.194	23	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]C[5]H)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]C[5]H){2|H<1>,3|C<3>}	119.4340	0.000	1	119.4340	0.000	1	119.4340	0.000	1	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-3:	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]O)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]O){2|C<3>,2|H<1>}	118.8030	0.000	1	118.8030	0.000	1	118.8030	0.000	1	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[3,5]-3:C[6a]-3:	C[5,6a](C[5,6a]N[3,5]C[6a])(C[5]C[3,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[3,5]C[3,5]C[3])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[3,5]C[6a])(C[5]C[3,5]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[3,5]C[3,5]C[3])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	120.9460	0.000	1	120.9460	0.000	1	120.9460	0.000	1	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[3x5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[3x5]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[3x5]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[3x5]O[5])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	119.6720	0.000	1	119.6720	0.000	1	120.3174	1.039	19	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	119.2048	0.287	4	119.2048	0.082	4	120.3174	1.039	19	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	121.1485	0.289	2	121.1485	0.084	2	120.3174	1.039	19	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	121.5010	0.290	4	121.1608	0.177	8	120.3174	1.039	19	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	120.7690	0.000	1	121.1608	0.177	8	120.3174	1.039	19	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|P<4>,2|H<1>,2|O<1>,3|C<3>}	120.8377	0.166	3	121.1608	0.177	8	120.3174	1.039	19	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]O[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	120.6190	0.000	1	119.6785	1.769	2	120.3174	1.039	19	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]O[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>,2|C<4>}	118.7380	0.000	1	119.6785	1.769	2	120.3174	1.039	19	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]N[5,5]Pd)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]N[5,5]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]N[5,5]Pd)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|C<3>,1|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]N[5,5]C[5])(C[6a]C[6a]H){1|Pd<4>,1|C<3>,2|C<4>,4|H<1>}	119.2995	0.192	2	119.2995	0.037	2	120.3174	1.039	19	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	118.5130	0.000	1	118.5130	0.000	1	120.5574	0.946	25	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	119.6800	0.000	1	119.6050	0.050	3	120.5574	0.946	25	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	119.7810	0.000	1	119.6050	0.050	3	120.5574	0.946	25	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	119.3540	0.000	1	119.6050	0.050	3	120.5574	0.946	25	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	120.7050	0.000	1	120.4585	0.122	2	120.5574	0.946	25	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	120.2120	0.000	1	120.4585	0.122	2	120.5574	0.946	25	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	120.6490	0.000	1	120.6490	0.000	1	120.5574	0.946	25	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	121.4445	0.071	2	121.4445	0.005	2	120.5574	0.946	25	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<2>,1|O<1>,3|C<3>,3|H<1>}	121.6070	0.081	2	121.0695	0.775	10	120.5574	0.946	25	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	120.7440	0.000	1	121.0695	0.775	10	120.5574	0.946	25	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	122.5030	0.000	1	121.0695	0.775	10	120.5574	0.946	25	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	121.0780	0.000	1	121.0695	0.775	10	120.5574	0.946	25	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	120.9255	0.008	2	121.0695	0.775	10	120.5574	0.946	25	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	119.7360	0.222	2	121.0695	0.775	10	120.5574	0.946	25	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	121.8330	0.000	1	121.0695	0.775	10	120.5574	0.946	25	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|H<1>,1|I<1>,1|N<3>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	121.6490	0.000	1	121.6490	0.000	1	120.5574	0.946	25	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]N[5,6]Cu)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]N[5,6]Cu)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cu<2>,1|C<3>,1|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]C[6])(C[6a]C[6a]H){1|Cu<2>,1|C<3>,2|C<4>,4|H<1>}	119.0370	0.000	1	119.0370	0.000	1	120.5574	0.946	25	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]N[5,6]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]B[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]N[5,6]H)(C[6a]C[6a]H){1|C<3>,2|B<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]B[6])(C[6a]C[6a]H){1|B<4>,1|C<3>,1|N<3>,2|C<4>,3|H<1>}	120.4800	0.040	2	120.4800	0.002	2	120.5574	0.946	25	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]N[5,6]Pd)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]N[5,6]Pd)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|C<3>,1|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]C[6])(C[6a]C[6a]H){1|Pd<4>,1|C<3>,2|C<4>,4|H<1>}	119.9060	0.045	2	119.9060	0.002	2	120.5574	0.946	25	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	120.1910	0.000	1	120.1910	0.000	1	120.1910	0.000	1	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]H)(H)	C[5,6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]H)(H){5|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5]){2|H<1>,6|C<3>}	121.3300	0.000	1	121.3300	0.000	1	121.3300	0.000	1	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5]){2|H<1>,7|C<3>}	121.9020	0.000	1	121.9020	0.000	1	122.0518	1.561	5	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|C<2>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5]){1|C<2>,3|H<1>,5|C<3>}	121.9950	0.000	1	121.9950	0.000	1	122.0518	1.561	5	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5]){3|H<1>,6|C<3>}	120.1530	0.000	1	120.1530	0.000	1	122.0518	1.561	5	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|O<1>,4|C<3>}	C[5,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5]){1|O<1>,1|S<2>,2|H<1>,5|C<3>}	123.5490	0.000	1	123.5490	0.000	1	122.0518	1.561	5	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|O<1>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5]){1|O<1>,3|H<1>,5|C<3>}	122.6600	0.000	1	122.6600	0.000	1	122.0518	1.561	5	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:N[5,5]-3:	C[5,6a](C[5,6a]C[6a,6a]N[5,5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])	C[5,6a](C[5,6a]C[6a,6a]N[5,5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5]){1|O<2>,2|H<1>,2|O<1>,5|C<3>}	121.7670	0.000	1	121.7670	0.000	1	121.7670	0.000	1	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	120.1610	0.000	1	120.2997	0.087	3	120.9573	1.788	4	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	120.3690	0.382	2	120.2997	0.087	3	120.9573	1.788	4	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H){2|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	122.9300	0.000	1	122.9300	0.000	1	120.9573	1.788	4	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6,6]C[6a])(C[5]C[5,3x6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6,6]C[5,3x6]C[6,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6,6]C[6a])(C[5]C[5,3x6]O)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](N[5,6,6]C[5,3x6]C[6,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	122.1720	0.000	1	122.1720	0.000	1	120.6382	1.070	4	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6,6]C[6a])(C[5]N[5,6,6]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6,6]N[5,6,6]B[3x6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6,6]C[6a])(C[5]N[5,6,6]C)(C[6a]C[6a]H){1|Nb<7>,1|B<4>,1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[5,6a](N[5,6,6]N[5,6,6]B[3x6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Nb<7>,1|C<3>,1|C<4>,2|N<3>,3|H<1>}	120.1270	0.192	3	120.1270	0.037	3	120.6382	1.070	4	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]C[5,5,6]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](N[5,6]C[5,5,6]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	121.7800	0.458	2	121.7800	0.210	2	120.7152	1.073	13	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]C[5,5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](N[5,6]C[5,5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	121.1390	0.000	1	121.4085	0.145	2	120.7152	1.073	13	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]C[5,5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](N[5,6]C[5,5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	121.6780	0.000	1	121.4085	0.145	2	120.7152	1.073	13	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]C[5,6,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6,6]O)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](N[5,6]C[5,6,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<1>}	121.2460	0.000	2	121.2460	0.000	2	120.7152	1.073	13	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](N[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	119.1850	0.000	1	119.1850	0.000	1	120.7152	1.073	13	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]C[5,6]C[6,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](N[5,6]C[5,6]C[6,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<4>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	121.1295	0.108	2	121.1295	0.012	2	120.7152	1.073	13	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]N[5,6]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]N[5,6]Ga[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]N[5,6]H)(C[6a]C[6a]H){2|Ga<4>,1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5,6a](N[5,6]N[5,6]Ga[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Ga<4>,1|C<3>,1|N<3>,2|C<4>,3|H<1>}	119.7460	0.870	4	119.7460	0.757	4	120.7152	1.073	13	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>,2|O<1>}	120.0250	0.000	1	120.0250	0.000	1	120.0250	0.000	1	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	P[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]P[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](P[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]P[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|P<3>,2|C<3>,2|H<1>}	C[5,6a](P[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	118.9460	0.000	1	118.9460	0.000	1	118.9460	0.000	1	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[5a,6a]H){1|C<2>,1|H<1>,1|S<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[5])(H){1|C<2>,6|C<3>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){1|H<1>,1|S<2>,4|C<3>}	120.2850	0.000	2	120.2850	0.000	2	120.5657	0.236	3	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[5a,6a]H){1|H<1>,1|S<4>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[5])(H){7|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){1|H<1>,1|S<4>,5|C<3>}	121.1270	0.000	1	121.1270	0.000	1	120.5657	0.236	3	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,1|S<2>,5|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5,6a]C[5,6a]C[5])(H){1|S<2>,6|C<3>}	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){1|H<1>,5|C<3>}	120.2045	0.432	4	120.2045	0.187	4	120.2312	0.144	5	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,1|S<2>,5|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5,6a]C[5,6a]C[5])(H){7|C<3>}	C[5,6a](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){1|H<1>,1|S<2>,5|C<3>}	120.3380	0.000	1	120.3380	0.000	1	120.2312	0.144	5	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a,6a]H){1|H<1>,1|S<4>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){1|H<1>,1|S<4>,5|C<3>}	121.0320	0.000	1	121.0320	0.000	1	121.0320	0.000	1	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a,6a]H){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|H<1>,6|C<3>}	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){1|H<1>,1|S<4>,4|C<3>}	120.8010	0.000	1	120.8010	0.000	1	120.8010	0.000	1	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){2|H<1>,5|C<3>}	120.2638	0.890	4	120.2638	0.792	4	120.2638	0.792	4	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:As[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(As[5]O[5]O)	C[6a](C[5,6a]C[5,6a]As[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]As[5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(As[5]O[5]O){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]As[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]As[5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|O<2>,2|H<1>}	120.5770	0.000	1	120.5770	0.000	1	120.5770	0.000	1	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:B[5]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(B[5]C[5]Br)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]F)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(B[5]C[5]Br){2|F<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(F){1|Br<1>,1|F<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]F){1|Br<1>,2|F<1>,4|C<3>}	118.8210	0.000	1	118.8210	0.000	1	118.8210	0.000	1	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:B[5]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:I[5]-3:	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]F)(B[5]O[5]O)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(F)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(I[5]O[5]Cl)	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]F)(B[5]O[5]O){1|Cl<1>,1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(F){1|C<3>,1|H<1>,1|I<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(I[5]O[5]Cl){1|C<3>,1|F<1>,1|H<1>,1|O<2>}	113.7245	0.141	2	113.7245	0.020	2	113.8210	0.040	4	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:B[5]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:I[5]-3:	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]F)(B[5]O[5]O)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(F)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(I[5]O[5]O)	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]F)(B[5]O[5]O){1|C<3>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(F){1|C<3>,1|H<1>,1|I<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(I[5]O[5]O){1|C<3>,1|F<1>,1|H<1>,1|O<2>}	113.9175	0.251	2	113.9175	0.063	2	113.8210	0.040	4	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:B[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]O[5]O)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]O[5]O){1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]H){1|C<3>,1|O<2>,2|H<1>}	118.9355	0.226	2	118.9355	0.051	2	118.9355	0.051	2	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:B[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:I[5]-3:	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(B[5]O[5]O)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(I[5]O[5]O)	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(B[5]O[5]O){1|C<3>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|I<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(I[5]O[5]O){1|C<3>,1|O<2>,2|H<1>}	116.4370	0.000	1	116.4370	0.000	1	116.4370	0.000	1	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6]O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	122.7835	0.162	2	122.7835	0.026	2	122.7835	0.026	2	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6a]C){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H){1|C<2>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|C<2>,2|H<1>,4|C<3>}	121.6470	0.167	2	120.9005	0.406	6	120.8026	2.096	11	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6a]C){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H){1|C<4>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|C<4>,2|H<1>,4|C<3>}	120.5273	0.332	4	120.9005	0.406	6	120.8026	2.096	11	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6a]O){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H){1|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|O<1>,2|H<1>,4|C<3>}	122.1413	0.562	3	122.1413	0.316	3	120.8026	2.096	11	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6a]P)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6a]P){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H){1|P<2>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|P<2>,2|H<1>,4|C<3>}	118.5010	1.508	2	118.5010	2.273	2	120.8026	2.096	11	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]N[5])(H){1|C<4>,1|O<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	123.5005	0.422	4	123.5005	0.178	4	122.7791	0.258	51	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]S[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|S<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]S[5])(H){1|N<3>,1|O<1>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|S<2>}	122.0045	0.205	4	121.9473	0.044	6	122.7791	0.258	51	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]S[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O){1|H<1>,1|O<1>,1|S<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]S[5])(H){1|N<3>,1|O<1>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O){1|H<1>,1|O<1>,1|S<2>,2|C<3>}	121.8330	0.231	2	121.9473	0.044	6	122.7791	0.258	51	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])2(H){2|N<3>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	122.8163	0.378	28	122.7970	0.140	32	122.7791	0.258	51	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])2(H){2|N<3>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O){1|H<1>,1|O<1>,3|C<3>}	122.6623	0.366	4	122.7970	0.140	32	122.7791	0.258	51	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]N[6])(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O){1|N<3>,1|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])2(H){2|N<3>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]N[6])(C[5]N[5]O){1|H<1>,1|O<1>,5|C<3>}	122.9080	0.853	2	122.9080	0.727	2	122.7791	0.258	51	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]O){1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])2(H){2|O<1>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]O){1|H<1>,1|O<1>,2|C<3>}	122.9613	0.314	7	122.9613	0.099	7	122.7791	0.258	51	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]N[5])(H){1|C<4>,1|N<3>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(N[5]C[5]C){1|H<1>,1|O<1>,3|C<3>}	121.4310	0.100	2	121.4310	0.010	2	121.4310	0.010	2	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5a,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]H)(C[5]C[5,6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]H)(C[5]C[5,6a]C){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(H){1|C<2>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){1|C<2>,2|H<1>,4|C<3>}	120.8955	0.777	2	120.8955	0.604	2	121.1310	0.468	3	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5a,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]H)(C[5]C[5,6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]H)(C[5]C[5,6a]C){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(H){1|C<2>,6|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){1|C<2>,1|H<1>,5|C<3>}	121.6020	0.000	1	121.6020	0.000	1	121.1310	0.468	3	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(H){1|O<1>,2|C<3>,2|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]O[5]O){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	121.2430	0.447	2	121.2430	0.200	2	121.3713	0.190	4	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]O[6])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]O[5]O){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]O[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	121.4995	0.551	2	121.4995	0.303	2	121.3713	0.190	4	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(Br)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]O[5]O){2|Br<1>,1|C<3>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(Br){1|Br<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]O[5]O){2|Br<1>,1|C<3>,1|O<1>}	121.6608	0.225	16	121.6608	0.051	16	121.6608	0.051	16	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Br){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|H<1>,1|O<1>,2|C<3>}	118.7120	0.000	1	118.7120	0.000	1	119.0520	0.231	2	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5]C[5]O){1|C<3>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Br){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Br<1>,1|C<3>,1|H<1>,2|O<1>}	119.3920	0.000	1	119.3920	0.000	1	119.0520	0.231	2	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a]C[6a])(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O){1|Cl<1>,1|C<4>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a]C[6a])(Cl){1|Cl<1>,1|N<3>,1|O<1>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O){2|Cl<1>,1|C<3>,1|C<4>,1|O<1>}	120.6920	0.000	1	120.6920	0.000	1	121.3836	0.117	39	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O){2|Cl<1>,1|B<4>,1|C<3>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O){2|Cl<1>,1|B<4>,1|C<3>,1|O<1>}	121.0090	0.477	2	121.4139	0.109	36	121.3836	0.117	39	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O){2|Cl<1>,1|C<3>,1|C<4>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O){2|Cl<1>,1|C<3>,1|C<4>,1|O<1>}	121.3785	0.340	6	121.4139	0.109	36	121.3836	0.117	39	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O){2|Cl<1>,1|C<3>,1|C<4>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl){1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O){1|Cl<1>,1|C<4>,1|O<1>,2|C<3>}	121.5250	0.000	1	121.4139	0.109	36	121.3836	0.117	39	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O){2|Cl<1>,1|C<3>,1|H<1>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O){2|Cl<1>,1|C<3>,1|H<1>,1|O<1>}	121.3000	0.314	2	121.4139	0.109	36	121.3836	0.117	39	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O){2|Cl<1>,1|C<3>,1|O<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O){2|Cl<1>,1|C<3>,1|O<1>,1|O<2>}	121.3075	0.272	4	121.4139	0.109	36	121.3836	0.117	39	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O){2|Cl<1>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O){2|Cl<1>,1|O<1>,2|C<3>}	121.4884	0.329	21	121.4139	0.109	36	121.3836	0.117	39	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]O[5]O){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]O[5]O){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>}	121.1835	0.158	2	121.1835	0.025	2	121.3836	0.117	39	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]C){1|C<3>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>}	117.5360	0.000	1	117.5360	0.000	1	119.2760	1.186	9	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]N){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|O<1>}	118.6100	0.048	2	118.6100	0.002	2	119.2760	1.186	9	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]O){1|Cl<1>,1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]H){1|Cl<1>,1|C<3>,1|H<1>,2|O<1>}	119.8050	0.000	1	119.8050	0.000	1	119.2760	1.186	9	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>,2|O<1>}	120.8460	0.000	1	120.8460	0.000	1	119.2760	1.186	9	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]O){1|C<3>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){2|Cl<1>,1|C<3>,2|O<1>}	119.0610	0.000	1	119.0713	0.091	3	119.2760	1.186	9	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]O){1|C<3>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|C<3>,1|H<1>,2|O<1>}	119.0765	0.426	2	119.0713	0.091	3	119.2760	1.186	9	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(Cl){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>,2|O<1>}	120.8630	0.000	1	120.8630	0.000	1	119.2760	1.186	9	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:S[5]-3:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]Cl)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]O)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]Cl)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|O<1>,1|S<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]O){2|Cl<1>,1|O<1>,2|C<3>}	117.9970	0.517	3	117.9970	0.267	3	117.9970	0.267	3	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]N[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]N[5]N){1|Ni<4>,1|C<3>,1|O<1>,2|F<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(F){1|F<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]N[5]O){1|Ni<4>,1|C<3>,1|N<2>,2|F<1>}	119.8790	0.000	1	119.8790	0.000	1	120.6739	0.247	14	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]N[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]N[5]O){1|Ni<4>,1|C<3>,1|N<2>,2|F<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(F){1|F<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]N[5]N){1|Ni<4>,1|C<3>,1|O<1>,2|F<1>}	121.8950	0.000	1	121.8950	0.000	1	120.6739	0.247	14	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|F<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(F){1|F<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|F<1>}	120.9290	0.008	2	120.6383	0.097	12	120.6739	0.247	14	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]N[5]O){1|C<3>,1|H<1>,1|O<1>,2|F<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(F){1|F<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]N[5]O){1|C<3>,1|H<1>,1|O<1>,2|F<1>}	120.7835	0.429	2	120.6383	0.097	12	120.6739	0.247	14	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]N[5]O){1|O<1>,2|C<3>,2|F<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(F){1|F<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]N[5]O){1|O<1>,2|C<3>,2|F<1>}	120.5255	0.230	4	120.6383	0.097	12	120.6739	0.247	14	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]N[5]O){1|Sn<4>,1|C<3>,1|O<1>,2|F<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(F){1|F<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]N[5]O){1|Sn<4>,1|C<3>,1|O<1>,2|F<1>}	120.5333	0.373	4	120.6383	0.097	12	120.6739	0.247	14	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]F)(C[5]N[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]N[5]B)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]F)(C[5]N[5]C){1|Cu<4>,1|B<4>,1|C<3>,2|F<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(F){1|C<3>,1|C<4>,1|F<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]N[5]B){1|Cu<4>,1|C<3>,1|C<4>,2|F<1>}	120.5300	0.630	3	120.5300	0.397	3	120.5300	0.397	3	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:As[5]-3:C[6a]-3:	C[5,6a](C[5,6a]As[5]C[6a])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(As[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]As[5]C[6a])(C[6a]C[6a]H)(C[5]C[5]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|As<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(As[5]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	119.1605	0.158	2	119.1605	0.025	2	119.1605	0.025	2	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	121.8710	0.000	1	121.8710	0.000	1	123.1555	3.300	2	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|H<1>,1|O<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]O)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	124.4400	0.000	1	124.4400	0.000	1	123.1555	3.300	2	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:Ge[5]-3:	C[5,6a](C[5,6a]C[5,6a]Ge[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5])(Ge[5]Ge[5]N[5])	C[5,6a](C[5,6a]C[5,6a]Ge[5])(C[6a]C[6a]H)(C[5]N[5]C){1|Ge<3>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(H){1|Ge<3>,1|C<3>,1|C<4>,1|N<3>,1|O<2>}	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5])(Ge[5]Ge[5]N[5]){1|H<1>,1|N<3>,1|O<2>,2|C<4>,3|C<3>}	122.2950	0.653	2	122.2950	0.427	2	122.4560	0.178	4	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:Ge[5]-3:	C[5,6a](C[5,6a]C[5,6a]Ge[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5])(Ge[5]N[5]Cl)	C[5,6a](C[5,6a]C[5,6a]Ge[5])(C[6a]C[6a]H)(C[5]N[5]C){1|Cl<1>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(H){1|Ge<3>,1|C<3>,1|C<4>,1|N<3>,1|O<2>}	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5])(Ge[5]N[5]Cl){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	122.6170	0.062	2	122.6170	0.004	2	122.4560	0.178	4	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	118.1070	0.000	1	118.1070	0.000	1	120.9494	1.874	89	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.3100	0.000	1	119.3100	0.000	1	120.9494	1.874	89	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]B[5]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|B<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]B[5]C[5])(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<3>}	119.1560	0.000	1	119.1560	0.000	1	120.9494	1.874	89	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	119.0600	0.000	1	119.0728	0.278	11	120.9494	1.874	89	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	118.7560	0.000	1	119.0728	0.278	11	120.9494	1.874	89	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	118.9760	0.000	1	119.0728	0.278	11	120.9494	1.874	89	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.1261	0.615	8	119.0728	0.278	11	120.9494	1.874	89	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	121.2910	0.000	1	121.2910	0.000	1	120.9494	1.874	89	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	121.3210	0.069	2	121.3210	0.005	2	120.9494	1.874	89	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6,6]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6,6]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	121.3950	0.000	1	121.3950	0.000	1	120.9494	1.874	89	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5])(C[6a]C[6a]H){1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	121.6220	0.000	1	121.6220	0.000	1	120.9494	1.874	89	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	120.6025	0.276	2	120.6025	0.076	2	120.9494	1.874	89	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a]C[6a])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a]C[6a])(H){1|H<1>,1|O<1>,1|S<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	121.7260	0.000	1	121.7260	0.000	1	120.9494	1.874	89	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H){1|H<1>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	122.2260	0.151	2	122.2260	0.023	2	120.9494	1.874	89	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	122.2500	0.000	1	122.2500	0.000	1	120.9494	1.874	89	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|F<1>,1|H<1>,1|S<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	121.9920	0.000	1	121.9920	0.000	1	120.9494	1.874	89	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	122.3310	0.221	2	122.3310	0.049	2	120.9494	1.874	89	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,2|N<3>}	122.5850	0.349	2	122.5850	0.122	2	120.9494	1.874	89	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	121.3300	0.000	1	121.8453	0.201	20	120.9494	1.874	89	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	121.5807	0.313	3	121.8453	0.201	20	120.9494	1.874	89	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|P<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|P<4>,2|H<1>,3|C<3>}	121.9430	0.000	1	121.8453	0.201	20	120.9494	1.874	89	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,1|S<2>,3|C<3>}	121.2370	0.000	1	121.8453	0.201	20	120.9494	1.874	89	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	121.4120	0.000	1	121.8453	0.201	20	120.9494	1.874	89	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	122.3001	0.294	7	121.8453	0.201	20	120.9494	1.874	89	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	121.6900	0.303	6	121.8453	0.201	20	120.9494	1.874	89	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	122.1360	0.000	1	122.1360	0.000	1	120.9494	1.874	89	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|O<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]O){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	123.1990	0.000	1	123.1990	0.000	1	120.9494	1.874	89	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|P<4>,3|C<3>,3|H<1>}	120.0295	0.161	2	120.0295	0.026	2	120.9494	1.874	89	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]Ru)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]Ru){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Ru<5>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]C){1|Ru<5>,3|C<3>,3|H<1>}	119.9460	0.000	1	119.9460	0.000	1	120.9494	1.874	89	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]Ru)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]Ru){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Ru<5>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|Ru<5>,3|C<3>,3|H<1>}	120.1274	0.782	25	120.1274	0.611	25	120.9494	1.874	89	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]N[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]N[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	121.1400	0.000	1	121.1400	0.000	1	120.9494	1.874	89	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	122.9250	0.000	1	123.0395	0.026	2	120.9494	1.874	89	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,2|N<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,2|N<2>}	123.1540	0.000	1	123.0395	0.026	2	120.9494	1.874	89	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	123.1965	0.433	2	123.1965	0.188	2	120.9494	1.874	89	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]S)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]S){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|N<2>,1|O<2>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,1|S<2>,2|C<3>}	122.3510	0.332	2	122.3510	0.110	2	120.9494	1.874	89	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]O[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	123.0220	0.000	1	123.0220	0.000	1	120.9494	1.874	89	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]O[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	122.9470	0.000	1	122.9470	0.000	1	120.9494	1.874	89	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:As[5]-3:	C[5,6a](C[5,6a]As[5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(As[5]O[5]O)	C[5,6a](C[5,6a]As[5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|As<3>,1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(As[5]O[5]O){1|C<3>,1|O<1>,2|H<1>}	121.4220	0.000	1	121.4220	0.000	1	121.4220	0.000	1	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:B[5]-3:	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]O[5]O)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]H){1|C<3>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]O[5]O){1|C<3>,3|H<1>}	121.9490	0.099	2	121.9490	0.010	2	121.9490	0.010	2	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]B[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]B[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]B[5]C){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]B[5]C){1|N<3>,2|H<1>,3|C<3>}	119.2285	0.568	2	119.2285	0.322	2	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){1|Cl<1>,1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){1|Cl<1>,1|C<4>,1|H<1>,5|C<3>}	120.3970	0.429	2	120.3970	0.184	2	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){1|C<4>,2|H<1>,5|C<3>}	120.1190	0.216	4	120.1190	0.047	4	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){1|C<3>,2|N<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|C<4>,3|H<1>}	119.2860	0.000	1	119.1280	0.050	2	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){2|C<3>,3|H<1>}	118.9700	0.000	1	119.1280	0.050	2	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|N<3>,2|C<3>,2|H<1>}	119.7135	0.043	2	119.7135	0.002	2	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]B)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]B){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|B<3>,1|C<3>,3|H<1>}	118.9950	0.000	1	118.9950	0.000	1	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	120.5150	0.000	1	120.5150	0.000	1	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	120.4494	0.208	5	120.4494	0.043	5	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]B)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|B<3>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]B){1|C<3>,1|C<4>,3|H<1>}	120.3820	0.000	1	120.3820	0.000	1	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Cl<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Cl<1>,2|C<3>,2|H<1>}	119.3560	0.071	2	120.3926	1.492	28	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Ir<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Ir<6>,2|C<3>,2|H<1>}	120.5770	1.178	2	120.3926	1.492	28	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Pd<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Pd<4>,2|C<3>,2|H<1>}	120.2545	0.844	4	120.3926	1.492	28	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Pd<5>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Pd<5>,1|C<4>,2|C<3>,2|H<1>}	119.9340	0.061	2	120.3926	1.492	28	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Rh<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Rh<6>,2|C<3>,2|H<1>}	120.4915	0.131	2	120.3926	1.492	28	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Si<4>,1|C<2>,1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	118.1610	0.379	2	120.3926	1.492	28	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Si<4>,1|C<2>,1|C<3>,2|H<1>}	123.7090	0.429	2	120.3926	1.492	28	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){2|C<3>,3|H<1>}	120.5874	0.249	8	120.3926	1.492	28	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){2|H<1>,3|C<3>}	120.2048	0.527	4	120.3926	1.492	28	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	119.0445	0.286	2	120.0522	0.878	12	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.7180	0.000	1	120.0522	0.878	12	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){2|C<3>,3|H<1>}	120.6000	0.000	1	120.0522	0.878	12	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Si<4>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Si<4>,2|C<3>,2|H<1>}	119.8170	0.024	2	120.0522	0.878	12	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Cl<1>,1|H<1>,3|C<3>}	121.5950	0.000	1	120.0522	0.878	12	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){2|H<1>,3|C<3>}	119.9980	1.036	5	120.0522	0.878	12	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]I)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|I<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]I){2|H<1>,3|C<3>}	119.1930	0.000	1	119.1930	0.000	1	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<2>,1|C<3>,1|N<3>,2|H<1>}	120.3200	0.000	1	120.3200	0.000	1	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|I<1>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|I<1>,2|C<3>,2|H<1>}	121.1810	0.000	1	119.5107	0.524	26	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	119.5690	0.000	1	119.5107	0.524	26	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|N<3>,2|H<1>,3|C<3>}	118.9785	1.183	2	119.5107	0.524	26	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<2>,2|C<3>,2|H<1>}	121.3190	0.000	1	119.5107	0.524	26	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	120.7560	0.000	1	119.5107	0.524	26	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Cl<1>,1|H<1>,3|C<3>}	119.1090	0.140	2	119.5107	0.524	26	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|H<1>,3|C<3>}	119.3087	0.405	16	119.5107	0.524	26	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|H<1>,1|O<2>,3|C<3>}	119.6700	0.047	2	119.5107	0.524	26	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]S)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|S<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]S){2|C<3>,3|H<1>}	119.1430	0.000	1	119.1430	0.000	1	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|O<2>,2|C<3>,2|H<1>}	120.0465	0.218	2	120.0465	0.048	2	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<2>,2|C<3>,3|H<1>}	119.8350	0.000	1	119.8350	0.000	1	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Br<1>,1|C<2>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<2>,2|C<3>,3|H<1>}	120.9270	0.000	1	120.7825	0.042	2	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,1|S<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|S<2>,3|H<1>}	120.6380	0.000	1	120.7825	0.042	2	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){2|C<3>,3|H<1>}	120.1530	0.000	1	120.1530	0.000	1	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){1|C<3>,2|N<3>,5|H<1>}	119.0320	0.000	1	120.1500	2.500	2	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){3|C<3>,4|H<1>}	121.2680	0.000	1	120.1500	2.500	2	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<2>,3|H<1>}	120.1650	0.000	1	120.8215	0.425	11	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	121.4505	0.066	2	120.8215	0.425	11	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Si<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Si<4>,1|C<3>,3|H<1>}	121.1180	0.119	2	120.8215	0.425	11	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,4|H<1>}	120.3110	0.000	1	120.8215	0.425	11	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){2|C<3>,3|H<1>}	120.6848	0.788	5	120.8215	0.425	11	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,3|H<1>}	119.7750	0.000	1	119.8153	0.033	3	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|S<2>,2|C<3>,3|H<1>}	120.0140	0.000	1	119.8153	0.033	3	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){3|C<3>,3|H<1>}	119.6570	0.000	1	119.8153	0.033	3	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|N<3>,1|P<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,1|N<3>,3|H<1>}	120.1793	0.234	3	119.5493	0.178	15	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|N<4>,1|P<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,1|N<4>,3|H<1>}	119.3968	0.182	5	119.5493	0.178	15	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|P<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,4|H<1>}	118.6940	0.000	1	119.5493	0.178	15	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|P<4>,1|S<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,1|S<3>,3|H<1>}	119.5620	0.000	1	119.5493	0.178	15	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|P<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,4|H<1>}	119.5297	0.250	3	119.5493	0.178	15	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,2|H<1>,2|P<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,1|P<4>,3|H<1>}	119.4360	0.245	2	119.5493	0.178	15	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<2>,3|H<1>}	120.7265	0.267	2	120.7265	0.071	2	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]I)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]I){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|I<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|I<1>,2|C<3>,2|H<1>}	121.6030	0.000	1	121.6030	0.000	1	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<2>,1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	120.9740	0.000	1	120.9740	0.000	1	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	120.2585	0.370	2	120.6443	0.515	3	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|N<3>,2|C<3>,2|H<1>}	121.4160	0.000	1	120.6443	0.515	3	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.7570	0.300	4	120.1512	0.281	18	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	120.0250	0.432	8	120.1512	0.281	18	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	120.1850	0.000	1	120.1512	0.281	18	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|N<3>,2|C<3>,2|H<1>}	119.8480	0.626	4	120.1512	0.281	18	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|N<2>,2|C<3>,2|H<1>}	119.9160	0.000	1	120.1512	0.281	18	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]S)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]S){1|N<2>,2|C<3>,2|H<1>}	121.1800	0.867	2	121.1800	0.752	2	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|N<1>,1|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H){1|C<2>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]O){1|C<2>,1|H<1>,1|O<1>,2|C<3>}	122.5000	0.000	1	122.5000	0.000	1	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]S)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]S){1|O<1>,2|C<3>,2|H<1>}	122.5190	0.000	1	122.5190	0.000	1	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	122.4785	0.247	2	122.4785	0.061	2	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	121.9505	0.442	2	121.9505	0.195	2	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	121.2140	0.000	1	122.3307	0.690	23	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|F<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<1>}	121.7180	0.000	1	122.3307	0.690	23	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	121.7370	0.000	1	122.3307	0.690	23	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|I<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|I<1>,1|O<1>,2|H<1>}	120.7210	0.000	1	122.3307	0.690	23	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	122.3955	0.416	2	122.3307	0.690	23	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	121.4810	0.000	1	122.3307	0.690	23	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	122.6216	0.746	16	122.3307	0.690	23	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Br<1>,1|C<2>,1|H<1>,1|O<1>,2|C<3>}	118.2850	0.000	1	121.2694	2.836	5	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|S<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,1|S<2>}	121.7150	0.000	1	121.2694	2.836	5	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	122.2790	0.000	1	121.2694	2.836	5	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|S<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	121.8740	0.000	1	121.2694	2.836	5	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	122.1940	0.000	1	121.2694	2.836	5	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	121.3335	0.371	4	121.5111	0.189	18	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	121.5440	0.000	1	121.5111	0.189	18	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	121.3875	0.458	8	121.5111	0.189	18	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|O<2>,2|C<3>,2|H<1>}	121.7160	0.000	1	121.5111	0.189	18	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|O<1>,2|C<3>,2|H<1>}	121.8762	0.411	4	121.5111	0.189	18	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	121.0605	0.320	18	121.1373	0.297	194	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	121.2048	0.604	8	121.1373	0.297	194	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	121.6622	0.502	5	121.1373	0.297	194	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	121.1825	0.333	4	121.1373	0.297	194	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	121.1872	1.163	5	121.1373	0.297	194	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	121.0565	0.389	6	121.1373	0.297	194	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	122.1160	0.000	1	121.1373	0.297	194	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	119.2740	0.000	1	121.1373	0.297	194	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	121.2465	0.490	2	121.1373	0.297	194	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	121.2630	0.008	2	121.1373	0.297	194	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<1>,1|S<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<1>,1|S<3>,2|H<1>}	121.3575	0.411	6	121.1373	0.297	194	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	121.0086	0.261	10	121.1373	0.297	194	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	118.7660	0.000	1	121.1373	0.297	194	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	121.1020	0.295	4	121.1373	0.297	194	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	120.9638	0.766	4	121.1373	0.297	194	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	121.4096	0.252	10	121.1373	0.297	194	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	120.7686	0.714	5	121.1373	0.297	194	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	121.3005	0.033	2	121.1373	0.297	194	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	121.1174	0.413	66	121.1373	0.297	194	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<2>,2|C<3>,2|H<1>}	121.5501	0.487	7	121.1373	0.297	194	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,2|C<3>,3|H<1>}	120.9790	0.666	2	121.1373	0.297	194	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,2|H<1>,3|C<3>}	121.2230	0.551	18	121.1373	0.297	194	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	120.8289	0.926	7	121.1373	0.297	194	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]S)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,2|H<1>,2|S<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]S){1|C<3>,1|O<1>,1|S<2>,2|H<1>}	121.8610	0.000	1	121.8313	0.022	3	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]S)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]S){1|O<1>,2|C<3>,2|H<1>}	121.8165	0.206	2	121.8313	0.022	3	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]Si)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Si<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]Si){1|O<1>,2|C<3>,2|H<1>}	122.3210	0.000	1	122.3210	0.000	1	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	122.8100	0.000	1	122.8100	0.000	1	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	122.9275	0.071	2	122.7433	0.104	3	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	122.3750	0.000	1	122.7433	0.104	3	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|N<3>,1|P<4>,2|H<1>}	117.4887	0.092	3	118.7903	0.538	15	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,1|N<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|N<4>,1|P<4>,2|H<1>}	119.2404	0.088	5	118.7903	0.538	15	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,1|P<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,2|H<1>,2|P<4>}	118.8410	0.165	2	118.7903	0.538	15	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,1|S<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|P<4>,1|S<3>,2|H<1>}	118.5290	0.000	1	118.7903	0.538	15	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|P<3>,3|H<1>}	119.6050	0.000	1	118.7903	0.538	15	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|P<4>,3|H<1>}	119.1233	0.381	3	118.7903	0.538	15	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]S)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]S){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|S<4>,3|H<1>}	122.3060	0.000	1	122.3060	0.000	1	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]S)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]S){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|S<4>,2|C<3>,2|H<1>}	119.5600	1.512	2	119.5600	2.286	2	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]S)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]S){1|C<3>,1|O<1>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,2|H<1>,2|S<2>}	120.2180	0.000	1	119.9670	0.108	4	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]S)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]S){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	119.5060	0.000	1	119.9670	0.108	4	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]S)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]S){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|S<4>,2|C<3>,2|H<1>}	120.0720	0.164	2	119.9670	0.108	4	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]Si)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]Si){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Si<4>,2|C<3>,2|H<1>}	119.4400	0.000	1	119.4400	0.000	1	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]Si)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]Si)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]Si){1|Si<4>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]Si){1|Si<4>,1|C<3>,3|H<1>}	119.0592	0.222	4	119.0592	0.049	4	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]2){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|N<3>,2|H<1>}	120.2210	0.421	2	120.2210	0.178	2	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<2>,1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<2>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<2>,1|H<1>,2|C<3>}	120.2640	0.000	1	120.2640	0.000	1	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]2){2|C<3>,2|C<4>,2|H<1>}	120.6660	0.526	2	120.6660	0.277	2	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){2|C<3>,2|H<1>}	120.9348	1.582	5	120.9348	2.504	5	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|Cl<1>,1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Cl){2|C<3>,2|H<1>}	119.0115	0.227	2	119.0115	0.052	2	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){2|C<3>,2|H<1>}	119.8800	1.040	3	120.0230	0.502	6	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){2|C<3>,2|H<1>}	120.1660	0.336	3	120.0230	0.502	6	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|C<3>,2|H<1>}	119.7011	0.626	15	119.6558	0.684	55	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|N<3>,2|C<3>,2|H<1>}	118.2760	0.611	7	119.6558	0.684	55	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<2>,2|C<3>,2|H<1>}	119.3665	0.028	2	119.6558	0.684	55	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){2|C<3>,3|H<1>}	119.9624	0.584	25	119.6558	0.684	55	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){2|H<1>,3|C<3>}	119.9710	0.958	6	119.6558	0.684	55	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.3350	0.000	1	120.3350	0.000	1	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){2|C<3>,3|H<1>}	122.3585	0.076	2	122.3585	0.006	2	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5a])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5a])(H){1|H<1>,1|N<3>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){2|C<3>,3|H<1>}	120.9070	0.000	1	120.9070	0.000	1	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){2|C<3>,3|H<1>}	122.1760	0.000	1	122.1760	0.000	1	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Cl){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|Cl<1>,1|C<3>,2|H<1>}	121.7480	0.000	1	121.7480	0.000	1	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<2>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<2>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<2>,1|C<3>,1|H<1>,1|N<3>}	122.6610	0.000	1	122.6610	0.000	1	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<2>,1|C<3>,1|H<1>,1|N<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<2>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<2>,1|C<3>,1|H<1>,1|N<3>}	122.2140	0.000	1	121.3016	0.310	5	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<2>,1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<2>,2|C<3>,2|N<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<2>,1|C<3>,1|H<1>,1|N<2>}	121.3420	0.000	1	121.3016	0.310	5	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,2|C<3>,2|N<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	120.9840	0.225	3	121.3016	0.310	5	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|N<3>,2|H<1>}	121.8587	0.307	3	121.9472	0.074	6	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|N<2>,2|H<1>}	122.0357	0.259	3	121.9472	0.074	6	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,1|N<3>,2|H<1>}	121.6445	0.284	11	121.4561	0.954	53	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,1|N<2>,2|H<1>}	121.5371	1.235	31	121.4561	0.954	53	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,1|N<2>,2|H<1>}	121.0394	0.235	11	121.4561	0.954	53	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	120.4792	0.803	5	121.1232	1.330	17	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.3520	0.000	1	121.1232	1.330	17	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|N<1>,3|H<1>}	120.9980	0.000	1	121.1232	1.330	17	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|Cu<4>,1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Cu<4>,1|C<3>,1|N<2>,2|H<1>}	121.4620	0.000	1	121.1232	1.330	17	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|N<2>,2|C<3>,2|H<1>}	119.5135	1.199	2	121.1232	1.330	17	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|Pd<4>,1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Pd<4>,1|C<3>,1|N<2>,2|H<1>}	121.2670	0.000	1	121.1232	1.330	17	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|Re<6>,1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Re<6>,1|C<3>,1|N<2>,2|H<1>}	122.2655	0.537	6	121.1232	1.330	17	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a]C[6a])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a]C[6a])(H){1|H<1>,1|N<3>,1|O<1>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	122.1340	0.085	2	121.7593	0.425	3	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a]C[6a])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a]C[6a])(H){1|N<2>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	121.0100	0.000	1	121.7593	0.425	3	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	122.2465	0.545	10	122.1317	0.359	13	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	121.7490	0.731	3	122.1317	0.359	13	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	121.1215	0.682	2	121.4938	0.454	9	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Br<1>,1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|Br<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Br<1>,1|C<3>,1|O<1>,2|H<1>}	121.5093	0.878	4	121.4938	0.454	9	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Br<1>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	121.7213	0.459	3	121.4938	0.454	9	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	122.4110	0.000	1	121.7460	0.158	15	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	121.6280	0.000	1	121.7460	0.158	15	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	122.0935	0.330	2	121.7460	0.158	15	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	121.6380	0.434	6	121.7460	0.158	15	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	121.7530	0.300	2	121.7460	0.158	15	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	121.6010	0.407	2	121.7460	0.158	15	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	121.4280	0.000	1	121.7460	0.158	15	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	122.2090	0.000	1	121.8228	0.155	6	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>}	121.6428	0.359	4	121.8228	0.155	6	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	122.1570	0.000	1	121.8228	0.155	6	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	122.5470	0.000	1	122.5470	0.000	1	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	122.3419	0.411	15	122.1310	0.443	61	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	122.9710	0.607	7	122.1310	0.443	61	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	122.2455	0.145	2	122.1310	0.443	61	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|O<1>,3|H<1>}	122.0398	0.353	27	122.1310	0.443	61	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	120.3950	0.000	1	122.1310	0.443	61	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|O<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	120.7577	1.296	3	122.1310	0.443	61	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|O<1>,2|C<3>,2|H<1>}	121.9722	0.384	6	122.1310	0.443	61	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	122.0798	0.367	5	121.8527	0.221	17	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	121.7500	0.000	1	121.8527	0.221	17	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|N<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,1|O<1>,3|H<1>}	121.9770	0.000	1	121.8527	0.221	17	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Cu<4>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|Cu<4>,1|C<3>,1|O<1>,2|H<1>}	121.6480	0.000	1	121.8527	0.221	17	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|O<1>,2|C<3>,2|H<1>}	122.1340	0.741	2	121.8527	0.221	17	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Pd<4>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|Pd<4>,1|C<3>,1|O<1>,2|H<1>}	121.4700	0.000	1	121.8527	0.221	17	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Re<6>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|Re<6>,1|C<3>,1|O<1>,2|H<1>}	121.6640	0.567	6	121.8527	0.221	17	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|B<4>,1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|B<4>,1|C<3>,1|O<1>,2|H<1>}	121.6085	0.688	2	121.4554	0.351	1195	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|B<6>,1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|B<6>,1|C<3>,1|O<1>,2|H<1>}	121.6660	0.283	8	121.4554	0.351	1195	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	121.2277	0.602	3	121.4554	0.351	1195	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	121.0240	0.000	1	121.4554	0.351	1195	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	120.7775	0.129	2	121.4554	0.351	1195	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	121.3760	0.000	1	121.4554	0.351	1195	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	121.5091	0.551	721	121.4554	0.351	1195	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	121.6580	0.045	2	121.4554	0.351	1195	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>}	120.9770	0.000	1	121.4554	0.351	1195	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	121.2474	0.570	5	121.4554	0.351	1195	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	120.9555	0.524	17	121.4554	0.351	1195	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|O<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	120.0257	1.082	14	121.4554	0.351	1195	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	121.5145	0.083	2	121.4554	0.351	1195	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	121.3884	0.523	39	121.4554	0.351	1195	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	120.8190	0.000	1	121.4554	0.351	1195	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	121.4220	0.357	58	121.4554	0.351	1195	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	121.3905	0.608	47	121.4554	0.351	1195	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|O<1>,1|P<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|O<1>,1|P<4>,2|H<1>}	120.6910	1.489	4	121.4554	0.351	1195	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|O<1>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|O<1>,1|S<2>,2|H<1>}	121.4552	0.885	49	121.4554	0.351	1195	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|O<1>,1|S<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|O<1>,1|S<4>,2|H<1>}	121.7180	0.171	2	121.4554	0.351	1195	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|O<1>,2|H<1>}	121.4070	0.000	1	121.4554	0.351	1195	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|O<1>,3|H<1>}	121.4602	0.221	9	121.4554	0.351	1195	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|O<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	121.4985	1.131	2	121.4554	0.351	1195	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,2|H<1>,2|O<1>}	121.4840	0.304	2	121.4554	0.351	1195	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Cu<4>,1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Cu<4>,1|C<3>,1|O<1>,2|H<1>}	121.7815	0.573	2	121.4554	0.351	1195	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Br<1>,1|H<1>,1|O<1>,2|C<3>}	121.4510	0.274	3	121.4554	0.351	1195	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	121.2165	0.289	2	121.4554	0.351	1195	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>}	121.2590	0.000	1	121.4554	0.351	1195	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	121.4261	0.482	162	121.4554	0.351	1195	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	120.8040	0.401	3	121.4554	0.351	1195	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|H<1>,1|O<1>,3|C<3>}	121.0100	0.740	4	121.4554	0.351	1195	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|O<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	121.8075	0.792	4	121.4554	0.351	1195	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Pd<4>,1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Pd<4>,1|C<3>,1|O<1>,2|H<1>}	121.7776	0.381	14	121.4554	0.351	1195	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Pd<4>,1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Pd<4>,1|C<3>,1|O<2>,2|H<1>}	121.7440	0.314	2	121.4554	0.351	1195	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Pd<4>,1|C<3>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Pd<4>,1|C<3>,1|O<1>,2|H<1>}	121.6185	0.387	2	121.4554	0.351	1195	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Pd<6>,1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Pd<6>,1|C<3>,1|O<1>,2|H<1>}	123.6970	0.000	1	121.4554	0.351	1195	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Pt<4>,1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Pt<4>,1|C<3>,1|O<1>,2|H<1>}	122.1685	1.242	2	121.4554	0.351	1195	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]S)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|S<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]S){1|O<1>,2|C<3>,2|H<1>}	121.4120	0.000	1	121.4120	0.000	1	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Se)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Se<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Se){1|O<1>,2|C<3>,2|H<1>}	122.4950	0.000	1	122.4950	0.000	1	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	122.3483	0.493	10	122.5451	0.290	15	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]O){1|C<3>,1|O<1>,3|H<1>}	122.9430	0.000	1	122.5451	0.290	15	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	122.9377	0.488	4	122.5451	0.290	15	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N[5])(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N[5])(C[5]N[5]O){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	124.7860	0.387	2	124.7860	0.150	2	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6])(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6])(C[5]N[5]O){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	123.5480	0.000	1	123.5480	0.000	1	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]C){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	121.3950	0.000	1	121.3950	0.000	1	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	122.5250	0.000	1	122.5250	0.000	1	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	122.5250	0.000	1	122.0385	0.621	15	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	122.4265	0.898	6	122.0385	0.621	15	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|O<1>,3|H<1>}	121.6310	0.239	2	122.0385	0.621	15	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	121.8730	0.842	4	122.0385	0.621	15	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|O<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	121.3700	0.028	2	122.0385	0.621	15	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5])(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	123.6930	0.000	1	122.9915	0.984	2	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5])(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	122.2900	0.000	1	122.9915	0.984	2	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5a])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5a])(H){1|O<1>,2|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	121.6613	0.697	7	121.6613	0.486	7	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6])(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	122.4800	0.000	1	123.0010	0.103	6	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6])(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	123.1052	0.219	5	123.0010	0.103	6	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	121.9478	0.317	5	121.8279	0.210	11	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	121.8100	1.007	2	121.8279	0.210	11	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	121.3410	0.000	1	121.8279	0.210	11	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	121.8023	0.433	3	121.8279	0.210	11	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]N)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|N<3>,2|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]O)(H){1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]N)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	125.1350	0.000	1	125.1350	0.000	1	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]S)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]S){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|S<1>,2|C<3>,2|H<1>}	121.8790	0.000	1	121.8790	0.000	1	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Se)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Se){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Se<1>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Se<1>,2|C<3>,2|H<1>}	121.5520	0.000	1	121.5520	0.000	1	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C){1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){2|C<3>,2|H<1>}	120.5810	0.000	1	120.5810	0.000	1	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|Cl<1>,1|H<1>,2|C<3>}	119.9160	0.000	1	119.9160	0.000	1	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){2|C<3>,2|H<1>}	119.6611	0.951	9	119.6611	0.904	9	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O){2|C<3>,2|H<1>}	121.6060	0.000	1	121.6060	0.000	1	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]O)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C){1|C<4>,1|N<3>,2|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]O)(C[5]O[5]O){2|C<3>,2|H<1>}	122.7620	0.000	1	122.7620	0.000	1	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]N){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|N<2>,2|H<1>}	121.4150	0.000	1	121.4150	0.000	1	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|Br<1>,1|C<3>,1|H<1>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|Br<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|Br<1>,1|C<3>,1|H<1>,1|O<1>}	122.3980	0.024	2	122.3980	0.001	2	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	121.3600	0.240	2	121.8445	0.492	4	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|O<1>,2|H<1>}	122.3290	0.692	2	121.8445	0.492	4	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|Cl<1>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>}	122.8200	0.000	1	122.8200	0.000	1	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>}	121.8330	0.000	1	121.9497	0.040	3	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|O<1>,2|H<1>}	122.0080	0.243	2	121.9497	0.040	3	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]O){1|C<3>,1|O<1>,2|H<1>}	122.2470	0.000	1	122.2470	0.000	1	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C){1|C<3>,1|O<1>,2|H<1>}	122.6592	0.457	9	122.6612	0.186	10	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|O<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C){1|H<1>,1|O<1>,2|C<3>}	122.6790	0.000	1	122.6612	0.186	10	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]N){1|C<3>,1|O<1>,2|H<1>}	121.5820	0.000	1	121.5820	0.000	1	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	121.2495	0.091	2	121.3720	0.024	4	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>}	121.4945	0.071	2	121.3720	0.024	4	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]O[5]O){1|C<3>,1|O<1>,2|H<1>}	123.0165	0.135	2	123.0165	0.018	2	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]P[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]P[5]P)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]P[5]H){1|Cr<6>,1|C<3>,1|P<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|P<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]P[5]P){1|Cr<6>,1|C<3>,3|H<1>}	120.5040	0.000	1	120.5040	0.000	1	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]P[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]P[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]P[5]O){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,1|P<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]P[5]O){1|O<1>,2|C<3>,2|H<1>}	120.6210	0.454	2	120.6210	0.206	2	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]P[5]P)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]P[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]P[5]P){1|Cr<6>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]P[5]H){1|Cr<6>,1|C<3>,1|P<4>,2|H<1>}	117.5210	0.000	1	117.5210	0.000	1	121.3074	0.837	2027	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:I[5]-3:	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]C)	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<2>,1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|I<3>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]C){1|C<3>,1|O<1>,2|H<1>}	117.9220	0.000	1	117.9220	0.000	1	118.1040	0.066	2	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:I[5]-3:	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]O)	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|I<3>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]O){1|C<3>,1|O<1>,2|H<1>}	118.2860	0.000	1	118.2860	0.000	1	118.1040	0.066	2	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	118.6870	0.000	1	118.6870	0.000	1	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2){1|F<1>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	117.2210	0.000	1	117.2210	0.000	1	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|S<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	119.0900	0.000	1	117.5651	0.900	7	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	117.9260	0.000	1	117.5651	0.900	7	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	117.0303	0.240	3	117.5651	0.900	7	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	118.4080	0.000	1	117.5651	0.900	7	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,1|O<1>,3|C<3>}	116.4410	0.000	1	117.5651	0.900	7	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	119.2800	0.000	1	119.2800	0.000	1	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Br<1>,1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	119.6440	0.355	3	119.6440	0.126	3	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	118.0590	0.000	1	118.0590	0.000	1	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<4>,2|C<3>,3|H<1>}	119.2130	0.000	1	119.2130	0.000	1	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	118.6958	0.796	4	118.6958	0.633	4	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Cl<1>,1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	119.8185	0.016	2	119.8185	0.000	2	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	119.0740	0.269	3	119.0740	0.072	3	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|F<1>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	119.0640	0.709	2	119.0640	0.502	2	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]2){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	118.2400	0.000	1	118.2400	0.000	1	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|H<1>,1|O<1>,2|C<3>}	118.7060	0.000	1	118.8194	0.530	66	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>}	120.2525	0.610	2	118.8194	0.530	66	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	118.7430	0.717	43	118.8194	0.530	66	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	118.2910	0.242	4	118.8194	0.530	66	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	118.9581	0.666	15	118.8194	0.530	66	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,4|H<1>}	119.3820	0.000	1	118.8194	0.530	66	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	118.3635	0.583	56	118.3419	0.350	58	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	117.2450	0.000	1	118.3419	0.350	58	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|S<6>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|H<1>,1|O<1>,1|S<6>,2|C<3>}	118.2260	0.000	1	118.3419	0.350	58	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	117.9285	0.019	2	117.9285	0.000	2	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,1|S<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|O<1>,2|C<3>,2|H<1>}	118.7020	0.000	1	119.6060	1.634	2	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|S<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){2|C<3>,4|H<1>}	120.5100	0.000	1	119.6060	1.634	2	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]Si)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Si<4>,1|C<3>,1|C<6>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]Si){1|C<3>,1|C<4>,1|C<6>,3|H<1>}	120.8620	0.000	1	120.8620	0.000	1	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|H<1>,1|I<1>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	120.1280	0.000	1	120.1280	0.000	1	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	118.0740	0.000	1	118.0740	0.000	1	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]S)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,1|S<6>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]S)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	119.2480	0.539	2	119.2480	0.290	2	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|C<3>,1|O<1>,2|H<1>}	120.3520	0.000	1	120.3520	0.000	1	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]Er)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Er<15>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]Er){1|C<3>,1|C<4>,3|H<1>}	118.1225	0.209	2	118.1225	0.044	2	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]Sm)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Sm<12>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]Sm){1|C<3>,1|C<4>,3|H<1>}	119.1403	0.251	3	119.1403	0.063	3	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]Y)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Y<11>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]Y){1|C<3>,1|C<4>,3|H<1>}	119.1385	1.203	2	118.9203	0.866	3	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]Y)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Y<12>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]Y){1|C<3>,1|C<4>,3|H<1>}	118.4840	0.000	1	118.9203	0.866	3	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	120.8393	0.616	3	120.8393	0.379	3	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|Br<1>,1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	120.9470	0.626	3	120.9470	0.392	3	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	120.4130	0.000	1	120.4130	0.000	1	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	120.3810	0.194	2	120.3810	0.038	2	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	120.4820	0.000	1	120.4820	0.000	1	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|Cl<1>,1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	120.6126	0.304	5	120.6126	0.093	5	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|F<1>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	120.2982	0.499	9	120.2982	0.249	9	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>}	119.4680	0.000	1	119.8782	0.222	31	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	119.9144	0.487	26	119.8782	0.222	31	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	119.9030	0.000	1	119.8782	0.222	31	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>}	119.2830	0.000	1	119.8782	0.222	31	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	119.5930	0.000	1	119.8782	0.222	31	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	120.2020	0.000	1	119.8782	0.222	31	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	119.9261	0.550	37	119.9170	0.277	44	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	119.8938	0.495	5	119.9170	0.277	44	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	119.7720	0.000	1	119.9170	0.277	44	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	119.8390	0.000	1	119.9170	0.277	44	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	120.3262	0.419	5	120.3262	0.175	5	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	121.0180	0.606	3	121.0180	0.367	3	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	121.8225	0.169	2	121.8225	0.029	2	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	121.0420	0.287	2	120.6250	0.563	3	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	119.7910	0.000	1	120.6250	0.563	3	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	121.4835	0.263	11	121.5876	0.125	13	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	122.1600	0.184	2	121.5876	0.125	13	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|Br<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Br<1>,1|C<3>,1|H<1>,2|O<1>}	121.1155	0.166	2	121.0366	0.091	5	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	121.3480	0.000	1	121.0366	0.091	5	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	120.5590	0.000	1	121.0366	0.091	5	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	121.0450	0.000	1	121.0366	0.091	5	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|C<3>,1|O<2>,1|S<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	121.8550	0.000	1	121.8550	0.000	1	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	121.1647	0.140	4	121.1647	0.020	4	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	121.2703	0.431	10	121.2703	0.186	10	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	121.7010	0.000	1	121.7010	0.000	1	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|Cl<1>,1|C<3>,1|H<1>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	121.5120	0.000	1	121.5120	0.000	1	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	121.4659	0.272	7	121.4659	0.074	7	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Cl<1>,1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	120.3310	0.000	1	120.6765	0.239	2	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Cl<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	121.0220	0.000	1	120.6765	0.239	2	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	121.3813	0.338	7	121.3813	0.114	7	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|F<1>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	121.3338	0.422	5	121.2753	0.174	7	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|F<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|F<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|F<1>,1|H<1>,1|O<1>,2|C<3>}	120.7600	0.000	1	121.2753	0.174	7	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|F<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	121.4980	0.000	1	121.2753	0.174	7	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	121.4440	0.000	1	121.4440	0.000	1	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	121.5100	0.000	1	121.1213	0.391	3	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	120.9270	0.745	2	121.1213	0.391	3	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Cl<1>,1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	121.1880	0.587	2	121.1880	0.344	2	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|F<1>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	121.4113	0.298	7	121.4113	0.089	7	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	121.2210	0.000	1	121.0735	0.203	68	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|H<1>,2|O<1>}	120.8895	0.821	2	121.0735	0.203	68	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>,2|O<1>}	120.6450	0.286	2	121.0735	0.203	68	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	120.9182	0.329	38	121.0735	0.203	68	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	122.3110	0.000	1	121.0735	0.203	68	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	121.0261	0.439	9	121.0735	0.203	68	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	121.8730	0.000	1	121.0735	0.203	68	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	121.8570	0.000	1	121.0735	0.203	68	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	121.5640	0.126	2	121.0735	0.203	68	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	122.1050	0.000	1	121.0735	0.203	68	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	121.5860	0.057	2	121.0735	0.203	68	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	121.3930	0.000	1	121.0735	0.203	68	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	121.4243	0.302	3	121.0735	0.203	68	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	121.0270	0.000	1	121.0735	0.203	68	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	121.0110	0.000	1	121.0735	0.203	68	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	121.2165	0.545	2	121.0735	0.203	68	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Br<1>,1|C<3>,1|H<1>,2|O<1>}	120.8050	0.000	1	121.0566	0.326	36	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|C<3>,1|H<1>,2|O<1>}	120.6230	0.000	1	121.0566	0.326	36	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|F<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|F<1>,1|H<1>,2|O<1>}	120.8450	0.000	1	121.0566	0.326	36	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|I<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|H<1>,1|I<1>,2|O<1>}	120.3120	0.000	1	121.0566	0.326	36	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	121.8820	0.000	1	121.0566	0.326	36	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	121.3891	0.388	10	121.0566	0.326	36	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	120.9207	0.965	3	121.0566	0.326	36	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|F<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|F<1>,1|H<1>,1|O<1>,2|C<3>}	120.9030	0.000	1	121.0566	0.326	36	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	120.6143	0.378	9	121.0566	0.326	36	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	120.1380	0.000	1	121.0566	0.326	36	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	121.4335	0.281	6	121.0566	0.326	36	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	121.7480	0.000	1	121.0566	0.326	36	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Ru<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]Ru){1|O<1>,2|C<3>,2|H<1>}	120.8660	0.092	2	120.8660	0.008	2	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	121.3020	0.000	1	121.2430	0.007	2	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|O<1>,2|C<3>,2|H<1>}	121.1840	0.000	1	121.2430	0.007	2	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]I)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|I<1>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]I)(N[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	120.9540	0.000	1	120.9540	0.000	1	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|H<1>,1|I<1>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	121.4830	0.177	3	121.4830	0.031	3	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|I<1>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	121.5370	0.000	1	121.2850	0.127	2	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|I<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	121.0330	0.000	1	121.2850	0.127	2	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	122.2047	0.375	3	122.2047	0.141	3	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	121.2150	0.017	2	121.2150	0.000	2	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	119.7010	0.000	1	119.4330	0.144	2	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]C){1|Co<6>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Co<6>,2|C<3>,2|H<1>}	119.1650	0.000	1	119.4330	0.144	2	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]C){1|Re<6>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Re<6>,2|C<3>,2|H<1>}	119.4253	0.935	6	119.4441	0.731	7	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]C){1|Zn<5>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Zn<5>,2|C<3>,2|H<1>}	119.5570	0.000	1	119.4441	0.731	7	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|B<4>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]N[5]H){1|B<4>,1|C<3>,3|H<1>}	119.9010	0.000	1	119.9010	0.000	1	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]Al)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){2|Al<4>,1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]Al){1|Al<4>,1|C<3>,3|H<1>}	120.1230	0.000	1	120.1230	0.000	1	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]B)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Fe<6>,1|B<4>,1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]B){1|Fe<6>,1|C<3>,3|H<1>}	119.2830	0.348	3	119.5162	1.197	6	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]B)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Rh<9>,1|B<4>,1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]B){1|Rh<9>,1|C<3>,3|H<1>}	119.7493	1.645	3	119.5162	1.197	6	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Co<6>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Co<6>,1|C<3>,3|H<1>}	119.4275	0.580	4	119.6720	0.291	17	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Cu<5>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Cu<5>,1|C<3>,3|H<1>}	119.5655	0.221	2	119.6720	0.291	17	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Ni<6>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Ni<6>,1|C<3>,3|H<1>}	119.7550	0.454	2	119.6720	0.291	17	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Pd<4>,1|C<3>,3|H<1>}	119.4850	0.461	5	119.6720	0.291	17	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Re<6>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Re<6>,1|C<3>,3|H<1>}	120.6080	0.000	1	119.6720	0.291	17	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Re<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Re<6>,1|C<3>,3|H<1>}	119.6315	0.005	2	119.6720	0.291	17	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Ru<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Ru<6>,1|C<3>,3|H<1>}	120.7770	0.000	1	119.6720	0.291	17	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]Fe)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Fe<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]Fe){2|C<3>,3|H<1>}	119.8565	0.294	4	119.8565	0.087	4	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H){1|C<3>,4|H<1>}	119.6445	0.941	4	119.6182	0.692	45	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Cu<6>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Cu<6>,1|C<3>,3|H<1>}	119.7345	1.228	4	119.6182	0.692	45	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Fe<5>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Fe<5>,1|C<3>,3|H<1>}	117.5440	0.000	1	119.6182	0.692	45	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Os<6>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Os<6>,1|C<3>,3|H<1>}	119.2735	0.551	6	119.6182	0.692	45	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Re<6>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Re<6>,1|C<3>,3|H<1>}	119.5962	0.777	4	119.6182	0.692	45	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Ru<6>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Br<1>,1|Ru<6>,1|C<3>,2|H<1>}	119.0320	0.000	1	119.6182	0.692	45	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Ru<6>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Ru<6>,1|C<3>,3|H<1>}	119.7881	0.758	25	119.6182	0.692	45	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]O){1|C<3>,1|C<4>,3|H<1>}	118.1752	0.153	5	118.1752	0.023	5	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]Os)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Os<6>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]Os){1|C<3>,4|H<1>}	119.7020	0.092	2	119.7020	0.008	2	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]Pd)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]Pd){1|C<3>,1|C<4>,3|H<1>}	119.9365	1.066	4	119.9365	1.136	4	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]Re)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){2|Re<6>,1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]Re){1|Re<6>,1|C<3>,3|H<1>}	119.4130	1.202	4	119.4130	1.444	4	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	118.6550	2.027	2	118.6550	4.107	2	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]Pd)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]Pd){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|C<3>,1|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	119.8806	0.169	5	119.8806	0.029	5	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]Rh)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]Rh){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Rh<6>,1|C<3>,1|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Rh<6>,1|C<3>,1|C<4>,2|H<1>}	119.7300	0.000	1	120.8280	1.097	3	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]Rh)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]Rh){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Rh<6>,1|C<3>,1|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Rh<6>,2|C<3>,2|H<1>}	121.3770	0.621	2	120.8280	1.097	3	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]O[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]O[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]O[5]N){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]O[5]C){1|C<3>,1|N<2>,2|H<1>}	121.2185	0.132	2	121.2185	0.017	2	119.9537	1.511	581	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-3:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]B)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]C)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]B){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|S<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]C){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	117.0330	0.000	1	117.0330	0.000	1	120.0561	1.605	14	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-3:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]Cu)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Cu<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|S<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]Cu){2|C<3>,3|H<1>}	118.4440	0.000	1	118.4440	0.000	1	120.0561	1.605	14	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-3:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]Rh)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Rh<4>,1|C<3>,1|P<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|S<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]Rh){1|C<3>,1|P<4>,3|H<1>}	118.9400	0.000	1	118.9400	0.000	1	120.0561	1.605	14	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-3:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]O)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	119.6610	0.000	1	119.6610	0.000	1	120.0561	1.605	14	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-3:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]O)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,1|S<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	120.2945	0.280	6	120.2904	0.065	7	120.0561	1.605	14	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-3:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]O)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,1|S<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]O){1|H<1>,1|O<2>,3|C<3>}	120.2660	0.000	1	120.2904	0.065	7	120.0561	1.605	14	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-3:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(S[5]N[5]O)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(S[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	121.5583	0.296	3	121.5583	0.088	3	120.0561	1.605	14	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:Se[5]-3:	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C[5])(Se[5]N[5]O)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Se<3>,1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C[5])(Se[5]N[5]O){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	120.1600	0.000	1	120.1600	0.000	1	120.1600	0.000	1	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	117.1695	0.284	2	117.1695	0.080	2	119.9187	2.181	21	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	118.8080	0.000	1	118.8080	0.000	1	119.9187	2.181	21	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	117.9220	0.676	2	117.9220	0.457	2	119.9187	2.181	21	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	119.3150	0.280	3	119.3150	0.078	3	119.9187	2.181	21	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	121.3210	0.000	1	121.3210	0.000	1	119.9187	2.181	21	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	121.6240	0.000	1	121.2939	0.213	7	119.9187	2.181	21	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	121.2110	0.000	1	121.2939	0.213	7	119.9187	2.181	21	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,2|O<1>,3|C<3>}	120.7930	0.000	1	121.2939	0.213	7	119.9187	2.181	21	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	120.9600	0.000	1	121.2939	0.213	7	119.9187	2.181	21	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|N<2>,3|H<1>}	122.1580	0.000	1	121.2939	0.213	7	119.9187	2.181	21	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	121.1555	0.121	2	121.2939	0.213	7	119.9187	2.181	21	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Fe<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6]N[5])(C[6a]C[6a]H){1|Fe<6>,1|N<3>,2|C<3>,3|H<1>}	120.2403	0.445	4	120.1958	0.159	5	119.9187	2.181	21	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Os<10>,1|C<3>,1|C<5>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6]N[5])(C[6a]C[6a]H){1|Os<10>,1|O<2>,3|C<3>,3|H<1>}	120.0180	0.000	1	120.1958	0.159	5	119.9187	2.181	21	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]Br)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]Br){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|P<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,2|H<1>,4|C<3>}	120.4360	0.000	1	120.4360	0.000	1	120.4360	0.000	1	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Se[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(Se[5]C[6a]N[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|Se<3>,1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(Se[5]C[6a]N[5])(C[6a]C[6a]C){1|O<1>,2|H<1>,4|C<3>}	117.3300	0.000	1	117.3300	0.000	1	118.8425	4.575	2	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Se[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(Se[5]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Se<3>,1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(Se[5]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	120.3550	0.000	1	120.3550	0.000	1	118.8425	4.575	2	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]O)(H)	C[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]O)(H){1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	125.3630	0.000	1	125.3630	0.000	1	125.3630	0.000	1	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5])(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5])(C[5]C[5]H){1|H<1>,6|C<3>}	121.4985	0.104	2	121.4985	0.011	2	121.0298	1.542	11	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5])(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5])(C[5]C[5]C){2|H<1>,5|C<3>}	120.6527	0.448	3	120.6527	0.201	3	121.0298	1.542	11	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]S)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|O<1>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]S){1|O<1>,2|H<1>,4|C<3>}	123.6330	0.000	1	123.6330	0.000	1	121.0298	1.542	11	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|N<3>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){2|H<1>,5|C<3>}	119.6620	0.248	3	119.6620	0.062	3	121.0298	1.542	11	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|O<1>,3|C<3>,3|H<1>}	121.5690	0.000	1	121.5690	0.000	1	121.0298	1.542	11	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|O<1>,1|O<2>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]O[5]O){1|O<1>,2|H<1>,3|C<3>}	122.1850	0.000	1	122.1850	0.000	1	121.0298	1.542	11	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]N[5]H)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Zn<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]N[5]H){1|Zn<4>,3|C<3>,3|H<1>}	119.8100	0.000	1	119.8100	0.000	1	119.8100	0.000	1	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:I-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]I)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(I)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]I)(C[5]C[5]O){1|C<3>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(I){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|H<1>,1|I<1>,2|O<1>}	119.8880	0.000	1	119.8880	0.000	1	119.8880	0.000	1	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]O){1|C<2>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(N){1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|N<1>,1|O<1>,3|C<3>}	121.9340	0.000	1	121.9340	0.000	1	121.9340	0.000	1	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]O)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]H)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]O)(C[5]O[5]O){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]H)(O){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C){1|C<4>,1|N<3>,2|O<1>}	121.8510	0.000	1	121.8510	0.000	1	121.8510	0.000	1	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[6a]C[5a,6a]H)(C[5]C[5,5a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[6a]C[5a,6a]H)(C[5]C[5,5a]N){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(H){2|N<2>,5|C<3>}	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){1|H<1>,1|N<2>,4|C<3>}	121.8300	0.000	1	121.8300	0.000	1	121.8300	0.000	1	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(C[5]N[5]O)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]C)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(C[5]N[5]O){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]C[5])(H){1|O<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]C)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	122.3720	0.000	1	122.3720	0.000	1	122.3720	0.000	1	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(C[5]C[5]2)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]Cl)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(C[5]C[5]2){1|Cl<1>,1|C<4>,1|O<1>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]C[5])(H){1|N<3>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]Cl)(N[5]C[5]C){1|H<1>,1|O<1>,3|C<3>}	118.4290	0.000	1	118.4290	0.000	1	119.7250	3.359	2	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(C[5]C[5]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(H){1|C<4>,1|N<3>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(N[5]C[5]C){1|H<1>,1|O<1>,3|C<3>}	121.0210	0.000	1	121.0210	0.000	1	119.7250	3.359	2	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6,6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6,6a]H)(C[5]N[5]O)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6,6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6,6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5,6a]C[5,6a]C[5])(H){1|N<3>,1|O<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6,6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	121.7980	0.776	12	121.7980	0.603	12	121.7980	0.603	12	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,5a]Si)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,5a]Si){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|Si<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){2|Si<4>,1|H<1>,4|C<3>}	119.3950	0.000	1	119.3950	0.000	1	119.3950	0.000	1	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a,6a]H)(C[5]N[5,6]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a,6a]H)(C[5]N[5,6]O){1|B<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){1|B<4>,1|C<2>,1|H<1>,1|O<1>,3|C<3>}	122.5300	0.000	1	122.5300	0.000	1	121.8747	0.356	3	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a,6a]H)(C[5]N[5,6]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a,6a]H)(C[5]N[5,6]O){1|B<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){1|B<4>,1|H<1>,1|O<1>,3|C<3>}	121.5470	0.262	2	121.5470	0.068	2	121.8747	0.356	3	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,6a]O){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|H<1>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){1|O<1>,2|H<1>,4|C<3>}	122.1133	0.367	3	122.1133	0.135	3	122.1133	0.135	3	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5,5]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5,5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5,5]O){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5,5]O){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	121.2960	0.095	2	121.2960	0.009	2	121.4070	0.285	28	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5,6]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5,6]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5,6]O){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5,6]O){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	121.1335	0.166	2	121.1335	0.028	2	121.4070	0.285	28	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]N[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]N[5]){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|H<1>,1|N<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]C){1|H<1>,3|C<3>}	121.6220	0.417	2	121.6220	0.174	2	121.4070	0.285	28	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]O){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]O){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	121.2466	0.296	5	121.2890	0.068	7	121.4070	0.285	28	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]O){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]O){1|O<1>,2|C<3>,3|H<1>}	121.3950	0.157	2	121.2890	0.068	7	121.4070	0.285	28	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]N[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]C){1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|H<1>,1|N<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]N[5]){1|H<1>,1|N<2>,4|C<3>}	121.0705	0.370	2	121.0705	0.137	2	121.4070	0.285	28	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]C){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]C[5])(H){2|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]C){1|H<1>,1|N<2>,2|C<3>}	119.5490	0.000	1	119.5490	0.000	1	121.4070	0.285	28	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	121.6315	0.396	4	121.6165	0.171	8	121.4070	0.285	28	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O){1|H<1>,1|O<1>,3|C<3>}	121.1250	0.000	1	121.6165	0.171	8	121.4070	0.285	28	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|N<3>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O){1|H<1>,1|O<1>,3|C<3>}	122.0970	0.000	1	121.6165	0.171	8	121.4070	0.285	28	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	121.5920	0.503	2	121.6165	0.171	8	121.4070	0.285	28	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]C[5])(H){1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	122.0185	0.217	2	122.0185	0.047	2	121.4070	0.285	28	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]O){1|H<1>,1|O<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]O){1|H<1>,1|O<1>,2|C<3>}	121.8055	0.486	2	121.8055	0.236	2	121.4070	0.285	28	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]C)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]C){1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|H<1>,6|C<3>}	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]N){2|H<1>,5|C<3>}	120.9910	0.000	1	120.9910	0.000	1	122.1793	1.069	3	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O){1|C<4>,1|O<1>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	122.7735	0.138	2	122.7735	0.019	2	122.1793	1.069	3	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:I[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:B[5]-3:	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(I[5]O[5]Cl)	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]F)(B[5]O[5]O)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(I[5]O[5]Cl){1|C<3>,1|F<1>,1|H<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|B<3>,1|C<3>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]F)(B[5]O[5]O){1|Cl<1>,1|C<3>,2|H<1>}	126.3020	0.332	2	126.3020	0.110	2	125.6752	0.580	5	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:I[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:B[5]-3:	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(I[5]O[5]O)	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]F)(B[5]O[5]O)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(I[5]O[5]O){1|C<3>,1|F<1>,1|H<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]F)(B[5]O[5]O){1|C<3>,1|O<2>,2|H<1>}	125.6345	0.220	2	125.6345	0.048	2	125.6752	0.580	5	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:I[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:B[5]-3:	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(I[5]O[5]O)	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(B[5]O[5]O)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(I[5]O[5]O){1|C<3>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(B[5]O[5]O){1|C<3>,1|O<2>,2|H<1>}	124.5030	0.000	1	124.5030	0.000	1	125.6752	0.580	5	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:I[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]C)	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]C){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<2>,1|C<3>,2|H<1>}	123.1630	0.000	1	123.1630	0.000	1	122.9735	0.072	2	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:I[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]O)	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]O){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|O<2>,2|H<1>}	122.7840	0.000	1	122.7840	0.000	1	122.9735	0.072	2	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(N[5]C[5]C){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]N[5])(H){1|C<4>,1|N<3>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	122.6600	0.113	2	122.6600	0.013	2	122.6600	0.013	2	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]N[5])(H){1|C<4>,1|O<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	122.7475	0.123	4	122.7475	0.015	4	122.6402	1.845	22	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])2(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])2(H){2|C<4>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	123.5572	0.349	10	123.3616	0.246	13	122.6402	1.845	22	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])2(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])2(H){2|C<4>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	122.8720	0.209	2	123.3616	0.246	13	122.6402	1.845	22	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])2(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C){1|Ir<6>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])2(H){2|C<4>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C){1|Ir<6>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	122.3850	0.000	1	123.3616	0.246	13	122.6402	1.845	22	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])2(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])2(H){2|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,3|H<1>}	123.4140	0.000	1	123.4140	0.000	1	122.6402	1.845	22	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]Ge[5]C)	C[6a](C[5,6a]C[5,6a]N[5])2(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]Ge[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]Ge[5]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])2(H){2|Ge<2>,1|C<3>,2|C<4>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]Ge[5]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	119.9947	0.337	4	119.9947	0.114	4	122.6402	1.845	22	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]N[5])(H)	C[5,6a](C[6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]N[5])(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(N[5]C[5]H){1|C<4>,2|H<1>,4|C<3>}	122.4620	0.000	1	122.4620	0.000	1	122.4620	0.000	1	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[6a]Ge[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a,6a]C[6a,6a]2)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[6a]Ge[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[6a]Ge[5]){1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a,6a]C[6a,6a]2)(H){1|Ge<2>,1|N<3>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[6a]Ge[5]){1|H<1>,5|C<3>}	119.9200	0.613	6	119.9200	0.376	6	119.9200	0.376	6	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|C<3>,1|O<1>,2|H<1>}	120.6290	0.000	1	120.6290	0.000	1	120.6290	0.000	1	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]C){1|H<1>,2|C<3>,2|O<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]O){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	119.1230	0.000	1	119.1230	0.000	1	120.3194	0.567	5	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]H){1|Cl<1>,1|C<3>,1|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]O){1|Cl<1>,1|C<3>,1|O<1>,2|H<1>}	121.0300	0.000	1	121.0300	0.000	1	120.3194	0.567	5	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|Cl<1>,1|C<3>,1|H<1>,1|O<1>}	120.6690	0.000	1	120.4813	0.127	3	120.3194	0.567	5	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Cl<1>,1|C<3>,1|O<1>,2|H<1>}	120.3875	0.448	2	120.4813	0.127	3	120.3194	0.567	5	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(N[5]C[5]C){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(N[5]C[5]C){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	121.2250	0.535	4	121.2250	0.286	4	121.2250	0.286	4	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]N[5]B)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]N[5])(C[6a]C[6a]F)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]N[5]B){1|Mg<4>,2|C<3>,2|F<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(F){1|B<4>,1|F<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]N[5])(C[6a]C[6a]F){1|Mg<4>,1|B<4>,2|F<1>,3|C<3>}	120.5131	0.324	9	120.5131	0.105	9	120.5131	0.105	9	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(F)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(F){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|F<1>,1|O<1>,2|H<1>}	119.0010	0.401	7	119.0010	0.161	7	119.2412	0.312	10	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]N[5]B)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]F)(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]N[5]B){1|Cu<4>,1|C<3>,1|C<4>,2|F<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(F){1|B<4>,1|F<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]F)(C[5]N[5]C){1|Cu<4>,1|B<4>,1|C<3>,2|F<1>}	119.8017	0.496	3	119.8017	0.246	3	119.2412	0.312	10	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,6|H<1>}	121.6970	0.000	1	121.6970	0.000	1	121.4353	0.157	3	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]C){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	121.6300	0.000	1	121.6300	0.000	1	121.4353	0.157	3	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	120.9790	0.000	1	120.9790	0.000	1	121.4353	0.157	3	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	120.6670	0.000	1	121.0650	0.284	3	121.2284	0.211	5	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	121.6700	0.000	1	121.0650	0.284	3	121.2284	0.211	5	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	120.8580	0.000	1	121.0650	0.284	3	121.2284	0.211	5	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	121.2760	0.000	1	121.2760	0.000	1	121.2284	0.211	5	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	121.6710	0.000	1	121.6710	0.000	1	121.2284	0.211	5	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[3,5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[3,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[3,5]S){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[3,5]O)(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	121.2130	0.000	1	121.2130	0.000	1	121.3940	1.606	24	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]C){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	120.2290	0.000	1	120.2290	0.000	1	121.3940	1.606	24	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.0350	0.000	1	120.3639	0.085	7	121.3940	1.606	24	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,2|O<2>}	120.1360	0.000	1	120.3639	0.085	7	121.3940	1.606	24	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	120.6985	0.258	2	120.3639	0.085	7	121.3940	1.606	24	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	120.2510	0.000	1	120.3639	0.085	7	121.3940	1.606	24	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H){3|C<3>,3|H<1>}	120.3640	0.216	2	120.3639	0.085	7	121.3940	1.606	24	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]S){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|S<4>,3|C<3>}	121.2570	0.000	1	121.2570	0.000	1	121.3940	1.606	24	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.6250	0.000	1	120.6180	0.000	2	121.3940	1.606	24	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.6110	0.000	1	120.6180	0.000	2	121.3940	1.606	24	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7305	0.217	2	120.3567	0.443	3	121.3940	1.606	24	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	119.6090	0.000	1	120.3567	0.443	3	121.3940	1.606	24	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<1>,2|C<4>,2|H<1>}	122.5490	0.000	1	122.5490	0.000	1	121.3940	1.606	24	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	123.2010	0.000	1	123.2010	0.000	1	121.3940	1.606	24	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	122.8760	0.000	1	122.8760	0.000	1	121.3940	1.606	24	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	122.8795	0.670	6	122.8795	0.449	6	121.3940	1.606	24	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]2)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]2){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|N<3>,2|C<3>,3|H<1>}	123.1850	0.000	1	123.1850	0.000	1	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[5a]C[6a])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[5a]C[6a])(H){1|H<1>,1|S<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2){1|O<1>,2|H<1>,4|C<3>}	123.2780	0.000	1	123.2780	0.000	1	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	122.3500	0.000	1	122.3500	0.000	1	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	121.2610	0.167	2	121.2610	0.028	2	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	122.2480	0.000	1	121.4735	1.200	2	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.6990	0.000	1	121.4735	1.200	2	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	121.5195	0.503	2	121.5195	0.253	2	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	121.2555	0.234	2	120.7490	0.797	3	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|H<1>,3|C<3>}	119.7360	0.000	1	120.7490	0.797	3	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	122.3240	0.000	1	122.3240	0.000	1	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|O<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]N){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	122.7565	0.394	2	122.7565	0.155	2	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	120.7840	0.000	1	121.3690	0.684	2	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	121.9540	0.000	1	121.3690	0.684	2	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|S<2>}	121.7230	0.000	1	122.7084	0.508	7	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	122.2760	0.000	1	122.7084	0.508	7	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	123.3617	0.304	3	122.7084	0.508	7	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	122.8100	0.000	1	122.7084	0.508	7	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	122.0650	0.000	1	122.7084	0.508	7	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	122.2170	0.000	1	122.3300	0.357	68	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<1>}	122.4067	0.858	3	122.3300	0.357	68	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	122.4539	0.546	43	122.3300	0.357	68	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	122.4430	0.125	4	122.3300	0.357	68	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	122.0521	0.678	15	122.3300	0.357	68	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|I<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|H<1>,1|I<1>,1|O<1>,2|C<3>}	121.2490	0.000	1	122.3300	0.357	68	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){2|C<3>,4|H<1>}	121.6830	0.000	1	122.3300	0.357	68	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	121.2290	0.342	3	121.8557	0.181	35	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	121.9493	0.332	28	121.8557	0.181	35	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	121.5300	0.000	1	121.8557	0.181	35	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|O<1>,2|C<3>,2|H<1>}	122.4510	0.000	1	121.8557	0.181	35	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	120.8290	0.000	1	121.8557	0.181	35	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	121.8720	0.000	1	121.8557	0.181	35	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.7630	0.000	1	120.8796	0.257	108	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,3|H<1>}	120.9230	0.000	1	120.8796	0.257	108	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	120.6680	0.000	1	120.8796	0.257	108	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<2>,2|C<3>,3|H<1>}	120.5940	0.173	3	120.8796	0.257	108	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	120.8853	0.395	11	120.8796	0.257	108	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<1>}	121.0113	0.366	7	120.8796	0.257	108	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	121.2571	0.262	38	120.8796	0.257	108	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|I<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|H<1>,1|I<1>,1|O<1>}	120.9343	0.234	3	120.8796	0.257	108	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	120.6483	0.336	3	120.8796	0.257	108	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	120.7719	0.258	7	120.8796	0.257	108	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	121.0820	0.000	1	120.8796	0.257	108	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	120.6117	0.614	10	120.8796	0.257	108	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|H<1>,3|C<3>}	119.5730	0.000	1	120.8796	0.257	108	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,2|C<4>,2|H<1>}	120.6720	0.000	1	120.8796	0.257	108	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|N<3>,2|H<1>,3|C<3>}	120.3435	0.385	2	120.8796	0.257	108	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|H<1>,3|C<3>}	120.4845	0.141	2	120.8796	0.257	108	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	120.6632	0.440	9	120.8796	0.257	108	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|H<1>,3|C<3>}	121.5430	0.000	1	120.8796	0.257	108	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|H<1>,4|C<3>}	120.1450	0.366	2	120.8796	0.257	108	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|H<1>,4|C<3>}	120.4865	0.565	2	120.8796	0.257	108	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|H<1>,3|C<3>}	119.6240	0.301	2	120.8796	0.257	108	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	123.3342	0.403	4	123.3342	0.162	4	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	122.2410	0.000	1	122.2410	0.000	1	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|O<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	122.9200	0.000	1	122.9200	0.000	1	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]Er)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]Er){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Er<15>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Er<15>,1|C<3>,1|C<4>,2|H<1>}	120.8115	1.114	2	120.8115	1.240	2	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Br<1>,1|C<3>,1|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|Br<1>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|C<3>,1|O<1>,2|H<1>}	121.4905	0.045	2	121.5013	0.001	3	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Br<1>,1|C<3>,1|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<1>,3|H<1>}	121.5230	0.000	1	121.5013	0.001	3	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,3|H<1>}	121.4337	0.536	3	121.4337	0.288	3	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){2|Cl<1>,1|C<3>,2|O<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]O){1|C<3>,1|O<1>,3|H<1>}	122.8360	0.000	1	122.8360	0.000	1	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	121.4280	0.000	1	121.4280	0.000	1	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|C<3>,1|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<1>,3|H<1>}	121.5880	0.000	1	120.9930	0.708	2	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){3|C<3>,3|H<1>}	120.3980	0.000	1	120.9930	0.708	2	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|F<1>,1|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<1>,3|H<1>}	121.6410	0.000	1	121.7043	0.050	3	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|F<1>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(H){1|F<1>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|F<1>,2|C<3>,2|H<1>}	121.9530	0.000	1	121.7043	0.050	3	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|F<1>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,3|H<1>}	121.5190	0.000	1	121.7043	0.050	3	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Br<1>,1|C<3>,1|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5]C[5]O){1|C<3>,1|O<1>,3|H<1>}	122.0240	0.000	1	122.0240	0.000	1	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]C){1|C<3>,1|O<1>,3|H<1>}	123.2330	0.000	1	123.2330	0.000	1	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|C<3>,1|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]O){1|C<3>,1|O<1>,3|H<1>}	122.0630	0.830	2	122.0630	0.689	2	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2){1|F<1>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	122.8580	0.000	1	122.8580	0.000	1	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Br<1>,1|C<3>,1|O<1>,2|H<1>}	122.1345	0.500	2	122.7322	0.222	64	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	122.0810	0.000	1	122.7322	0.222	64	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Cl<1>,1|C<3>,1|O<1>,2|H<1>}	121.5130	0.116	2	122.7322	0.222	64	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|F<1>,1|O<1>,2|H<1>}	122.6730	0.141	2	122.7322	0.222	64	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	122.4130	0.000	1	122.7322	0.222	64	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<6>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,1|S<6>,2|H<1>}	122.3015	0.671	2	122.7322	0.222	64	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,3|H<1>}	122.8357	0.391	54	122.7322	0.222	64	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|Br<1>,1|C<3>,1|O<1>,2|H<1>}	121.5733	0.251	3	121.9340	0.277	70	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	121.7635	0.210	2	121.9340	0.277	70	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|Cl<1>,1|C<3>,1|O<1>,2|H<1>}	121.8644	0.226	5	121.9340	0.277	70	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|F<1>,1|O<1>,2|H<1>}	122.1034	0.364	9	121.9340	0.277	70	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	122.2128	0.317	5	121.9340	0.277	70	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	121.2337	0.540	3	121.9340	0.277	70	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|O<1>,3|H<1>}	121.9248	0.554	37	121.9340	0.277	70	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|O<1>,3|H<1>}	122.3874	0.520	5	121.9340	0.277	70	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<4>,2|C<3>,3|H<1>}	120.9620	0.000	1	121.9340	0.277	70	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,2|C<4>,3|H<1>}	119.5570	0.000	1	120.8507	0.520	44	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|C<3>,1|O<1>,2|H<1>}	121.3460	0.000	1	120.8507	0.520	44	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Cl<1>,1|C<3>,1|O<1>,2|H<1>}	121.8040	0.000	1	120.8507	0.520	44	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|F<1>,1|O<1>,2|H<1>}	121.4696	0.373	5	120.8507	0.520	44	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|I<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|I<1>,1|O<1>,2|H<1>}	121.0810	0.000	1	120.8507	0.520	44	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	121.7120	0.109	2	120.8507	0.520	44	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	121.7035	0.100	2	120.8507	0.520	44	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,3|H<1>}	120.0851	0.348	10	120.8507	0.520	44	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,2|C<3>,2|H<1>}	121.6300	0.000	1	120.8507	0.520	44	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Cl<1>,2|C<3>,2|H<1>}	121.2400	0.000	1	120.8507	0.520	44	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|F<1>,2|C<3>,2|H<1>}	121.0970	0.000	1	120.8507	0.520	44	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|I<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|I<1>,2|C<3>,2|H<1>}	121.0110	0.000	1	120.8507	0.520	44	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|H<1>,3|C<3>}	120.9980	0.000	1	120.8507	0.520	44	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,3|H<1>}	121.2889	0.274	9	120.8507	0.520	44	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){3|C<3>,3|H<1>}	120.2317	0.167	6	120.8507	0.520	44	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|H<1>,3|C<3>}	119.6450	0.000	1	120.8507	0.520	44	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]I)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|H<1>,1|I<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]I)(C[5]C[5]O){1|C<3>,1|O<1>,3|H<1>}	121.7490	0.000	1	121.7490	0.000	1	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]I)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|H<1>,1|I<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]I)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<1>,3|H<1>}	121.7420	0.000	1	121.7420	0.000	1	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,3|H<1>}	124.2780	0.000	1	124.2780	0.000	1	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<4>,2|C<3>,3|H<1>}	121.7440	0.000	1	121.7440	0.000	1	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	121.1980	0.000	1	121.8220	0.779	2	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,3|H<1>}	122.4460	0.000	1	121.8220	0.779	2	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|H<1>,1|O<1>,1|S<6>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]S)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,3|H<1>}	123.3510	0.000	1	123.3510	0.000	1	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	123.4210	0.280	2	123.4210	0.078	2	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]Ru){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ru<6>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Ru<6>,2|C<3>,2|H<1>}	120.8980	0.154	2	120.8980	0.024	2	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|S<4>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	122.0470	0.000	1	122.7933	1.150	3	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,1|S<4>,2|H<1>}	122.3110	0.000	1	122.7933	1.150	3	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|S<4>,4|H<1>}	124.0220	0.000	1	122.7933	1.150	3	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|C<3>,1|O<2>,1|S<4>,2|H<1>}	120.1740	0.000	1	120.5057	0.615	3	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	119.9420	0.000	1	120.5057	0.615	3	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|S<4>,2|C<3>,2|H<1>}	121.4010	0.000	1	120.5057	0.615	3	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]Si)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]Si){1|C<3>,1|C<4>,1|C<6>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Si<4>,1|C<3>,1|C<6>,3|H<1>}	120.4150	0.000	1	120.4150	0.000	1	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]Sm)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]Sm){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Sm<12>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Sm<12>,1|C<3>,1|C<4>,2|H<1>}	120.6560	0.363	2	120.6560	0.132	2	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]Y)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]Y){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Y<11>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Y<11>,1|C<3>,1|C<4>,2|H<1>}	121.2145	1.025	2	121.2133	0.525	3	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]Y)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]Y){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Y<12>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Y<12>,1|C<3>,1|C<4>,2|H<1>}	121.2110	0.000	1	121.2133	0.525	3	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]Al)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]Al){1|Al<4>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Al<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){2|Al<4>,1|C<3>,2|H<1>}	120.9400	0.000	1	120.9400	0.000	1	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]B)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]B){1|Fe<6>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Fe<6>,1|B<4>,1|C<3>,2|H<1>}	122.0350	0.414	3	122.1572	1.917	6	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]B)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]B){1|Rh<9>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Rh<9>,1|B<4>,1|C<3>,2|H<1>}	122.2793	2.139	3	122.1572	1.917	6	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,2|C<4>,2|H<1>}	122.2580	0.000	1	122.4580	0.080	2	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Co<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]C){1|Co<6>,1|C<3>,1|C<4>,2|H<1>}	122.6580	0.000	1	122.4580	0.080	2	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Co<6>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Co<6>,1|C<3>,1|C<4>,2|H<1>}	122.5493	0.161	4	122.4292	0.559	17	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Cu<5>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Cu<5>,1|C<3>,1|C<4>,2|H<1>}	122.8090	0.120	2	122.4292	0.559	17	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Ni<6>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Ni<6>,1|C<3>,1|C<4>,2|H<1>}	122.9495	0.308	2	122.4292	0.559	17	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Pd<4>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	122.6808	0.460	5	122.4292	0.559	17	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Re<6>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Re<6>,1|C<3>,1|C<4>,2|H<1>}	120.0600	0.000	1	122.4292	0.559	17	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Re<6>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Re<6>,2|C<3>,2|H<1>}	122.3245	0.397	2	122.4292	0.559	17	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Ru<6>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Ru<6>,2|C<3>,2|H<1>}	121.4690	0.000	1	122.4292	0.559	17	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]Pd)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]Pd){1|C<3>,2|C<4>,2|H<1>}	121.4814	0.558	5	121.4814	0.312	5	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]Rh)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Rh<6>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]Rh){1|C<3>,2|C<4>,2|H<1>}	121.9970	0.000	1	120.4780	2.402	3	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]Rh)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Rh<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]Rh){1|C<4>,2|C<3>,2|H<1>}	119.7185	1.159	2	120.4780	2.402	3	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]Fe)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]Fe){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Fe<6>,2|C<3>,2|H<1>}	121.1890	0.258	4	121.1890	0.067	4	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Br<1>,1|Ru<6>,1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Ru<6>,1|C<3>,3|H<1>}	123.1740	0.000	1	123.1740	0.000	1	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Re<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]C){1|Re<6>,1|C<3>,3|H<1>}	123.0942	0.375	6	123.0074	0.170	7	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Zn<5>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]C){1|Zn<5>,1|C<3>,3|H<1>}	122.4870	0.000	1	123.0074	0.170	7	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<3>,4|H<1>}	122.4873	1.356	4	122.3257	0.969	46	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Cu<6>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Cu<6>,1|C<3>,3|H<1>}	121.3340	1.737	4	122.3257	0.969	46	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Fe<5>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Fe<5>,1|C<3>,3|H<1>}	125.0530	0.000	1	122.3257	0.969	46	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Os<6>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Os<6>,1|C<3>,3|H<1>}	122.6338	0.357	6	122.3257	0.969	46	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Re<6>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Re<6>,1|C<3>,3|H<1>}	122.4570	0.743	4	122.3257	0.969	46	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Ru<6>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Ru<6>,1|C<3>,3|H<1>}	122.2597	0.747	27	122.3257	0.969	46	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]O){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	123.1738	0.256	5	123.1738	0.066	5	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	123.3545	1.843	2	123.3545	3.398	2	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]Os)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]Os){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Os<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Os<6>,1|C<3>,3|H<1>}	121.3087	0.136	3	121.3087	0.019	3	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]Pd)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]Pd){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	121.3965	0.419	4	121.3965	0.175	4	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]Re)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]Re){1|Re<6>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){2|Re<6>,1|C<3>,2|H<1>}	121.8385	0.973	4	121.8385	0.947	4	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]O[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]O[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]O[5]C){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]O[5]N){1|C<3>,1|C<4>,2|H<1>}	121.1260	0.072	2	121.1260	0.005	2	121.8374	0.934	574	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,2|H<1>,3|C<3>}	121.1065	0.672	6	121.0264	0.337	14	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C){2|C<3>,2|C<4>,2|H<1>}	120.9663	0.543	8	121.0264	0.337	14	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]N)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]N){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.5740	0.000	1	121.5740	0.000	1	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]N)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]N){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	120.4990	0.000	1	120.4990	0.000	1	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|Co<6>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<3>,2|C<4>,2|H<1>}	122.5150	0.151	5	122.5150	0.023	5	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|Fe<10>,1|C<3>,1|W<6>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|Fe<10>,1|C<3>,1|W<6>,2|H<1>,3|C<4>}	121.4120	0.068	2	121.6887	0.565	7	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|Fe<10>,1|Cr<6>,1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|Fe<10>,1|Cr<6>,1|C<3>,2|H<1>,3|C<4>}	122.2000	0.156	2	121.6887	0.565	7	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|Fe<10>,1|Mo<6>,1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|Fe<10>,1|Mo<6>,1|C<3>,2|H<1>,3|C<4>}	121.6940	0.000	1	121.6887	0.565	7	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|Pd<4>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|Pd<4>,2|C<4>,2|H<1>,3|C<3>}	121.4515	1.604	2	121.6887	0.565	7	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	121.8730	0.000	1	121.4297	0.092	7	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|Fe<10>,1|Ir<4>,1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<4>,1|C<3>,1|C<4>,2|H<1>}	121.4013	0.383	3	121.4297	0.092	7	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|Fe<10>,1|Ir<6>,1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,1|C<3>,1|C<4>,2|H<1>}	121.3103	0.096	3	121.4297	0.092	7	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ag)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ag){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Ag<2>,1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ag<2>,1|C<3>,1|C<4>,2|H<1>}	121.0300	0.000	1	121.0300	0.000	1	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ag)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ag){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ag<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ag<4>,1|C<3>,1|C<4>,2|H<1>}	120.5820	0.467	8	120.5820	0.218	8	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ag)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ag){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ag<2>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ag<2>,1|C<3>,1|C<4>,2|H<1>}	120.6977	0.685	3	120.4856	0.320	5	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ag)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ag){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ag<2>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ag<2>,2|C<3>,2|H<1>}	120.1675	0.070	2	120.4856	0.320	5	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ag)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ag){1|Ir<8>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ag<3>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir){1|Ag<3>,2|C<3>,2|H<1>}	120.7230	0.470	2	120.7230	0.220	2	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Al)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Al)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Al){1|Al<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Al<4>,1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Al){1|Al<4>,1|C<3>,1|C<4>,2|H<1>}	120.8308	0.641	6	120.8308	0.411	6	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Al)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Al)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Al){1|Al<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Al<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Al){1|Al<4>,1|C<3>,1|C<4>,2|H<1>}	120.9570	0.174	2	121.3234	0.380	14	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Al)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Al)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Al){1|Al<4>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Al<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Al){1|Al<4>,1|C<3>,3|H<1>}	121.5048	0.654	8	121.3234	0.380	14	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Al)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Al)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Al){1|Al<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Al<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Al){1|Al<4>,2|C<3>,2|H<1>}	121.3130	1.045	2	121.3234	0.380	14	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Al)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Al)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Al){1|Al<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Al<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Al){1|Al<5>,2|C<3>,2|H<1>}	121.1340	0.000	1	121.3234	0.380	14	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Al)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Al)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Al){1|Al<5>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Al<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Al){1|Al<4>,2|C<3>,2|H<1>}	120.8150	0.000	1	121.3234	0.380	14	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]As)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]As){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|As<1>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|As<1>,1|C<3>,1|C<4>,2|H<1>}	121.0135	1.867	2	121.0135	3.487	2	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Au)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Re)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Au){1|Re<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Au<2>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Re){1|Au<2>,2|C<3>,2|H<1>}	121.9980	0.000	1	121.9980	0.000	1	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B){1|B<4>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B){1|B<4>,1|C<3>,3|H<1>}	121.4405	0.740	2	121.2727	0.180	6	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B){1|B<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B){1|B<4>,2|C<3>,2|H<1>}	121.1887	0.298	4	121.2727	0.180	6	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<4>,1|C<3>,1|O<2>,2|H<1>}	120.8858	0.405	4	120.9200	0.192	29	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B){1|C<3>,1|C<4>,1|S<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<4>,1|C<3>,1|S<1>,2|H<1>}	121.1527	0.634	4	120.9200	0.192	29	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<4>,1|C<3>,1|S<2>,2|H<1>}	121.0773	0.328	6	120.9200	0.192	29	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<4>,1|C<3>,3|H<1>}	120.5330	0.551	3	120.9200	0.192	29	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B){1|Ni<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<4>,1|B<4>,1|C<3>,2|H<1>}	120.8719	0.390	12	120.9200	0.192	29	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B){1|C<3>,1|S<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|B<4>,1|C<3>,1|S<2>,2|H<1>}	121.1565	0.301	2	121.1565	0.090	2	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Be)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Be){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Be<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Be<4>,2|C<3>,2|H<1>}	120.7420	0.000	1	120.7420	0.000	1	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	121.0888	0.774	4	121.0888	0.599	4	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ag)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ag<2>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ag){1|C<3>,2|C<4>,2|H<1>}	121.9300	0.000	1	121.9300	0.000	1	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	121.4893	0.149	6	121.2664	0.201	20	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|H<1>,3|C<3>}	121.3970	0.000	1	121.2664	0.201	20	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,1|C<3>,1|H<1>,2|C<4>}	120.2800	0.000	1	121.2664	0.201	20	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,1|H<1>,3|C<3>}	121.8390	0.000	1	121.2664	0.201	20	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,1|C<4>,1|H<1>,2|C<3>}	121.7810	0.000	1	121.2664	0.201	20	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|H<1>,2|C<4>}	121.0949	0.442	9	121.2664	0.201	20	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	121.2400	0.000	1	121.2664	0.201	20	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Co<4>,1|Ru<8>,1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|Ru<8>,1|C<3>,1|H<1>,2|C<4>}	121.8865	0.250	2	121.8865	0.062	2	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Fe<4>,1|Ru<8>,1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe){1|Ru<8>,1|C<3>,1|H<1>,2|C<4>}	121.7990	0.252	2	121.7990	0.063	2	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ir<6>,1|C<4>,1|H<1>,2|C<3>}	121.5810	0.000	1	121.4946	0.322	7	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<8>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ir<8>,1|C<3>,1|H<1>,2|C<4>}	121.4835	0.484	2	121.4946	0.322	7	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<6>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<6>,1|C<3>,1|H<1>,2|C<4>}	121.3775	0.097	2	121.4946	0.322	7	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<8>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<8>,1|C<3>,1|H<1>,2|C<4>}	121.5795	1.281	2	121.4946	0.322	7	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pt)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pt<4>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pt){1|H<1>,2|C<3>,2|C<4>}	120.5770	0.000	1	120.5770	0.000	1	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Re)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Re<6>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Re){1|C<3>,2|C<4>,2|H<1>}	122.3268	0.667	6	122.3268	0.445	6	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<6>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru){1|C<3>,2|C<4>,2|H<1>}	122.0780	0.000	1	122.1615	0.013	4	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<9>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru){1|C<3>,2|C<4>,2|H<1>}	122.1893	0.119	3	122.1615	0.013	4	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Zn<5>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn){1|H<1>,2|C<3>,2|C<4>}	122.4020	0.000	1	122.4020	0.000	1	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Pt)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pt<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Pt){1|C<4>,2|H<1>,4|C<3>}	121.9720	0.000	1	121.9720	0.000	1	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]C[5]Mn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Mn<5>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]C[5]Mn){1|C<4>,2|C<3>,2|H<1>}	122.3010	0.419	2	122.3010	0.175	2	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]C[5]Ni)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]C[5]Ni){1|C<4>,2|C<3>,2|H<1>}	121.4862	0.619	4	121.4862	0.384	4	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,3|C<4>,4|H<1>}	121.9340	0.000	1	122.0324	0.152	7	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|Fe<10>,1|Ir<4>,1|C<3>,2|H<1>,3|C<4>}	121.9493	0.508	3	122.0324	0.152	7	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|Fe<10>,1|Ir<6>,1|C<3>,2|H<1>,3|C<4>}	122.1483	0.403	3	122.0324	0.152	7	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ag)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ag<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ag){1|C<3>,2|C<4>,2|H<1>}	121.9527	0.270	8	121.9527	0.073	8	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]As)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|As<1>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]As){1|C<3>,2|C<4>,2|H<1>}	121.9895	1.419	2	121.9895	2.014	2	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<4>,1|C<3>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	122.0582	0.458	5	122.0523	0.377	29	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<4>,1|C<3>,1|S<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B){1|C<3>,1|C<4>,1|S<1>,2|H<1>}	121.3963	1.221	4	122.0523	0.377	29	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<4>,1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	122.3957	0.346	6	122.0523	0.377	29	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<4>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B){1|C<3>,1|C<4>,3|H<1>}	122.3887	0.447	3	122.0523	0.377	29	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<4>,1|B<4>,1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B){1|Ni<4>,1|C<3>,1|C<4>,2|H<1>}	122.0091	0.381	11	122.0523	0.377	29	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Al<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Al<4>,1|C<3>,1|C<4>,2|H<1>}	121.3085	0.211	4	121.6730	0.410	975	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<3>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<3>,1|C<3>,1|C<4>,2|H<1>}	121.1870	0.714	2	121.6730	0.410	975	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	121.8591	0.375	18	121.6730	0.410	975	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	121.4753	0.379	12	121.6730	0.410	975	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|P<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|P<2>,2|H<1>}	121.6968	0.417	20	121.6730	0.410	975	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	122.0380	0.199	2	121.6730	0.410	975	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|S<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|S<1>,2|H<1>}	121.3386	0.924	7	121.6730	0.410	975	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	121.4540	0.957	18	121.6730	0.410	975	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,2|H<1>}	121.6205	0.704	4	121.6730	0.410	975	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	121.8760	0.459	225	121.6730	0.410	975	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,4|H<1>}	121.1855	0.264	2	121.6730	0.410	975	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	121.8939	0.485	25	121.6730	0.410	975	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,3|C<4>}	121.6380	0.000	1	121.6730	0.410	975	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	121.5696	0.611	70	121.6730	0.410	975	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,3|H<1>}	121.0295	0.495	4	121.6730	0.410	975	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<2>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<2>,1|C<3>,1|C<4>,2|H<1>}	121.8120	0.057	2	121.6730	0.410	975	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<3>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<3>,1|C<3>,1|C<4>,2|H<1>}	121.6376	0.578	22	121.6730	0.410	975	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<4>,1|C<3>,1|C<4>,2|H<1>}	121.6292	0.294	4	121.6730	0.410	975	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ga<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ga<4>,1|C<3>,1|C<4>,2|H<1>}	121.2740	0.220	4	121.6730	0.410	975	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<3>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<3>,1|C<3>,1|C<4>,2|H<1>}	121.5560	0.742	2	121.6730	0.410	975	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<4>,1|C<3>,1|C<4>,2|H<1>}	122.6615	0.084	2	121.6730	0.410	975	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<5>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<5>,1|C<3>,1|C<4>,2|H<1>}	122.0940	0.800	2	121.6730	0.410	975	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,1|C<3>,1|C<4>,2|H<1>}	121.6091	0.997	14	121.6730	0.410	975	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<8>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<8>,1|C<3>,1|C<4>,2|H<1>}	121.5619	0.701	12	121.6730	0.410	975	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<9>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<9>,1|C<3>,1|C<4>,2|H<1>}	121.6835	0.169	2	121.6730	0.410	975	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<4>,1|C<3>,1|C<4>,2|H<1>}	121.6896	0.549	60	121.6730	0.410	975	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<7>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<7>,1|C<3>,1|C<4>,2|H<1>}	121.7240	0.448	2	121.6730	0.410	975	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	121.5022	0.622	237	121.6730	0.410	975	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,2|C<3>,2|H<1>}	121.2940	0.000	1	121.6730	0.410	975	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	122.8660	0.000	1	121.6730	0.410	975	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<5>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<5>,1|C<3>,1|C<4>,2|H<1>}	121.8120	0.324	2	121.6730	0.410	975	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pt<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pt<4>,1|C<3>,1|C<4>,2|H<1>}	121.8299	0.828	59	121.6730	0.410	975	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Rh<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Rh<4>,1|C<3>,1|C<4>,2|H<1>}	121.6827	0.250	10	121.6730	0.410	975	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Rh<6>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Rh<6>,1|C<3>,1|C<4>,2|H<1>}	121.4516	0.484	15	121.6730	0.410	975	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Rh<8>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Rh<8>,1|C<3>,1|C<4>,2|H<1>}	122.7475	0.664	2	121.6730	0.410	975	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<5>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<5>,1|C<3>,1|C<4>,2|H<1>}	121.9320	0.185	2	121.6730	0.410	975	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<6>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<6>,1|C<3>,1|C<4>,2|H<1>}	121.6760	0.380	13	121.6730	0.410	975	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<6>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<6>,2|C<3>,2|H<1>}	121.6250	0.000	1	121.6730	0.410	975	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<6>,1|C<3>,1|C<4>,2|H<1>}	121.5370	0.000	1	121.6730	0.410	975	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<9>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<9>,1|C<3>,1|C<4>,2|H<1>}	121.6932	0.874	24	121.6730	0.410	975	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<1>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<1>,1|C<3>,1|C<4>,2|H<1>}	121.5532	0.956	20	121.6730	0.410	975	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	121.7142	0.969	41	121.6730	0.410	975	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	121.2272	0.310	4	121.6730	0.410	975	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cd<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd){1|C<3>,2|C<4>,2|H<1>}	122.2410	0.322	2	122.4560	0.199	18	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cd<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd){1|C<4>,2|C<3>,2|H<1>}	122.7510	0.000	1	122.4560	0.199	18	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cd<5>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd){1|C<3>,2|C<4>,2|H<1>}	122.4177	0.639	4	122.4560	0.199	18	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cd<5>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd){1|C<3>,1|C<4>,3|H<1>}	122.8953	0.114	4	122.4560	0.199	18	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cd<5>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd){1|C<4>,2|C<3>,2|H<1>}	122.2700	0.000	1	122.4560	0.199	18	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cd<6>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd){1|C<3>,2|C<4>,2|H<1>}	122.1045	0.369	4	122.4560	0.199	18	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cd<8>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd){1|C<3>,2|C<4>,2|H<1>}	122.5175	0.322	2	122.4560	0.199	18	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Co<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<3>,2|C<4>,2|H<1>}	122.3810	0.000	1	122.3559	0.237	21	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Co<4>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<3>,1|C<4>,3|H<1>}	122.1735	0.360	10	122.3559	0.237	21	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Co<4>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	122.8273	0.125	3	122.3559	0.237	21	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Co<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<4>,2|C<3>,2|H<1>}	122.7625	0.527	4	122.3559	0.237	21	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Co<5>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<4>,2|C<3>,2|H<1>}	121.9420	0.514	3	122.3559	0.237	21	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cr)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cr<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cr){1|C<4>,2|C<3>,2|H<1>}	122.3300	0.291	5	122.3300	0.085	5	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<3>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,2|C<4>,2|H<1>}	121.3330	1.079	4	121.9458	0.688	32	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<4>,2|C<3>,2|H<1>}	122.1155	0.581	2	121.9458	0.688	32	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,2|C<4>,2|H<1>}	121.7304	0.984	11	121.9458	0.688	32	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<4>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,1|C<4>,3|H<1>}	122.5613	0.235	3	121.9458	0.688	32	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<4>,2|C<3>,2|H<1>}	122.3610	0.459	7	121.9458	0.688	32	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<5>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,2|C<4>,2|H<1>}	122.4180	0.116	2	121.9458	0.688	32	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<5>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<4>,2|C<3>,2|H<1>}	122.3900	0.000	1	121.9458	0.688	32	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<5>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,1|C<4>,3|H<1>}	121.0770	0.000	1	121.9458	0.688	32	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<5>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<4>,2|C<3>,2|H<1>}	121.1540	0.000	1	121.9458	0.688	32	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Fe<5>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe){1|C<3>,2|C<4>,2|H<1>}	122.1544	0.294	8	122.3214	0.168	33	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Fe<5>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe){1|C<4>,2|C<3>,2|H<1>}	122.4410	0.339	3	122.3214	0.168	33	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Fe<6>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe){1|C<3>,2|C<4>,2|H<1>}	122.3995	0.421	13	122.3214	0.168	33	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Fe<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe){1|C<4>,2|C<3>,2|H<1>}	122.4280	0.529	7	122.3214	0.168	33	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Fe<7>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe){1|C<3>,2|C<4>,2|H<1>}	121.9290	0.018	2	122.3214	0.168	33	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ge)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ge<1>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ge){1|C<3>,2|C<4>,2|H<1>}	122.0270	0.000	1	121.6720	0.302	4	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ge)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ge<5>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ge){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	121.6490	0.000	1	121.6720	0.302	4	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ge)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ge<5>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ge){1|C<3>,2|C<4>,2|H<1>}	121.5060	0.851	2	121.6720	0.302	4	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<2>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	122.3730	0.000	1	121.7975	0.713	64	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,2|C<4>,2|H<1>}	121.6488	0.645	9	121.7975	0.713	64	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	120.5575	0.585	2	121.7975	0.713	64	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	123.2900	0.000	1	121.7975	0.713	64	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	120.8220	0.000	1	121.7975	0.713	64	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|S<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|S<1>,2|H<1>}	118.4370	0.000	1	121.7975	0.713	64	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|S<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|S<2>}	122.2960	0.000	1	121.7975	0.713	64	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,3|H<1>}	122.0749	0.389	15	121.7975	0.713	64	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Mn<6>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Mn<6>,1|C<3>,1|C<4>,2|H<1>}	121.5430	0.000	1	121.7975	0.713	64	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<4>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ni<4>,1|C<3>,1|C<4>,2|H<1>}	121.7530	0.206	2	121.7975	0.713	64	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pt<4>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Pt<4>,1|C<3>,1|C<4>,2|H<1>}	121.9160	0.000	1	121.7975	0.713	64	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Re<6>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Re<6>,1|C<3>,1|C<4>,2|H<1>}	120.8395	0.751	4	121.7975	0.713	64	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<6>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<6>,1|C<3>,1|C<4>,2|H<1>}	122.1734	0.417	5	121.7975	0.713	64	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<1>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Se<1>,1|C<3>,1|C<4>,2|H<1>}	121.6460	0.000	1	121.7975	0.713	64	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<2>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	122.4384	0.853	10	121.7975	0.713	64	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	121.5024	0.405	9	121.7975	0.713	64	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Hg)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Hg<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Hg){1|C<3>,2|C<4>,2|H<1>}	121.9893	0.299	3	122.2294	0.212	9	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Hg)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Hg<4>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Hg){1|C<3>,1|C<4>,3|H<1>}	122.3888	0.551	5	122.2294	0.212	9	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Hg)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Hg<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Hg){1|C<4>,2|C<3>,2|H<1>}	122.1530	0.000	1	122.2294	0.212	9	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir){1|C<4>,2|C<3>,2|H<1>}	121.8965	1.103	23	121.9705	1.245	26	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir){1|C<4>,1|H<1>,3|C<3>}	122.0050	0.000	1	121.9705	1.245	26	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<8>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir){1|C<4>,1|H<1>,3|C<3>}	122.8045	1.689	2	121.9705	1.245	26	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Mn<6>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mn){1|C<3>,2|C<4>,2|H<1>}	121.9646	0.451	16	122.1006	0.275	20	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Mn<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mn){1|C<4>,2|C<3>,2|H<1>}	122.6445	0.482	4	122.1006	0.275	20	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]N)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,1|S<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]N){1|C<3>,1|C<4>,1|S<1>,2|H<1>}	121.5230	0.000	1	121.3330	0.072	2	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]N)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]N){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	121.1430	0.000	1	121.3330	0.072	2	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni){1|C<3>,2|C<4>,2|H<1>}	121.9592	1.183	4	122.0413	0.685	26	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<4>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni){1|C<3>,1|C<4>,3|H<1>}	122.6560	0.434	2	122.0413	0.685	26	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<5>,1|Si<4>,1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	121.4263	0.148	3	122.0413	0.685	26	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<5>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni){1|C<4>,2|C<3>,2|H<1>}	121.2297	0.288	3	122.0413	0.685	26	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<6>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni){1|C<3>,2|C<4>,2|H<1>}	122.4432	0.870	9	122.0413	0.685	26	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni){1|C<4>,2|C<3>,2|H<1>}	121.9934	0.526	5	122.0413	0.685	26	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Os)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Os<6>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Os){1|C<3>,1|C<4>,3|H<1>}	122.1495	0.387	2	121.7597	1.492	18	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Os)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Os<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Os){1|C<4>,2|C<3>,2|H<1>}	121.6853	1.329	15	121.7597	1.492	18	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Os)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Os<9>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Os){1|C<4>,1|H<1>,3|C<3>}	122.0960	0.000	1	121.7597	1.492	18	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]P)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|P<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]P){1|C<3>,2|C<4>,2|H<1>}	122.2320	0.232	3	122.2320	0.054	3	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pd)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pd){1|C<3>,2|C<4>,2|H<1>}	122.0180	0.407	3	121.9135	0.396	8	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pd)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pd){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	121.5885	0.049	2	121.9135	0.396	8	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pd)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pd){1|C<3>,1|C<4>,3|H<1>}	122.0257	1.039	3	121.9135	0.396	8	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pt)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pt<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pt){1|C<4>,2|C<3>,2|H<1>}	122.2246	0.507	5	122.4131	0.222	9	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pt)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pt<6>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pt){1|C<3>,1|C<4>,3|H<1>}	122.6488	0.343	4	122.4131	0.222	9	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Re)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Re<6>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Re){1|C<3>,2|C<4>,2|H<1>}	122.3410	0.264	4	122.3549	0.781	31	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Re)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Re<6>,1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Re){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	122.1345	1.549	4	122.3549	0.781	31	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Re)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Re<6>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Re){1|C<3>,1|C<4>,3|H<1>}	122.1819	0.806	17	122.3549	0.781	31	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Re)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Re<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Re){1|C<4>,2|C<3>,2|H<1>}	123.0013	0.696	6	122.3549	0.781	31	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Rh)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Rh<6>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Rh){1|C<3>,2|C<4>,2|H<1>}	122.4800	0.000	1	121.7605	1.035	2	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Rh)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Rh<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Rh){1|C<4>,2|C<3>,2|H<1>}	121.0410	0.000	1	121.7605	1.035	2	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<6>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru){1|C<3>,1|C<4>,3|H<1>}	121.5660	0.000	1	122.0133	0.230	6	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<9>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru){1|C<3>,1|C<4>,3|H<1>}	122.3423	0.489	3	122.0133	0.230	6	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<9>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru){1|C<4>,2|C<3>,2|H<1>}	121.7370	0.000	1	122.0133	0.230	6	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<9>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru){1|C<4>,1|H<1>,3|C<3>}	121.7500	0.000	1	122.0133	0.230	6	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,1|S<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	121.6370	0.000	1	121.6370	0.000	1	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Sn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Sn<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Sn){1|C<4>,2|C<3>,2|H<1>}	122.0990	0.416	2	122.0990	0.173	2	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Te)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Te<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Te){1|C<4>,2|C<3>,2|H<1>}	121.6500	0.288	2	121.6500	0.083	2	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Si<4>,1|Zn<4>,1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	121.2379	0.464	12	121.9630	0.516	39	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Zn<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn){1|C<3>,2|C<4>,2|H<1>}	122.4510	0.631	4	121.9630	0.516	39	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Zn<4>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn){1|C<3>,1|C<4>,3|H<1>}	122.1058	0.469	6	121.9630	0.516	39	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Zn<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn){1|C<4>,2|C<3>,2|H<1>}	121.8588	0.754	5	121.9630	0.516	39	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Zn<5>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn){1|C<3>,1|C<4>,3|H<1>}	122.8100	0.000	1	121.9630	0.516	39	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Zn<5>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn){1|C<4>,2|C<3>,2|H<1>}	122.9025	0.784	2	121.9630	0.516	39	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Zn<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn){1|C<4>,2|C<3>,2|H<1>}	122.3728	0.283	9	121.9630	0.516	39	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	122.0907	0.514	4	122.0907	0.264	4	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cd<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cd<5>,1|C<3>,3|H<1>}	120.2562	0.049	4	120.4370	0.397	18	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cd<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cd<4>,1|C<3>,1|C<4>,2|H<1>}	120.0850	0.369	2	120.4370	0.397	18	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cd<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cd<5>,1|C<3>,1|C<4>,2|H<1>}	120.7540	1.244	4	120.4370	0.397	18	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cd<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cd<6>,1|C<3>,1|C<4>,2|H<1>}	120.7362	0.234	4	120.4370	0.397	18	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cd<8>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cd<8>,1|C<3>,1|C<4>,2|H<1>}	119.9600	0.380	2	120.4370	0.397	18	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cd<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cd<4>,2|C<3>,2|H<1>}	120.2310	0.000	1	120.4370	0.397	18	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cd<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cd<5>,2|C<3>,2|H<1>}	120.5590	0.000	1	120.4370	0.397	18	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cd<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cd<4>,1|C<3>,1|C<4>,2|H<1>}	120.5130	0.137	2	120.5111	0.216	26	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cd<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cd<5>,1|C<3>,1|C<4>,2|H<1>}	120.4925	0.094	4	120.5111	0.216	26	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cd<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cd<6>,1|C<3>,3|H<1>}	120.4612	0.405	6	120.5111	0.216	26	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cd<8>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cd<8>,1|C<3>,3|H<1>}	120.8963	0.027	3	120.5111	0.216	26	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cd<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cd<4>,2|C<3>,2|H<1>}	120.6550	0.000	1	120.5111	0.216	26	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cd<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cd<5>,2|C<3>,2|H<1>}	120.3713	0.389	3	120.5111	0.216	26	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cd<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cd<6>,2|C<3>,2|H<1>}	120.4383	0.781	7	120.5111	0.216	26	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cl)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cl){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|C<3>,3|H<1>}	123.5010	0.000	1	123.5010	0.000	1	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Co<6>,1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|Co<6>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	119.3058	0.226	5	119.3058	0.051	5	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|Ru<8>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Co<4>,1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Co<4>,1|Ru<8>,1|C<3>,1|C<4>,1|H<1>}	119.9275	0.398	2	119.9275	0.158	2	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Co<4>,1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<4>,1|C<3>,1|C<4>,2|H<1>}	120.5000	0.000	1	120.2403	0.198	3	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Co<6>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<6>,2|C<3>,2|H<1>}	120.1105	0.544	2	120.2403	0.198	3	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Co<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Co<4>,1|C<3>,3|H<1>}	120.8764	0.330	10	120.8077	0.177	18	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Co<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Co<4>,1|C<3>,1|C<4>,2|H<1>}	120.3720	0.000	1	120.8077	0.177	18	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Co<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Co<4>,2|C<3>,2|H<1>}	120.6310	0.540	4	120.8077	0.177	18	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Co<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Co<5>,2|C<3>,2|H<1>}	120.9597	0.599	3	120.8077	0.177	18	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Co<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<4>,1|C<3>,1|C<4>,2|H<1>}	120.9348	0.220	5	120.4027	0.513	75	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Co<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<5>,1|C<3>,1|C<4>,2|H<1>}	120.6006	0.257	5	120.4027	0.513	75	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<6>,1|C<3>,1|C<4>,2|H<1>}	120.5377	0.530	3	120.4027	0.513	75	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Co<7>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<7>,1|C<3>,1|C<4>,2|H<1>}	119.9180	0.187	2	120.4027	0.513	75	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<3>,1|N<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Co<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<5>,1|C<3>,1|N<2>,2|H<1>}	119.9430	0.000	1	120.4027	0.513	75	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Co<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<5>,1|C<3>,1|N<3>,2|H<1>}	120.3080	0.641	2	120.4027	0.513	75	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<3>,1|S<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Co<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<4>,1|C<3>,1|S<2>,2|H<1>}	121.0265	0.394	2	120.4027	0.513	75	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Co<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<4>,1|C<3>,3|H<1>}	120.7743	0.579	6	120.4027	0.513	75	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<6>,1|C<3>,3|H<1>}	119.7133	0.463	9	120.4027	0.513	75	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Co<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<4>,2|C<3>,2|H<1>}	120.6409	1.149	14	120.4027	0.513	75	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Co<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<5>,2|C<3>,2|H<1>}	120.4406	0.468	5	120.4027	0.513	75	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<6>,2|C<3>,2|H<1>}	120.2486	0.519	21	120.4027	0.513	75	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Co<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(N[5]C[5]H){1|Co<5>,1|C<3>,3|H<1>}	119.9910	0.000	1	119.9910	0.000	1	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H){1|Co<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Co<4>,1|C<3>,3|H<1>}	120.6417	0.246	3	120.6417	0.060	3	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<6>,1|C<3>,3|H<1>}	120.4395	0.100	2	120.4395	0.010	2	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cr)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cr){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cr<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cr<6>,2|C<3>,2|H<1>}	120.8566	0.428	5	120.8566	0.183	5	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cr)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cr){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cr<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cr<6>,1|C<3>,1|C<4>,2|H<1>}	120.3736	0.847	5	120.4964	0.522	7	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cr)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cr){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cr<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cr<6>,2|C<3>,2|H<1>}	120.8035	0.001	2	120.4964	0.522	7	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Cu<5>,1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<5>,1|C<3>,1|H<1>,2|C<4>}	120.1880	0.000	1	120.0955	0.017	2	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Cu<6>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<6>,2|C<3>,2|H<1>}	120.0030	0.000	1	120.0955	0.017	2	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<4>,1|C<3>,3|H<1>}	120.3433	0.049	3	120.6193	0.435	32	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<5>,1|C<3>,3|H<1>}	119.6420	0.000	1	120.6193	0.435	32	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cu<3>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<3>,1|C<3>,1|C<4>,2|H<1>}	121.3427	0.620	4	120.6193	0.435	32	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<4>,1|C<3>,1|C<4>,2|H<1>}	120.7898	0.702	11	120.6193	0.435	32	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<5>,1|C<3>,1|C<4>,2|H<1>}	120.5390	0.052	2	120.6193	0.435	32	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cu<3>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<3>,2|C<3>,2|H<1>}	120.7735	0.781	2	120.6193	0.435	32	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<4>,2|C<3>,2|H<1>}	120.1453	0.387	7	120.6193	0.435	32	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<5>,1|C<3>,1|C<4>,2|H<1>}	120.1670	0.000	1	120.6193	0.435	32	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<5>,2|C<3>,2|H<1>}	121.2790	0.000	1	120.6193	0.435	32	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cu<2>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<2>,1|C<3>,1|C<4>,2|H<1>}	120.2553	0.254	3	120.3478	0.263	58	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cu<3>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<3>,1|C<3>,1|C<4>,2|H<1>}	120.3275	0.539	4	120.3478	0.263	58	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<4>,1|C<3>,1|C<4>,2|H<1>}	120.5960	0.374	8	120.3478	0.263	58	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<5>,1|C<3>,1|C<4>,2|H<1>}	120.3358	0.602	18	120.3478	0.263	58	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cu<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<6>,1|C<3>,1|C<4>,2|H<1>}	120.2290	0.592	4	120.3478	0.263	58	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<4>,1|C<3>,1|N<3>,2|H<1>}	119.9810	0.000	1	120.3478	0.263	58	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,1|S<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<4>,1|C<3>,1|S<2>,2|H<1>}	120.0660	0.303	2	120.3478	0.263	58	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<4>,1|C<3>,3|H<1>}	119.5630	0.000	1	120.3478	0.263	58	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cu<2>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<2>,2|C<3>,2|H<1>}	119.8220	0.000	1	120.3478	0.263	58	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<4>,2|C<3>,2|H<1>}	120.5648	0.483	12	120.3478	0.263	58	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<5>,2|C<3>,2|H<1>}	120.0225	0.367	4	120.3478	0.263	58	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<5>,1|C<3>,1|C<4>,2|H<1>}	120.4920	0.000	1	120.4920	0.000	1	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Dy)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Dy){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Dy<15>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Dy<15>,1|C<3>,1|N<3>,2|H<1>}	120.4880	0.075	2	120.4880	0.006	2	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Eu)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Eu){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Eu<13>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Eu<13>,1|C<3>,1|C<4>,2|H<1>}	118.4370	0.000	1	118.6746	0.780	5	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Eu)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Eu){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Eu<13>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Eu<13>,2|C<3>,2|H<1>}	118.7340	1.008	4	118.6746	0.780	5	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe){1|Ru<8>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Fe<4>,1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Fe<4>,1|Ru<8>,1|C<3>,1|C<4>,1|H<1>}	120.1710	0.150	2	120.1710	0.022	2	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Fe<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Fe<5>,1|C<3>,1|C<4>,2|H<1>}	120.7635	0.318	8	120.6557	0.253	32	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Fe<6>,1|C<3>,1|C<4>,2|H<1>}	120.5362	0.527	12	120.6557	0.253	32	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Fe<7>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Fe<7>,1|C<3>,1|C<4>,2|H<1>}	121.5225	0.476	2	120.6557	0.253	32	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Fe<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Fe<5>,2|C<3>,2|H<1>}	120.5317	0.427	3	120.6557	0.253	32	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Fe<6>,2|C<3>,2|H<1>}	120.5430	0.515	7	120.6557	0.253	32	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe){1|Fe<4>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Fe<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe){1|Fe<4>,1|C<3>,3|H<1>}	121.3245	0.263	4	121.3245	0.069	4	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Fe<6>,1|C<3>,1|C<4>,2|H<1>}	120.8668	1.346	9	120.6004	0.838	22	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Fe<6>,1|C<3>,1|N<3>,2|H<1>}	120.0380	0.000	1	120.6004	0.838	22	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe){1|C<3>,1|S<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Fe<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Fe<4>,1|C<3>,1|S<2>,2|H<1>}	120.0730	0.000	1	120.6004	0.838	22	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Fe<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Fe<4>,2|C<3>,2|H<1>}	120.5783	0.224	3	120.6004	0.838	22	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Fe<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Fe<5>,2|C<3>,2|H<1>}	120.7440	0.000	1	120.6004	0.838	22	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Fe<6>,2|C<3>,2|H<1>}	120.4026	0.495	7	120.6004	0.838	22	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ga)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ga)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ga){1|Ga<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ga<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ga){1|Ga<4>,1|C<3>,1|C<4>,2|H<1>}	120.6380	0.089	2	121.0305	0.132	6	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ga)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ga)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ga){1|Ga<4>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ga<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ga){1|Ga<4>,1|C<3>,3|H<1>}	121.2267	0.250	4	121.0305	0.132	6	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Gd)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Gd){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Gd<15>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Gd<15>,2|C<3>,2|H<1>}	119.3620	0.000	1	119.3620	0.000	1	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ge)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ge){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ge<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ge<5>,1|C<3>,1|C<4>,2|H<1>}	121.7380	0.000	1	121.6745	0.203	4	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ge)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ge){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ge<1>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ge<1>,1|C<3>,1|C<4>,2|H<1>}	121.3520	0.000	1	121.6745	0.203	4	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ge)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ge){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ge<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ge<5>,1|C<3>,1|C<4>,2|H<1>}	121.8040	0.684	2	121.6745	0.203	4	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,3|H<1>}	122.2370	0.000	1	121.3660	0.510	8	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ir<6>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,2|C<3>,2|H<1>}	121.7800	0.000	1	121.3660	0.510	8	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ir<8>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<8>,1|C<3>,1|C<4>,2|H<1>}	121.5455	0.040	2	121.3660	0.510	8	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<6>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<6>,1|C<3>,1|C<4>,2|H<1>}	121.2060	0.530	2	121.3660	0.510	8	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<8>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<8>,1|C<3>,1|C<4>,2|H<1>}	120.7040	1.168	2	121.3660	0.510	8	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<3>,1|C<4>,3|H<1>}	121.6060	0.000	1	122.0053	0.162	3	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){2|C<3>,3|H<1>}	122.2050	0.293	2	122.0053	0.162	3	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<5>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,2|C<4>,2|H<1>}	121.5590	0.000	1	121.9600	0.322	2	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){2|C<3>,3|H<1>}	122.3610	0.000	1	121.9600	0.322	2	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	120.9840	0.076	2	121.4428	0.493	12	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|S<2>,3|H<1>}	120.9870	0.000	1	121.4428	0.493	12	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,3|H<1>}	120.7590	0.033	2	121.4428	0.493	12	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,3|H<1>}	122.9990	0.000	1	121.4428	0.493	12	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	121.1025	0.333	2	121.4428	0.493	12	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,3|H<1>}	122.1270	0.071	2	121.4428	0.493	12	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,3|H<1>}	121.6910	0.167	2	121.4428	0.493	12	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Hg)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Hg<4>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Hg){1|C<3>,2|C<4>,2|H<1>}	122.2010	0.000	1	122.2010	0.000	1	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ir<6>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir){1|C<4>,2|C<3>,2|H<1>}	121.2630	0.624	2	121.2630	0.389	2	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ni<6>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni){1|C<3>,1|C<4>,3|H<1>}	121.3613	0.392	3	121.7654	0.403	5	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ni<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni){2|C<3>,3|H<1>}	122.3715	0.281	2	121.7654	0.403	5	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<6>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru){1|C<3>,1|C<4>,3|H<1>}	122.0100	0.000	1	122.0100	0.000	1	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Zn<4>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn){1|C<3>,2|C<4>,2|H<1>}	122.1340	0.000	1	122.1340	0.000	1	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,4|H<1>}	122.8285	0.511	2	122.8285	0.261	2	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|H<1>,1|S<1>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|S<1>,2|H<1>}	120.1600	0.000	1	120.1600	0.000	1	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ag)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ag<2>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ag){1|C<3>,1|C<4>,3|H<1>}	122.3943	0.695	3	122.4352	0.257	5	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ag)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ag<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ag){2|C<3>,3|H<1>}	122.4965	0.227	2	122.4352	0.257	5	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|B<4>,1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B){1|C<3>,1|S<2>,3|H<1>}	121.4935	0.134	2	121.4935	0.018	2	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Be)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Be<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Be){2|C<3>,3|H<1>}	121.9460	0.000	1	121.9460	0.000	1	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<2>,1|C<3>,3|H<1>}	121.6140	0.000	1	121.8105	0.392	60	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,3|H<1>}	121.9350	0.000	1	121.8105	0.392	60	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|S<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|S<1>,3|H<1>}	123.5650	0.000	1	121.8105	0.392	60	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,4|H<1>}	121.5038	0.458	15	121.8105	0.392	60	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	122.1620	0.512	9	121.8105	0.392	60	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,3|H<1>}	121.9807	0.314	9	121.8105	0.392	60	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Mn<6>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Mn<6>,1|C<3>,3|H<1>}	121.7920	0.000	1	121.8105	0.392	60	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ni<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<4>,1|C<3>,3|H<1>}	121.9790	0.249	2	121.8105	0.392	60	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Pt<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pt<4>,1|C<3>,3|H<1>}	121.6870	0.000	1	121.8105	0.392	60	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Re<6>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Re<6>,1|C<3>,3|H<1>}	122.3295	0.522	4	121.8105	0.392	60	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<6>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<6>,1|C<3>,3|H<1>}	121.7740	0.701	5	121.8105	0.392	60	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Se<1>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<1>,1|C<3>,3|H<1>}	121.4220	0.000	1	121.8105	0.392	60	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<2>,1|C<3>,3|H<1>}	121.4625	0.817	10	121.8105	0.392	60	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cd<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd){1|C<3>,1|C<4>,3|H<1>}	122.4330	0.136	2	122.1342	0.251	26	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cd<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd){2|C<3>,3|H<1>}	122.1220	0.000	1	122.1342	0.251	26	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cd<5>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd){1|C<3>,1|C<4>,3|H<1>}	122.2570	0.169	4	122.1342	0.251	26	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cd<5>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd){2|C<3>,3|H<1>}	122.0957	0.422	3	122.1342	0.251	26	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cd<6>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd){1|C<3>,4|H<1>}	122.1117	0.500	6	122.1342	0.251	26	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cd<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd){2|C<3>,3|H<1>}	122.2274	0.751	7	122.1342	0.251	26	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cd<8>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd){1|C<3>,4|H<1>}	121.6417	0.276	3	122.1342	0.251	26	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cl)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cl){1|C<3>,4|H<1>}	119.5310	0.000	1	119.5310	0.000	1	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<3>,1|C<4>,3|H<1>}	122.1930	0.094	5	122.0592	0.617	78	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<4>,1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<3>,1|S<2>,3|H<1>}	120.3460	0.765	2	122.0592	0.617	78	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<4>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<3>,4|H<1>}	122.0868	0.355	6	122.0592	0.617	78	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){2|C<3>,3|H<1>}	121.8266	0.923	14	122.0592	0.617	78	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<5>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<3>,1|C<4>,3|H<1>}	121.9896	0.387	5	122.0592	0.617	78	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<5>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<3>,1|N<2>,3|H<1>}	121.6960	0.000	1	122.0592	0.617	78	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<5>,1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<3>,1|N<3>,3|H<1>}	122.6285	0.121	2	122.0592	0.617	78	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<5>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){2|C<3>,3|H<1>}	122.2906	0.369	5	122.0592	0.617	78	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<6>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<3>,1|C<4>,3|H<1>}	122.2837	0.572	3	122.0592	0.617	78	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<6>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<3>,1|N<3>,3|H<1>}	122.9965	0.855	2	122.0592	0.617	78	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<6>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<3>,4|H<1>}	122.6161	0.473	10	122.0592	0.617	78	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){2|C<3>,3|H<1>}	121.8372	0.898	21	122.0592	0.617	78	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<7>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<3>,1|C<4>,3|H<1>}	122.4640	0.593	2	122.0592	0.617	78	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cr)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cr<6>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cr){1|C<3>,1|C<4>,3|H<1>}	122.1898	0.582	5	122.0914	0.257	7	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cr)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cr<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cr){2|C<3>,3|H<1>}	121.8455	0.118	2	122.0914	0.257	7	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<2>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,1|C<4>,3|H<1>}	122.5253	0.253	3	122.2648	0.251	59	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){2|C<3>,3|H<1>}	122.3860	0.000	1	122.2648	0.251	59	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<3>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,1|C<4>,3|H<1>}	122.4425	0.212	4	122.2648	0.251	59	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,1|C<4>,3|H<1>}	122.1565	0.319	8	122.2648	0.251	59	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<4>,1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,1|N<3>,3|H<1>}	122.8240	0.000	1	122.2648	0.251	59	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<4>,1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,1|S<2>,3|H<1>}	122.6015	0.489	2	122.2648	0.251	59	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<4>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,4|H<1>}	123.2760	0.000	1	122.2648	0.251	59	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){2|C<3>,3|H<1>}	122.0966	0.346	12	122.2648	0.251	59	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<5>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	122.5630	0.000	1	122.2648	0.251	59	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<5>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,1|C<4>,3|H<1>}	122.0944	0.662	18	122.2648	0.251	59	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<5>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){2|C<3>,3|H<1>}	122.6008	0.401	4	122.2648	0.251	59	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<6>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,1|C<4>,3|H<1>}	122.3783	0.468	4	122.2648	0.251	59	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Dy)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Dy<15>,1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Dy){1|C<3>,1|N<3>,3|H<1>}	122.5480	0.447	2	122.5480	0.200	2	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Eu)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Eu<13>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Eu){1|C<3>,1|C<4>,3|H<1>}	121.4200	0.000	1	122.2448	0.215	5	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Eu)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Eu<13>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Eu){2|C<3>,3|H<1>}	122.4510	0.051	4	122.2448	0.215	5	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Fe<4>,1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe){1|C<3>,1|S<2>,3|H<1>}	122.0680	0.000	1	122.3625	0.669	23	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Fe<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe){2|C<3>,3|H<1>}	122.3417	0.520	3	122.3625	0.669	23	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Fe<5>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe){2|C<3>,3|H<1>}	122.0550	0.000	1	122.3625	0.669	23	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Fe<6>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe){1|C<3>,1|C<4>,3|H<1>}	122.3964	1.163	10	122.3625	0.669	23	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Fe<6>,1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe){1|C<3>,1|N<3>,3|H<1>}	122.8260	0.000	1	122.3625	0.669	23	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Fe<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe){2|C<3>,3|H<1>}	122.3427	0.514	7	122.3625	0.669	23	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Gd)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Gd<15>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Gd){2|C<3>,3|H<1>}	122.8370	0.000	1	122.8370	0.000	1	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,2|C<4>,2|H<1>}	120.3950	0.000	1	121.7178	0.593	544	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,3|H<1>}	121.7381	0.642	191	121.7178	0.593	544	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,3|H<1>}	121.6795	0.552	2	121.7178	0.593	544	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	120.6940	0.000	1	121.7178	0.593	544	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|N<3>,2|C<3>,2|H<1>}	121.2505	0.289	2	121.7178	0.593	544	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,2|H<1>,2|N<3>}	121.5400	0.000	1	121.7178	0.593	544	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,3|H<1>}	121.6668	0.438	69	121.7178	0.593	544	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|S<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,1|S<1>,2|H<1>}	121.1035	0.112	2	121.7178	0.593	544	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|S<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<2>,1|S<1>,2|H<1>}	120.7340	0.000	1	121.7178	0.593	544	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|S<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|S<1>,3|H<1>}	121.1300	1.278	3	121.7178	0.593	544	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|S<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	121.2800	0.000	1	121.7178	0.593	544	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|S<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|S<2>,3|H<1>}	121.7798	0.802	12	121.7178	0.593	544	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.4310	0.000	1	121.7178	0.593	544	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,3|H<1>}	121.8835	0.969	2	121.7178	0.593	544	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|C<3>,3|H<1>}	121.4315	0.515	2	121.7178	0.593	544	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,3|H<1>}	121.8940	0.000	1	121.7178	0.593	544	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,4|H<1>}	121.8132	0.888	169	121.7178	0.593	544	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Fe<5>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Fe<5>,1|C<3>,1|O<2>,2|H<1>}	120.2420	0.000	1	121.7178	0.593	544	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Re<6>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Re<6>,1|C<3>,3|H<1>}	121.6063	0.723	10	121.7178	0.593	544	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,3|H<1>}	121.6442	0.982	72	121.7178	0.593	544	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Hg)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Hg<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Hg){1|C<3>,1|C<4>,3|H<1>}	121.7777	0.592	3	121.9265	0.322	4	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Hg)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Hg<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Hg){2|C<3>,3|H<1>}	122.3730	0.000	1	121.9265	0.322	4	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ho)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ho<15>,1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ho){1|C<3>,1|N<3>,3|H<1>}	123.6000	0.836	2	123.6000	0.699	2	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ir<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir){2|C<3>,3|H<1>}	122.7290	0.824	6	122.5535	0.818	11	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ir<8>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir){2|C<3>,3|H<1>}	122.3428	1.047	5	122.5535	0.818	11	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Mn<5>,1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mn){1|C<3>,1|N<3>,3|H<1>}	122.3180	0.000	1	122.1918	0.312	50	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Mn<5>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mn){2|C<3>,3|H<1>}	122.3470	0.000	1	122.1918	0.312	50	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Mn<6>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mn){1|C<3>,1|C<4>,3|H<1>}	122.1710	0.582	32	122.1918	0.312	50	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Mn<6>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mn){1|C<3>,4|H<1>}	122.1803	0.628	3	122.1918	0.312	50	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Mn<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mn){2|C<3>,3|H<1>}	122.2649	0.610	11	122.1918	0.312	50	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Mn<8>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mn){1|C<3>,4|H<1>}	122.2020	0.000	1	122.1918	0.312	50	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Mn<8>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mn){2|C<3>,3|H<1>}	121.7980	0.000	1	122.1918	0.312	50	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mo)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Mo<6>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mo){1|C<3>,1|C<4>,3|H<1>}	122.5780	0.000	1	122.0540	0.549	2	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mo)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Mo<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mo){2|C<3>,3|H<1>}	121.5300	0.000	1	122.0540	0.549	2	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ni<4>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni){1|C<3>,4|H<1>}	122.7920	0.000	1	122.1175	0.768	54	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ni<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni){2|C<3>,3|H<1>}	123.0730	1.523	3	122.1175	0.768	54	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ni<5>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni){2|C<3>,3|H<1>}	123.1570	0.000	1	122.1175	0.768	54	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ni<6>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni){1|C<3>,1|C<4>,3|H<1>}	122.3351	0.470	22	122.1175	0.768	54	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ni<6>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni){1|C<3>,4|H<1>}	122.3272	0.368	5	122.1175	0.768	54	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ni<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni){2|C<3>,3|H<1>}	121.6061	0.936	18	122.1175	0.768	54	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ni<7>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni){2|C<3>,3|H<1>}	121.8140	1.336	4	122.1175	0.768	54	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Os)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Os<6>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Os){1|C<3>,4|H<1>}	122.7252	0.295	5	122.4093	0.449	9	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Os)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Os<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Os){2|C<3>,3|H<1>}	121.7030	0.000	1	122.4093	0.449	9	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Os)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Os<9>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Os){1|C<3>,4|H<1>}	122.4880	0.000	1	122.4093	0.449	9	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Os)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Os<9>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Os){2|C<3>,3|H<1>}	121.9335	1.337	2	122.4093	0.449	9	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pd)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Pd<4>,1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pd){1|C<3>,1|S<2>,3|H<1>}	121.5590	0.000	1	121.5590	0.000	1	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pt)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Pt<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pt){2|C<3>,3|H<1>}	122.4722	0.556	9	122.4722	0.309	9	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Re)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Re<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Re){2|C<3>,3|H<1>}	122.8460	0.000	1	122.8460	0.000	1	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Rh)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Rh<6>,1|C<3>,1|S<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Rh){1|C<3>,1|S<3>,3|H<1>}	121.3990	0.000	1	121.3990	0.000	1	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<6>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru){1|C<3>,1|C<4>,3|H<1>}	122.7345	0.505	4	122.3820	0.187	32	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<6>,1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru){1|C<3>,1|N<3>,3|H<1>}	122.5956	0.398	5	122.3820	0.187	32	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<6>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru){1|C<3>,4|H<1>}	122.5680	0.334	5	122.3820	0.187	32	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru){2|C<3>,3|H<1>}	122.1096	0.436	11	122.3820	0.187	32	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<8>,1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru){1|C<3>,1|N<3>,3|H<1>}	122.6910	0.000	1	122.3820	0.187	32	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<9>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru){1|C<3>,1|C<4>,3|H<1>}	122.3355	0.032	2	122.3820	0.187	32	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<9>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru){1|C<3>,4|H<1>}	122.0650	0.000	1	122.3820	0.187	32	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<9>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru){2|C<3>,3|H<1>}	122.2783	0.216	3	122.3820	0.187	32	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Si)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Si<4>,1|C<3>,1|S<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Si){1|C<3>,1|S<1>,3|H<1>}	122.2880	0.136	2	122.2880	0.018	2	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Tb)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Tb<15>,1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Tb){1|C<3>,1|N<3>,3|H<1>}	123.2945	0.412	2	122.9723	0.396	3	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Tb)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Tb<15>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Tb){2|C<3>,3|H<1>}	122.3280	0.000	1	122.9723	0.396	3	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Zn<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn){1|C<3>,1|C<4>,3|H<1>}	122.2151	0.395	13	122.2981	0.258	42	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Zn<4>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn){1|C<3>,4|H<1>}	122.3620	0.125	3	122.2981	0.258	42	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Zn<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn){2|C<3>,3|H<1>}	122.4934	0.457	11	122.2981	0.258	42	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Zn<5>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn){2|C<3>,3|H<1>}	122.3677	0.411	3	122.2981	0.258	42	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Zn<6>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn){1|C<3>,1|C<4>,3|H<1>}	121.8407	1.052	4	122.2981	0.258	42	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Zn<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn){2|C<3>,3|H<1>}	122.3430	0.467	8	122.2981	0.258	42	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(N[5]C[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<5>,1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(N[5]C[5]Co){1|C<3>,4|H<1>}	121.0525	0.120	2	121.0525	0.014	2	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(N[5]C[5]H){2|C<3>,3|H<1>}	123.0650	0.000	1	123.0650	0.000	1	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(N[5]C[5]Zn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Zn<5>,1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(N[5]C[5]Zn){1|C<3>,4|H<1>}	121.1750	0.392	2	121.1750	0.153	2	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|S<2>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|S<2>,3|H<1>}	121.9780	0.000	1	122.7147	0.666	3	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	123.0830	0.720	2	122.7147	0.666	3	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,1|S<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|S<1>,3|H<1>}	122.0210	0.153	2	121.9220	0.026	5	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,2|C<4>,3|H<1>}	121.7690	0.000	1	121.9220	0.026	5	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,4|H<1>}	122.0340	0.000	1	121.9220	0.026	5	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,3|H<1>}	121.7650	0.000	1	121.9220	0.026	5	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<2>,1|S<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|S<1>,3|H<1>}	122.3310	0.000	1	122.6010	0.146	2	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Fe<5>,1|C<3>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Fe<5>,1|C<3>,3|H<1>}	122.8710	0.000	1	122.6010	0.146	2	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]S)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,3|H<1>}	122.9640	0.000	1	122.9640	0.000	1	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Hg)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Hg){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Hg<4>,1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Hg<4>,1|C<3>,1|H<1>,2|C<4>}	119.7150	0.000	1	119.7150	0.000	1	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Hg)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Hg){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Hg<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Hg<4>,1|C<3>,3|H<1>}	120.2178	0.747	5	120.3189	0.406	9	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Hg)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Hg){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Hg<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Hg<4>,1|C<3>,1|C<4>,2|H<1>}	120.7083	0.185	3	120.3189	0.406	9	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Hg)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Hg){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Hg<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Hg<4>,2|C<3>,2|H<1>}	119.6560	0.000	1	120.3189	0.406	9	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Hg)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Hg){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Hg<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Hg<4>,1|C<3>,1|C<4>,2|H<1>}	121.4063	1.063	3	120.9973	1.422	4	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Hg)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Hg){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Hg<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Hg<4>,2|C<3>,2|H<1>}	119.7700	0.000	1	120.9973	1.422	4	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ho)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ho){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ho<15>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ho<15>,1|C<3>,1|N<3>,2|H<1>}	119.7015	0.421	2	119.7015	0.177	2	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,2|C<3>,2|H<1>}	121.2130	0.000	1	120.5593	2.430	3	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Ir<8>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<8>,2|C<3>,2|H<1>}	120.2325	2.054	2	120.5593	2.430	3	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Ir<6>,1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ir<6>,1|C<4>,1|H<1>,2|C<3>}	120.7555	0.879	2	120.7555	0.773	2	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ag)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir){1|Ag<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ir<8>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ag){1|Ir<8>,2|C<3>,2|H<1>}	120.9815	0.040	2	120.9815	0.002	2	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,2|C<3>,2|H<1>}	120.8125	0.944	24	120.8125	0.890	24	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ir<6>,2|C<3>,2|H<1>}	120.2897	0.480	6	120.2419	0.333	11	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ir<8>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ir<8>,2|C<3>,2|H<1>}	120.1846	0.732	5	120.2419	0.333	11	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir){1|Ir<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir){1|Ir<6>,2|C<3>,2|H<1>}	121.2321	0.851	8	120.7753	0.883	14	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir){1|Ir<8>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ir<8>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir){1|Ir<8>,2|C<3>,2|H<1>}	120.1662	0.710	6	120.7753	0.883	14	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mn)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mn){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Mn<6>,1|C<3>,1|C<4>,2|H<1>}	120.7737	0.394	14	120.6427	0.203	18	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mn)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mn){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Mn<6>,2|C<3>,2|H<1>}	120.1840	0.343	4	120.6427	0.203	18	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mn)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mn){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Mn<6>,1|C<3>,1|C<4>,2|H<1>}	120.6355	0.576	31	120.4441	0.480	49	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mn)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mn){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Mn<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Mn<5>,1|C<3>,1|N<3>,2|H<1>}	120.6680	0.000	1	120.4441	0.480	49	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mn)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mn){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Mn<6>,1|C<3>,3|H<1>}	120.2727	0.652	3	120.4441	0.480	49	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mn)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mn){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Mn<8>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Mn<8>,1|C<3>,3|H<1>}	120.4980	0.000	1	120.4441	0.480	49	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mn)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mn){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Mn<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Mn<5>,2|C<3>,2|H<1>}	120.8410	0.000	1	120.4441	0.480	49	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mn)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mn){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Mn<6>,2|C<3>,2|H<1>}	119.8658	0.839	11	120.4441	0.480	49	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mn)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mn){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Mn<8>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Mn<8>,2|C<3>,2|H<1>}	120.7120	0.000	1	120.4441	0.480	49	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mo)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mo){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Mo<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Mo<6>,1|C<3>,1|C<4>,2|H<1>}	121.2470	0.000	1	120.9605	0.164	2	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mo)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mo){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Mo<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Mo<6>,2|C<3>,2|H<1>}	120.6740	0.000	1	120.9605	0.164	2	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]N)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]N){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|N<2>}	122.6570	0.000	1	122.4625	0.076	2	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]N)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]N){1|C<3>,1|C<4>,1|S<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,1|S<1>,2|H<1>}	122.2680	0.000	1	122.4625	0.076	2	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Ni<6>,1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ni<6>,1|C<3>,1|C<4>,2|H<1>}	120.1530	0.164	3	120.1038	0.054	5	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Ni<6>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ni<6>,2|C<3>,2|H<1>}	120.0300	0.382	2	120.1038	0.054	5	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ni<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<4>,1|C<3>,3|H<1>}	120.4335	0.187	2	120.6400	0.249	26	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ni<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<4>,1|C<3>,1|C<4>,2|H<1>}	120.4045	0.366	4	120.6400	0.249	26	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<6>,1|C<3>,1|C<4>,2|H<1>}	120.5887	0.463	9	120.6400	0.249	26	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ni<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<5>,2|C<3>,2|H<1>}	121.3027	0.308	3	120.6400	0.249	26	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<6>,2|C<3>,2|H<1>}	120.4208	0.632	5	120.6400	0.249	26	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ni<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<5>,1|Si<4>,1|C<3>,2|H<1>}	120.9487	0.239	3	120.6400	0.249	26	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ni<6>,1|C<3>,1|C<4>,2|H<1>}	120.1553	0.383	23	120.3018	0.530	55	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ni<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ni<4>,1|C<3>,3|H<1>}	121.0050	0.000	1	120.3018	0.530	55	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ni<6>,1|C<3>,3|H<1>}	120.1072	0.585	5	120.3018	0.530	55	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ni<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ni<4>,2|C<3>,2|H<1>}	119.3303	1.518	3	120.3018	0.530	55	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ni<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ni<5>,2|C<3>,2|H<1>}	119.8330	0.000	1	120.3018	0.530	55	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ni<6>,2|C<3>,2|H<1>}	120.5808	0.792	18	120.3018	0.530	55	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ni<7>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ni<7>,2|C<3>,2|H<1>}	120.8017	0.849	4	120.3018	0.530	55	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	122.4697	0.517	12	122.4697	0.268	12	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Os)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Os){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Os<9>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Os<9>,2|C<3>,2|H<1>}	120.9310	0.000	1	120.9310	0.000	1	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Os)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Os){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Os<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Os<6>,1|C<3>,3|H<1>}	120.9095	0.418	2	120.6259	1.182	17	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Os)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Os){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Os<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Os<6>,2|C<3>,2|H<1>}	120.5881	1.151	15	120.6259	1.182	17	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Os)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Os){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Os<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Os<6>,1|C<3>,3|H<1>}	120.3554	0.621	5	120.5459	0.309	9	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Os)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Os){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Os<9>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Os<9>,1|C<3>,3|H<1>}	120.6360	0.000	1	120.5459	0.309	9	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Os)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Os){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Os<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Os<6>,2|C<3>,2|H<1>}	121.3550	0.000	1	120.5459	0.309	9	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Os)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Os){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Os<9>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Os<9>,2|C<3>,2|H<1>}	120.5725	0.298	2	120.5459	0.309	9	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]P)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]P){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|P<3>,2|H<1>}	121.8393	0.194	3	121.8393	0.038	3	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pd)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pd){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|S<2>,2|H<1>}	120.3280	0.351	2	120.7986	0.230	8	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pd)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pd){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,3|H<1>}	120.7413	0.313	3	120.7986	0.230	8	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pd)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pd){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	121.1697	0.461	3	120.7986	0.230	8	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pd)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pd){1|C<3>,1|S<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Pd<4>,1|C<3>,1|S<2>,2|H<1>}	121.0020	0.000	1	121.0020	0.000	1	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pd)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pd)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pd){1|Pd<4>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pd){1|Pd<4>,1|C<3>,3|H<1>}	121.8530	0.803	3	121.8530	0.644	3	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pt)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pt){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Pt<4>,1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pt<4>,1|C<4>,1|H<1>,2|C<3>}	122.5290	0.000	1	122.5290	0.000	1	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pt)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pt){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Pt<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pt<6>,1|C<3>,3|H<1>}	119.8713	0.191	4	120.4579	0.400	9	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pt)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pt){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pt<4>,2|C<3>,2|H<1>}	120.9272	0.390	5	120.4579	0.400	9	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pt)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pt){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Pt<4>,2|C<3>,2|H<1>}	120.7212	0.704	9	120.7212	0.495	9	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pt)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pt)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pt){1|Pt<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pt){1|Pt<4>,2|C<3>,2|H<1>}	120.9765	3.621	2	120.9765	13.112	2	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Re)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Re){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Re<6>,1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Re<6>,1|C<3>,1|C<4>,2|H<1>}	119.4915	0.489	6	119.4915	0.239	6	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Re)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Au)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Re){1|Au<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Au){1|Re<6>,2|C<3>,2|H<1>}	120.7420	0.000	1	120.7420	0.000	1	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Re)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Re){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Re<6>,1|C<3>,1|S<2>,2|H<1>}	120.5350	0.360	4	120.5415	0.566	31	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Re)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Re){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Re<6>,1|C<3>,3|H<1>}	120.5906	0.716	17	120.5415	0.566	31	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Re)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Re){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Re<6>,1|C<3>,1|C<4>,2|H<1>}	120.9043	0.327	4	120.5415	0.566	31	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Re)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Re){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Re<6>,2|C<3>,2|H<1>}	120.1645	1.152	6	120.5415	0.566	31	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Re)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Re){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Re<6>,2|C<3>,2|H<1>}	120.6940	0.000	1	120.6940	0.000	1	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Re)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Re)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Re){1|Re<6>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Re){1|Re<6>,1|C<3>,3|H<1>}	120.8976	0.692	23	120.8461	0.365	35	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Re)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Re)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Re){1|Re<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Re){1|Re<6>,2|C<3>,2|H<1>}	120.7474	0.392	12	120.8461	0.365	35	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Rh)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Rh){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Rh<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Rh<6>,1|C<3>,1|C<4>,2|H<1>}	120.4820	0.000	1	121.0955	0.753	2	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Rh)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Rh){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Rh<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Rh<6>,2|C<3>,2|H<1>}	121.7090	0.000	1	121.0955	0.753	2	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Rh)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Rh){1|C<3>,1|S<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Rh<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Rh<6>,1|C<3>,1|S<3>,2|H<1>}	120.6360	0.000	1	120.6360	0.000	1	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Rh)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Rh)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Rh){1|Rh<4>,1|C<3>,1|S<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Rh<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Rh){1|Rh<4>,1|C<3>,1|S<3>,2|H<1>}	121.1178	0.218	4	120.9266	0.292	12	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Rh)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Rh)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Rh){1|Rh<8>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Rh<8>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Rh){1|Rh<8>,2|C<3>,2|H<1>}	120.8310	0.638	8	120.9266	0.292	12	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Ru<6>,1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<6>,1|C<3>,1|C<4>,2|H<1>}	119.7120	0.000	1	120.0550	0.589	5	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Ru<9>,1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<9>,1|C<3>,1|C<4>,2|H<1>}	119.7220	0.228	3	120.0550	0.589	5	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Ru<9>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<9>,2|C<3>,2|H<1>}	121.3970	0.000	1	120.0550	0.589	5	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Ru<6>,1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<6>,1|C<3>,1|C<4>,2|H<1>}	119.7440	0.000	1	119.7440	0.000	1	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<6>,1|C<3>,3|H<1>}	120.9390	0.000	1	120.4414	0.292	5	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ru<9>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<9>,1|C<3>,3|H<1>}	120.0960	0.369	3	120.4414	0.292	5	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ru<9>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<9>,2|C<3>,2|H<1>}	120.9800	0.000	1	120.4414	0.292	5	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<6>,1|C<3>,1|C<4>,2|H<1>}	119.3888	1.030	4	120.1582	0.536	32	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ru<9>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<9>,1|C<3>,1|C<4>,2|H<1>}	120.6380	0.102	2	120.1582	0.536	32	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<6>,1|C<3>,1|N<3>,2|H<1>}	119.6800	0.746	6	120.1582	0.536	32	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<6>,1|C<3>,3|H<1>}	120.2564	0.223	5	120.1582	0.536	32	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ru<9>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<9>,1|C<3>,3|H<1>}	119.9890	0.000	1	120.1582	0.536	32	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<6>,2|C<3>,2|H<1>}	120.4046	0.626	11	120.1582	0.536	32	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ru<9>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<9>,2|C<3>,2|H<1>}	120.8100	0.389	3	120.1582	0.536	32	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,1|S<4>,2|H<1>}	121.0390	0.000	1	121.0390	0.000	1	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]S){1|S<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|S<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]S){1|S<4>,2|C<3>,3|H<1>}	121.5350	0.013	2	121.5350	0.000	2	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Si)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Si){1|C<3>,1|S<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Si<4>,1|C<3>,1|S<1>,2|H<1>}	119.8695	0.648	2	119.8695	0.420	2	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Si)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Si)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Si){1|Si<4>,1|C<3>,1|S<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Si){1|Si<4>,1|C<3>,1|S<1>,2|H<1>}	120.5265	0.060	2	120.5265	0.004	2	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Sn)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Sn){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Sn<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Sn<4>,2|C<3>,2|H<1>}	121.2480	0.122	2	121.2480	0.015	2	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Tb)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Tb){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Tb<15>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Tb<15>,1|C<3>,1|N<3>,2|H<1>}	120.1100	0.472	2	120.1947	0.133	3	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Tb)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Tb){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Tb<15>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Tb<15>,2|C<3>,2|H<1>}	120.3640	0.000	1	120.1947	0.133	3	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Te)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Te){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Te<3>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Te<3>,2|C<3>,2|H<1>}	121.2915	0.312	2	121.2915	0.097	2	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Yb)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Yb)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Yb){1|Yb<14>,1|C<3>,1|S<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Yb<14>,1|C<3>,1|C<5>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Yb){1|Yb<14>,1|C<3>,1|S<3>,2|H<1>}	120.7425	0.419	2	120.7425	0.176	2	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Zn<5>,1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Zn<5>,1|C<4>,1|H<1>,2|C<3>}	120.0730	0.000	1	120.0730	0.000	1	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Zn<4>,1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Zn<4>,1|C<3>,1|H<1>,2|C<4>}	120.3610	0.000	1	120.3610	0.000	1	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Zn<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Zn<4>,1|C<3>,3|H<1>}	120.9078	0.248	6	120.8808	0.290	39	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Zn<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Zn<5>,1|C<3>,3|H<1>}	120.3790	0.000	1	120.8808	0.290	39	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Zn<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Zn<4>,1|C<3>,1|C<4>,2|H<1>}	120.6505	0.705	4	120.8808	0.290	39	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Zn<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Zn<4>,2|C<3>,2|H<1>}	121.0932	0.434	5	120.8808	0.290	39	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Zn<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Zn<5>,2|C<3>,2|H<1>}	120.5355	0.832	2	120.8808	0.290	39	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Zn<6>,2|C<3>,2|H<1>}	120.4382	0.340	9	120.8808	0.290	39	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Zn<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Si<4>,1|Zn<4>,1|C<3>,2|H<1>}	121.2870	0.446	12	120.8808	0.290	39	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Zn<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Zn<4>,1|C<3>,1|C<4>,2|H<1>}	120.4578	0.479	13	120.5613	0.347	42	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Zn<6>,1|C<3>,1|C<4>,2|H<1>}	120.6407	1.292	4	120.5613	0.347	42	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Zn<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Zn<4>,1|C<3>,3|H<1>}	120.9040	0.072	3	120.5613	0.347	42	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Zn<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Zn<4>,2|C<3>,2|H<1>}	120.7430	0.641	11	120.5613	0.347	42	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Zn<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Zn<5>,2|C<3>,2|H<1>}	120.2263	0.060	3	120.5613	0.347	42	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Zn<6>,2|C<3>,2|H<1>}	120.4370	0.378	8	120.5613	0.347	42	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ge<2>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C){1|C<3>,1|C<4>,2|H<1>}	119.6053	0.508	6	119.5140	0.645	20	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C){1|Cl<1>,1|Rh<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ge<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C){1|Cl<1>,1|Rh<4>,1|C<3>,1|C<4>,2|H<1>}	119.2825	0.141	2	119.5140	0.645	20	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C){1|Cl<1>,1|Rh<6>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ge<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C){1|Cl<1>,1|Rh<6>,1|C<3>,1|C<4>,2|H<1>}	119.7770	0.953	2	119.5140	0.645	20	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C){2|Co<5>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ge<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C){2|Co<5>,1|C<3>,1|C<4>,2|H<1>}	118.6275	2.167	2	119.5140	0.645	20	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C){2|Ru<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ge<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C){2|Ru<4>,1|C<3>,1|C<4>,2|H<1>}	119.6155	0.648	2	119.5140	0.645	20	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C){2|Ru<5>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ge<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C){2|Ru<5>,1|C<3>,1|C<4>,2|H<1>}	119.6740	0.759	6	119.5140	0.645	20	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C){1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ge<2>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]H){1|C<3>,1|C<4>,2|H<1>}	118.1020	0.321	8	118.1020	0.103	8	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ge<2>,1|C<3>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C){1|C<3>,3|H<1>}	121.1600	0.310	8	121.1600	0.096	8	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]B)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]B){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){1|B<4>,1|C<3>,2|H<1>}	121.3630	0.000	1	121.3630	0.000	1	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]B)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){1|B<4>,1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]B){1|C<3>,1|C<4>,2|H<1>}	122.2860	0.000	1	122.2860	0.000	1	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){1|C<3>,1|C<4>,2|H<1>}	122.4101	1.143	12	122.2757	1.443	16	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Ni<5>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Ni<5>,1|C<3>,1|C<4>,2|H<1>}	121.8725	1.463	4	122.2757	1.443	16	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Co<6>,1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Co){1|C<3>,1|C<4>,2|H<1>}	122.7670	0.000	1	122.7670	0.000	1	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Cu<4>,1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Cu){1|C<3>,1|C<4>,2|H<1>}	122.8570	0.644	3	123.0808	0.328	5	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){2|Cu<4>,1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Cu){1|Cu<4>,1|C<3>,1|C<4>,2|H<1>}	123.6490	0.000	1	123.0808	0.328	5	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){2|Cu<5>,1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Cu){1|Cu<5>,1|C<3>,1|C<4>,2|H<1>}	123.1840	0.000	1	123.0808	0.328	5	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H){1|C<3>,1|C<4>,2|H<1>}	122.6930	0.000	1	122.6930	0.000	1	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Ni)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Ni<6>,1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Ni){1|C<3>,1|C<4>,2|H<1>}	122.6920	0.000	1	122.6920	0.000	1	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]O){1|C<3>,1|C<4>,2|H<1>}	121.2177	0.851	3	120.8245	0.493	8	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]O){2|C<3>,2|H<1>}	120.5886	0.561	5	120.8245	0.493	8	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Zn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Zn<4>,1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Zn){1|C<3>,1|C<4>,2|H<1>}	122.5170	0.151	4	122.5170	0.023	4	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Co)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Co){1|Co<4>,1|Co<6>,1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Co<4>,1|C<3>,1|C<4>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Co){1|Co<4>,1|Co<6>,1|C<3>,1|C<4>,1|H<1>}	121.5270	0.000	1	121.1100	0.130	4	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Co)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Co){2|Co<6>,1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Co<6>,1|C<3>,1|C<4>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Co){2|Co<6>,1|C<3>,1|C<4>,1|H<1>}	120.9710	0.280	3	121.1100	0.130	4	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Co)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Co){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Co<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Co<6>,1|C<3>,2|H<1>}	120.9140	0.000	1	120.9140	0.000	1	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Co)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Co){1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Co<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Co<4>,1|C<3>,2|H<1>}	121.0625	0.336	4	121.2688	0.298	5	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Co)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Co){1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Co<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Co<6>,1|C<3>,2|H<1>}	122.0940	0.000	1	121.2688	0.298	5	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Cu)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Cu){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cu<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Cu<4>,1|C<3>,2|H<1>}	120.6337	0.937	3	120.3916	0.779	5	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Cu)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Cu){1|Cu<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cu<4>,1|C<3>,1|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){2|Cu<4>,1|C<3>,2|H<1>}	119.3510	0.000	1	120.3916	0.779	5	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Cu)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Cu){1|Cu<5>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cu<5>,1|C<3>,1|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){2|Cu<5>,1|C<3>,2|H<1>}	120.7060	0.000	1	120.3916	0.779	5	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){1|C<3>,3|H<1>}	121.7900	0.000	1	121.7900	0.000	1	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Co<4>,1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Co){1|C<3>,3|H<1>}	121.9895	0.308	4	121.8542	0.163	5	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Co<6>,1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Co){1|C<3>,3|H<1>}	121.3130	0.000	1	121.8542	0.163	5	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H){1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H){1|C<3>,3|H<1>}	121.9293	0.523	35	121.9293	0.274	35	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Ni)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Ni<6>,1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Ni){1|C<3>,3|H<1>}	122.2797	0.528	3	122.2797	0.279	3	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H){1|C<3>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]O){1|C<3>,3|H<1>}	121.5330	0.000	1	121.5330	0.000	1	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Zn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Zn<4>,1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Zn){1|C<3>,3|H<1>}	122.3580	0.583	4	122.3580	0.340	4	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Ni)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Ni){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ni<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Ni<6>,1|C<3>,2|H<1>}	120.7450	0.000	1	120.7450	0.000	1	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Ni)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Ni){1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ni<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Ni<6>,1|C<3>,2|H<1>}	121.1740	0.382	3	121.1740	0.146	3	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]O){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){1|C<3>,1|O<1>,2|H<1>}	122.8533	0.591	3	123.5041	0.568	8	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]O){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){1|C<3>,1|O<1>,2|H<1>}	123.8946	0.557	5	123.5041	0.568	8	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]O){1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H){1|C<3>,1|O<2>,2|H<1>}	122.8250	0.000	1	122.8250	0.000	1	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Re)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Re)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Re){1|Re<6>,1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Re<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Re){1|Re<6>,1|C<3>,2|H<1>}	121.8190	0.902	5	121.8190	0.814	5	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Zn)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Zn){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Zn<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Zn<4>,1|C<3>,2|H<1>}	121.0985	0.254	4	121.0985	0.065	4	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Zn)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Zn){1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Zn<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Zn<4>,1|C<3>,2|H<1>}	121.2182	0.440	4	121.2182	0.194	4	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]P[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]P[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]P[5]C){1|Se<1>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|P<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]P[5]C){1|Se<1>,1|C<4>,2|C<3>,2|H<1>}	120.7660	0.981	2	120.7660	0.963	2	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]P[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]P[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]P[5]H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|P<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]P[5]H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	120.7265	0.039	2	121.0852	0.498	6	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]P[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]P[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]P[5]H){1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|P<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]P[5]H){1|C<3>,3|H<1>}	121.2645	0.837	4	121.0852	0.498	6	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5]C){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5]C){1|O<1>,2|C<3>,2|H<1>}	121.0355	0.062	2	121.0355	0.004	2	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]S[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5]H){1|C<2>,1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]S[5]H){1|C<3>,3|H<1>}	120.7340	0.000	1	120.7340	0.000	1	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]B)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]B)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]B){1|B<4>,1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Se<2>,1|B<4>,1|C<3>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]B){1|B<4>,1|C<3>,2|H<1>}	120.5640	0.000	1	120.5640	0.000	1	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Br<1>,1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Br<1>,1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	119.8358	0.457	4	119.7340	0.164	48	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|C<4>,2|C<3>,3|H<1>}	120.1590	0.249	2	119.7340	0.164	48	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Cl<1>,1|Rh<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Cl<1>,1|Rh<4>,1|C<3>,1|C<4>,2|H<1>}	119.9475	0.216	2	119.7340	0.164	48	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Cl<1>,1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Cl<1>,1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	119.7988	0.137	4	119.7340	0.164	48	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Co<5>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Co<5>,1|C<3>,2|C<4>,2|H<1>}	119.8227	0.429	10	119.7340	0.164	48	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Co<6>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Co<6>,1|C<3>,2|C<4>,2|H<1>}	119.9870	0.280	2	119.7340	0.164	48	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Li<4>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Li<4>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	119.2175	0.272	6	119.7340	0.164	48	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Li<4>,1|Si<4>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Si<5>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Li<4>,1|Si<4>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	119.2630	0.246	2	119.7340	0.164	48	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Rh<6>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Rh<6>,1|C<4>,2|C<3>,2|H<1>}	119.8837	0.430	6	119.7340	0.164	48	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	119.8082	0.114	6	119.7340	0.164	48	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){2|Pd<4>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Si<5>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){2|Pd<4>,1|C<4>,2|C<3>,2|H<1>}	119.5743	0.497	4	119.7340	0.164	48	121.4775	0.929	3760	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5]Cu)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<4>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5]Cu){1|C<3>,1|C<4>,3|H<1>}	121.0892	0.256	5	121.0892	0.066	5	121.2331	0.199	8	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5]Hg)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Hg<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5]Hg){1|C<4>,2|C<3>,2|H<1>}	122.0690	0.000	1	122.0690	0.000	1	121.2331	0.199	8	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5]Mo)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Mo<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5]Mo){1|C<4>,2|C<3>,2|H<1>}	120.7740	0.000	1	120.7740	0.000	1	121.2331	0.199	8	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]Yb)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5]B)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]Yb){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Yb<15>,1|C<3>,1|C<4>,1|H<1>,1|P<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5]B){1|Yb<15>,1|C<3>,1|C<4>,2|H<1>}	121.5760	0.000	1	121.5760	0.000	1	121.2331	0.199	8	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]B[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]B[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	122.3657	0.817	3	122.2182	0.532	4	121.1146	1.372	10	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]B[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|B<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]B[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	121.7760	0.000	1	122.2182	0.532	4	121.1146	1.372	10	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	120.1290	0.000	1	120.6255	0.493	2	121.1146	1.372	10	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|Se<2>,1|C<4>,1|H<1>,2|C<3>,2|N<2>}	121.1220	0.000	1	120.6255	0.493	2	121.1146	1.372	10	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.0240	0.000	1	121.0240	0.000	1	121.1146	1.372	10	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	120.7680	0.000	1	119.9993	0.584	3	121.1146	1.372	10	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	119.6150	0.530	2	119.9993	0.584	3	121.1146	1.372	10	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|S<2>,2|C<3>,3|H<1>}	122.2270	0.000	1	121.2403	0.581	4	121.4187	1.005	14	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	120.5280	0.000	1	121.2403	0.581	4	121.4187	1.005	14	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	121.1030	0.475	2	121.2403	0.581	4	121.4187	1.005	14	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]S[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|N<2>,1|S<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]S[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|O<1>,3|C<3>}	121.1610	0.000	1	121.1610	0.000	1	121.4187	1.005	14	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|B<4>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|F<1>,3|H<1>}	121.6140	0.000	1	121.9675	0.250	2	121.4187	1.005	14	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|B<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|F<1>,3|H<1>}	122.3210	0.000	1	121.9675	0.250	2	121.4187	1.005	14	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<2>,3|C<3>,4|H<1>}	119.0590	0.000	1	121.3030	1.975	6	121.4187	1.005	14	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	122.9420	0.000	1	121.3030	1.975	6	121.4187	1.005	14	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	121.8560	0.249	3	121.3030	1.975	6	121.4187	1.005	14	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	120.2490	0.000	1	121.3030	1.975	6	121.4187	1.005	14	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|S<4>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	121.9870	0.000	1	121.9870	0.000	1	121.4187	1.005	14	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Ir<6>,1|C<3>,2|H<1>,4|C<4>}	121.0127	0.632	3	121.0127	0.399	3	121.6188	1.102	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<8>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ir<8>,1|H<1>,2|C<4>,3|C<3>}	120.1155	0.159	2	120.8009	1.135	7	121.6188	1.102	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Os<6>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Os<6>,1|H<1>,2|C<4>,3|C<3>}	122.3130	0.000	1	120.8009	1.135	7	121.6188	1.102	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Os<8>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Os<8>,1|H<1>,2|C<4>,3|C<3>}	122.1450	0.000	1	120.8009	1.135	7	121.6188	1.102	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<9>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ru<9>,1|H<1>,2|C<4>,3|C<3>}	120.3057	0.712	3	120.8009	1.135	7	121.6188	1.102	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[3x6]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[3x6]C[5])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	122.2510	0.000	1	121.8780	0.278	2	121.6188	1.102	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[3x6]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[3x6]C[5])(C[6a]C[6a]H){1|Pd<4>,1|C<3>,2|H<1>,4|C<4>}	121.5050	0.000	1	121.8780	0.278	2	121.6188	1.102	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|S<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|C<3>,1|S<1>,3|C<4>,3|H<1>}	122.3805	0.185	2	122.3345	0.628	39	121.6188	1.102	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	122.9490	0.448	8	122.3345	0.628	39	121.6188	1.102	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	122.0925	0.183	2	122.3345	0.628	39	121.6188	1.102	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Fe<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Fe<6>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.3617	0.617	3	122.3345	0.628	39	121.6188	1.102	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Ir<6>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	123.2147	0.573	3	122.3345	0.628	39	121.6188	1.102	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Mn<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Mn<6>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	121.7790	0.000	1	122.3345	0.628	39	121.6188	1.102	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Mn<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Mn<6>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	122.2030	0.000	1	122.3345	0.628	39	121.6188	1.102	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Ni<6>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	122.0485	0.053	2	122.3345	0.628	39	121.6188	1.102	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Pd<4>,1|C<3>,3|C<4>,3|H<1>}	122.1320	2.406	2	122.3345	0.628	39	121.6188	1.102	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Pd<4>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	121.9055	0.209	2	122.3345	0.628	39	121.6188	1.102	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Pd<4>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	123.4010	0.000	1	122.3345	0.628	39	121.6188	1.102	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Pd<6>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.5290	0.373	4	122.3345	0.628	39	121.6188	1.102	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Re<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Re<6>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	121.5290	0.000	1	122.3345	0.628	39	121.6188	1.102	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Re<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Re<6>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	122.7970	0.132	3	122.3345	0.628	39	121.6188	1.102	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Ru<6>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	122.2970	0.368	4	122.3345	0.628	39	121.6188	1.102	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]N[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	121.6050	0.000	1	121.5175	0.015	2	121.6188	1.102	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]N[5])(C[6a]C[6a]H){1|Pd<4>,1|C<4>,2|H<1>,3|C<3>}	121.4300	0.000	1	121.5175	0.015	2	121.6188	1.102	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<9>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5a]C[5])(C[6a]C[6a]H){1|Ru<9>,1|C<4>,1|S<2>,2|C<3>,2|H<1>}	121.5355	0.071	2	121.4803	0.012	3	121.6188	1.102	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<9>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5a]C[5])(C[6a]C[6a]H){1|Ru<9>,1|C<4>,2|H<1>,3|C<3>}	121.3700	0.000	1	121.4803	0.012	3	121.6188	1.102	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6,6]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Rh<6>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6,6]C[5])(C[6a]C[6a]H){1|Rh<6>,1|C<3>,3|C<4>,3|H<1>}	122.3505	0.974	2	122.3505	0.948	2	121.6188	1.102	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Fe<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Fe<4>,1|C<4>,2|H<1>,3|C<3>}	121.5417	0.340	9	121.8558	0.709	85	121.6188	1.102	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Fe<8>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Fe<8>,1|C<4>,2|H<1>,3|C<3>}	121.2180	0.247	3	121.8558	0.709	85	121.6188	1.102	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ir<6>,1|C<4>,2|H<1>,3|C<3>}	122.4393	0.640	22	121.8558	0.709	85	121.6188	1.102	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<8>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ir<8>,1|C<4>,2|H<1>,3|C<3>}	122.2670	0.000	1	121.8558	0.709	85	121.6188	1.102	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Os<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Os<6>,1|C<4>,2|H<1>,3|C<3>}	122.2529	0.541	7	121.8558	0.709	85	121.6188	1.102	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Os<7>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Os<7>,1|C<4>,2|H<1>,3|C<3>}	122.0590	0.223	5	121.8558	0.709	85	121.6188	1.102	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Pd<4>,1|C<4>,2|H<1>,3|C<3>}	121.1876	1.215	14	121.8558	0.709	85	121.6188	1.102	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<5>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Pd<5>,1|C<4>,2|H<1>,3|C<3>}	120.1230	0.000	1	121.8558	0.709	85	121.6188	1.102	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<7>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Pd<7>,1|C<4>,2|H<1>,3|C<3>}	121.5130	0.000	1	121.8558	0.709	85	121.6188	1.102	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Rh<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Rh<6>,1|C<4>,2|H<1>,3|C<3>}	121.0167	0.441	3	121.8558	0.709	85	121.6188	1.102	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<9>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ru<9>,1|C<4>,2|H<1>,3|C<3>}	121.8490	0.000	1	121.8558	0.709	85	121.6188	1.102	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Se<1>,1|C<4>,2|H<1>,3|C<3>}	121.1333	0.425	4	121.8558	0.709	85	121.6188	1.102	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|N<2>,3|H<1>}	122.5005	0.101	2	121.8558	0.709	85	121.6188	1.102	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	122.3447	0.404	6	121.8558	0.709	85	121.6188	1.102	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	121.8843	0.137	4	121.8558	0.709	85	121.6188	1.102	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	122.0020	0.000	1	121.8558	0.709	85	121.6188	1.102	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	121.9190	0.000	1	121.8558	0.709	85	121.6188	1.102	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Cu<4>,2|H<1>,4|C<3>}	120.8570	0.000	1	120.8570	0.000	1	121.6188	1.102	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<8>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Ru<8>,1|N<3>,2|C<3>,3|H<1>}	122.6363	0.218	3	122.6363	0.048	3	121.6188	1.102	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	121.3700	0.000	1	121.3700	0.000	1	121.6188	1.102	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]In[5]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|In<5>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]In[5]C[5])(C[6a]C[6a]H){2|Cl<1>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	122.7180	0.250	2	122.7180	0.063	2	121.6188	1.102	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ir<8>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5a]C[5])(C[6a]C[6a]H){1|Ir<8>,1|N<2>,2|C<3>,3|H<1>}	120.5710	0.000	1	120.5710	0.000	1	121.6188	1.102	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ir<6>,2|H<1>,4|C<3>}	120.4731	0.693	18	120.4731	0.480	18	121.6188	1.102	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pd)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pd){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Pd<4>,2|H<1>,4|C<3>}	120.4630	0.000	1	120.4630	0.000	1	121.6188	1.102	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pt)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pt){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Pt<4>,2|H<1>,4|C<3>}	120.3678	0.943	12	120.3678	0.890	12	121.6188	1.102	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Re)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Re){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Re<6>,2|H<1>,4|C<3>}	120.5100	1.044	2	120.5100	1.089	2	121.6188	1.102	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ru<9>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ru<9>,1|C<4>,1|N<2>,2|C<3>,2|H<1>}	121.3690	0.000	1	120.1030	3.206	2	121.6188	1.102	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ru<6>,2|H<1>,4|C<3>}	118.8370	0.000	1	120.1030	3.206	2	121.6188	1.102	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Zn<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Zn<5>,2|H<1>,4|C<3>}	120.6175	0.610	2	120.6175	0.372	2	121.6188	1.102	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]P[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]P[5]C){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|P<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]P[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	120.4670	0.000	1	120.4670	0.000	1	121.6188	1.102	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]P[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]P[5]H){1|Se<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|P<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]P[5])(C[6a]C[6a]H){1|Se<1>,3|H<1>,4|C<3>}	121.7350	0.000	1	121.7350	0.000	1	121.6188	1.102	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[6a]-3:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	121.7440	0.000	1	121.7440	0.000	1	121.7440	0.000	1	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5]C[5,6a]C[3x5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]S){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|S<4>}	C[5,6a](N[5,5]C[5,6a]C[3x5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|S<4>,2|H<1>,3|C<3>}	121.3280	0.000	1	121.3280	0.000	1	121.0963	0.626	27	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|B<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](N[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|B<4>,1|C<4>,2|H<1>,3|C<3>}	122.5600	0.000	1	122.5600	0.000	1	121.0963	0.626	27	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5]Ga[5,5]C[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|Ga<5>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](N[5,5]Ga[5,5]C[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|Cl<1>,1|C<4>,2|C<3>,2|H<1>,2|N<3>}	122.4280	0.207	4	122.4280	0.043	4	121.0963	0.626	27	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|B<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](N[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	121.7870	0.000	1	121.7870	0.000	1	121.0963	0.626	27	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|P<4>}	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	120.3660	0.018	2	120.7107	0.179	20	121.0963	0.626	27	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|P<5>}	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,3|C<3>,3|H<1>}	120.9510	0.065	2	120.7107	0.179	20	121.0963	0.626	27	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|P<5>}	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	120.8132	0.273	6	120.7107	0.179	20	121.0963	0.626	27	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|P<3>}	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	120.2995	0.366	2	120.7107	0.179	20	121.0963	0.626	27	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C){1|Se<1>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|P<4>}	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Se<1>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	120.1440	0.471	2	120.7107	0.179	20	121.0963	0.626	27	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C){2|C<3>,2|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|P<5>}	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	120.8690	0.482	4	120.7107	0.179	20	121.0963	0.626	27	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C){2|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|P<5>}	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|Cl<1>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	121.1690	0.222	2	120.7107	0.179	20	121.0963	0.626	27	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]C[3x6]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](N[5,6]C[3x6]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	121.4385	0.295	8	121.4385	0.087	8	121.5914	0.287	9	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5,6a](N[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	122.8150	0.000	1	122.8150	0.000	1	121.5914	0.287	9	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:I-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]I)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(I)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]I)(N[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(I){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|I<1>,1|O<1>,2|H<1>}	120.8570	0.000	1	120.8570	0.000	1	120.8570	0.000	1	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:N[6a]-3:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|C<3>,1|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	122.5763	0.676	4	122.6473	0.293	6	122.2390	0.815	26	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:N[6a]-3:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|Pt<4>,1|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C){1|Pt<4>,1|C<4>,1|N<3>,2|O<1>}	122.6600	0.000	1	122.6473	0.293	6	122.2390	0.815	26	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:N[6a]-3:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|Rh<6>,1|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C){1|Rh<6>,1|C<4>,1|N<3>,2|O<1>}	122.9190	0.000	1	122.6473	0.293	6	122.2390	0.815	26	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:N[6a]-3:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]Cu)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|Cu<5>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]Cu){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	124.2680	1.687	2	124.2680	2.846	2	122.2390	0.815	26	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:N[6a]-3:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]H){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	122.0087	0.113	3	122.0087	0.013	3	122.2390	0.815	26	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:N[6a]-3:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]H){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	121.2685	0.200	2	121.2685	0.040	2	122.2390	0.815	26	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:N[6a]-3:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]H){1|N<3>,2|H<1>,2|O<1>}	122.2430	0.490	7	122.2430	0.240	7	122.2390	0.815	26	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:N[6a]-3:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]H)(N[5]C[5]H){1|N<3>,2|H<1>,2|O<1>}	121.3863	0.498	3	121.5410	0.171	5	122.2390	0.815	26	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:N[6a]-3:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,3|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,2|N<3>}	121.7730	0.098	2	121.5410	0.171	5	122.2390	0.815	26	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:N[6a]-3:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Ru)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Ru){1|C<3>,1|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O){1|Ru<6>,1|C<3>,1|O<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C){1|Ru<6>,1|H<1>,1|N<3>,2|O<1>}	121.8260	0.000	1	121.8260	0.000	1	122.2390	0.815	26	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5a,6a]-3:C[5,6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]Cl)(N[5]C[5]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]N[5])(Cl)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(C[5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]Cl)(N[5]C[5]C){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]N[5])(Cl){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(C[5]C[5]2){1|Cl<1>,1|C<4>,1|O<1>,1|S<2>,3|C<3>}	122.0910	0.000	1	122.0910	0.000	1	122.0910	0.000	1	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(N[5]C[5]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(N[5]C[5]C){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]N[5])(H){1|C<4>,1|N<3>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	122.4030	0.000	1	122.4030	0.000	1	122.4030	0.000	1	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(H){2|C<4>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	123.3643	0.369	7	123.2436	0.131	14	123.0828	0.459	18	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]C){1|Fe<8>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(H){2|C<4>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]C){1|Fe<8>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	123.0530	0.000	1	123.2436	0.131	14	123.0828	0.459	18	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]C){1|Pt<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(H){2|C<4>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]C){1|Pt<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	123.1347	0.366	6	123.2436	0.131	14	123.0828	0.459	18	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]Co)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]Co){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(H){1|Co<4>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]H){1|Co<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	121.4860	0.109	2	121.4860	0.012	2	123.0828	0.459	18	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]H){1|Co<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]Co){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	123.5540	0.434	2	123.5540	0.188	2	123.0828	0.459	18	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]Re)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]C){1|Re<6>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]Re){1|C<4>,2|C<3>,2|H<1>}	123.6736	1.849	8	123.6736	3.417	8	121.7176	3.396	49	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[6a]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]C){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[6a]C[5]){1|C<4>,2|H<1>,4|C<3>}	122.7980	0.000	1	122.7980	0.000	1	121.7176	3.396	49	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]C){1|Ir<6>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]N[5])(H){1|C<4>,1|N<2>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]C){1|Ir<6>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	122.1750	0.363	4	122.1750	0.132	4	121.7176	3.396	49	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]Cr)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]Cr){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(H){1|Cr<6>,1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]H){1|Cr<6>,1|C<4>,1|H<1>,2|C<3>}	120.6720	0.000	1	120.6720	0.000	1	121.7176	3.396	49	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]Cr)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]H){1|Cr<6>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(H){1|N<3>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]Cr){1|C<4>,2|C<3>,2|H<1>}	122.7990	0.000	1	122.7990	0.000	1	121.7176	3.396	49	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]Pd)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]Pd)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]Pd){1|Pd<4>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(H){1|Pd<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]Pd){1|Pd<4>,2|C<3>,2|H<1>}	121.6358	2.259	12	121.6358	5.101	12	121.7176	3.396	49	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]Re)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]Re){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(H){1|Re<6>,1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]C){1|Re<6>,2|C<3>,2|H<1>}	120.4875	1.267	8	120.4875	1.606	8	121.7176	3.396	49	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]Re)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]Re)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]Re){1|Re<6>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(H){1|Re<6>,1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]Re){1|Re<6>,2|C<3>,2|H<1>}	121.1075	1.376	11	121.1075	1.892	11	121.7176	3.396	49	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[6a]C[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[6a]C[5]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(H){1|H<1>,1|N<3>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]C){2|H<1>,3|C<3>}	122.1330	0.000	1	122.1330	0.000	1	121.7176	3.396	49	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]P[5]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]P[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]P[5]H){2|C<3>,2|H<1>,2|S<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(H){1|N<3>,1|P<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]P[5]H){2|C<3>,2|H<1>,2|S<1>}	120.9790	0.023	2	120.9790	0.001	2	121.7176	3.396	49	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a,6a]H)(N[5]C[5,6]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]S[6])(C[6a]C[6a,6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a,6a]H)(N[5]C[5,6]C){1|H<1>,1|N<2>,1|S<4>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(H){1|C<4>,1|N<3>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]S[6])(C[6a]C[6a,6a]H){1|C<4>,1|H<1>,1|N<2>,2|O<1>,3|C<3>}	121.5710	0.000	1	121.5710	0.000	1	121.5710	0.000	1	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:P[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]C[5]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]C[5]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	120.3980	0.000	1	120.3980	0.000	1	120.3980	0.000	1	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:P[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5]B)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]Yb)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5]B){1|Yb<15>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]Yb){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	118.8850	0.000	1	118.8850	0.000	1	119.0564	0.143	8	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:P[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5]Cu)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5]Cu){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<4>,1|C<3>,3|H<1>}	119.1336	0.208	5	119.1336	0.043	5	119.0564	0.143	8	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:P[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5]Hg)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5]Hg){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]C)(H){1|Hg<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Hg<4>,2|C<3>,2|H<1>}	118.3370	0.000	1	118.3370	0.000	1	119.0564	0.143	8	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:P[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5]Mo)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5]Mo){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]C)(H){1|Mo<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Mo<6>,2|C<3>,2|H<1>}	119.5610	0.000	1	119.5610	0.000	1	119.0564	0.143	8	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:P[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(P[5]P[5]C)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(P[5]P[5]C)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(P[5]P[5]C){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|P<3>,1|P<4>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(P[5]P[5]C){1|C<4>,2|H<1>,3|C<3>}	119.0870	0.257	2	119.0870	0.066	2	119.0870	0.066	2	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]O)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]O){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	123.3850	0.000	1	123.3850	0.000	1	123.3850	0.000	1	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]C)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]B)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]C){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]B){1|C<3>,2|C<4>,2|H<1>}	124.2540	0.000	1	124.2540	0.000	1	122.4099	0.763	14	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]Cu)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]Cu){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|Cu<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Cu<4>,2|C<3>,2|H<1>}	122.5490	0.000	1	122.5490	0.000	1	122.4099	0.763	14	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]O)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]O){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	121.9930	0.000	1	121.9930	0.000	1	122.4099	0.763	14	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]O)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]Cl)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]O){2|Cl<1>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]Cl)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	123.3987	0.282	3	123.3987	0.080	3	122.4099	0.763	14	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]O)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	121.8860	0.000	1	121.8077	0.098	7	122.4099	0.763	14	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]O)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	121.7947	0.341	6	121.8077	0.098	7	122.4099	0.763	14	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]Rh)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]Rh){1|C<3>,1|P<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|Rh<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Rh<4>,1|C<3>,1|P<4>,2|H<1>}	122.0930	0.000	1	122.0930	0.000	1	122.4099	0.763	14	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[3,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[3,5]C[3,5]C[3])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[3,5]C[6a])(C[5]C[3,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[3,5]C[3,5]C[3])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[3,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]N[3,5]C[6a])(C[5]C[3,5]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	121.5440	0.000	1	121.5440	0.000	1	121.5440	0.000	1	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[3x5]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[3x5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[3x5]O[5])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[3x5]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.8090	0.000	1	122.8090	0.000	1	121.5991	1.147	19	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	120.2390	0.102	2	120.2390	0.010	2	121.5991	1.147	19	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	122.4910	0.179	4	122.4910	0.032	4	121.5991	1.147	19	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.2542	0.350	4	120.9645	0.724	8	121.5991	1.147	19	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.9770	0.000	1	120.9645	0.724	8	121.5991	1.147	19	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|P<4>,2|H<1>,2|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>}	121.9073	0.095	3	120.9645	0.724	8	121.5991	1.147	19	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]O[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	123.0220	0.000	1	123.0220	0.000	1	121.5991	1.147	19	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]O[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.4280	0.000	1	121.4280	0.000	1	121.5991	1.147	19	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]N[5,5]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]N[5,5]Pd)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]N[5,5]C[5])(C[6a]C[6a]H){1|Pd<4>,1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]N[5,5]Pd)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	122.4830	0.537	2	122.4830	0.289	2	121.5991	1.147	19	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]B[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]B[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|B<4>,2|C<3>,2|H<1>}	121.1250	0.000	1	120.4642	0.323	4	121.6771	1.258	10	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]B[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]B[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	120.2440	0.439	3	120.4642	0.323	4	121.6771	1.258	10	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|Se<2>,1|C<4>,1|H<1>,2|C<3>,2|N<2>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|N<2>,2|C<3>,2|H<1>}	122.0170	0.000	1	122.0170	0.000	1	121.6771	1.258	10	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,2|C<3>,2|H<1>}	122.3820	0.000	1	122.3820	0.000	1	121.6771	1.258	10	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,2|C<4>,2|H<1>}	122.3410	0.000	1	122.5040	0.024	3	121.6771	1.258	10	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,2|H<1>,3|C<3>}	122.5855	0.087	2	122.5040	0.024	3	121.6771	1.258	10	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	123.0030	0.000	1	123.0030	0.000	1	121.6771	1.258	10	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(N[5,5]Si[3x5]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(N[5,5]Si[3x5]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(N[5,5]Si[3x5]C[5])(C[6a]C[6a]H){2|N<3>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|Si<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(N[5,5]Si[3x5]C[5])(C[6a]C[6a]H){2|N<3>,3|H<1>,5|C<3>}	120.1074	0.292	8	120.1074	0.085	8	120.1074	0.085	8	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(N[5]C[5,5]Cu)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|Cu<4>,1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(N[5]C[5,5]Cu)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	122.3020	0.000	1	122.3020	0.000	1	122.3020	0.000	1	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(N[5,5]C[5,5,6]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]C)(H)	C[5,6a](N[5,6]C[5,5,6]C[6,6a])(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(N[5,5]C[5,5,6]C[5])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](N[5,6]C[5,5,6]C[6,6a])(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	121.9477	0.201	3	121.9477	0.040	3	121.9477	0.040	3	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	122.8220	0.000	1	122.8220	0.000	1	121.5087	1.939	28	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	120.4505	0.104	2	120.4505	0.011	2	121.5087	1.939	28	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	122.0990	0.000	1	122.2517	0.085	3	121.5087	1.939	28	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	122.0680	0.000	1	122.2517	0.085	3	121.5087	1.939	28	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	122.5880	0.000	1	122.2517	0.085	3	121.5087	1.939	28	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.8270	0.000	1	120.9590	2.040	14	121.5087	1.939	28	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	120.5020	0.000	1	120.9590	2.040	14	121.5087	1.939	28	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<2>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	120.6020	0.086	2	120.9590	2.040	14	121.5087	1.939	28	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|Br<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	121.5930	0.000	1	120.9590	2.040	14	121.5087	1.939	28	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	121.4440	0.000	1	120.9590	2.040	14	121.5087	1.939	28	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|I<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|H<1>,1|I<1>,1|N<3>,2|C<3>}	121.5770	0.000	1	120.9590	2.040	14	121.5087	1.939	28	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	120.9780	0.000	1	120.9590	2.040	14	121.5087	1.939	28	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	119.9105	0.159	2	120.9590	2.040	14	121.5087	1.939	28	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	118.3320	0.000	1	120.9590	2.040	14	121.5087	1.939	28	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){2|H<1>,4|C<3>}	119.8510	0.000	1	120.9590	2.040	14	121.5087	1.939	28	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	123.6485	0.435	2	120.9590	2.040	14	121.5087	1.939	28	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]B[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]N[5,6]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]B[6])(C[6a]C[6a]H){1|B<4>,1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]N[5,6]H)(C[6a]C[6a]H){1|C<3>,2|B<4>,2|H<1>}	120.6825	0.110	2	120.6825	0.012	2	121.5087	1.939	28	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]N[5,6]C[6a])(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]N[5,6]C[6a])(C[6a]C[6a]O){2|C<4>,2|H<1>,3|C<3>}	124.1050	0.000	1	124.1050	0.000	1	121.5087	1.939	28	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]N[5,6]H)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]N[5,6]H)(C[6a]C[6a]O){1|C<3>,2|C<4>,2|H<1>}	123.2525	0.177	2	123.2525	0.032	2	121.5087	1.939	28	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]N[5,6]Cu)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]C[6])(C[6a]C[6a]H){1|Cu<2>,1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]N[5,6]Cu)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	122.5930	0.000	1	122.5930	0.000	1	121.5087	1.939	28	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]N[5,6]Pd)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]C[6])(C[6a]C[6a]H){1|Pd<4>,1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]N[5,6]Pd)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	121.8865	0.315	2	121.8865	0.099	2	121.5087	1.939	28	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|F<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|B<4>,1|C<3>,1|N<2>,2|H<1>}	121.3970	0.000	1	121.5370	0.039	2	121.6513	0.483	14	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|F<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|B<4>,2|C<3>,2|H<1>}	121.6770	0.000	1	121.5370	0.039	2	121.6513	0.483	14	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|S<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	122.0030	0.000	1	122.0030	0.000	1	121.6513	0.483	14	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,2|C<4>,2|H<1>}	122.8310	0.000	1	121.8823	0.701	3	121.6513	0.483	14	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,2|C<3>,3|H<1>}	121.4080	0.228	2	121.8823	0.701	3	121.6513	0.483	14	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){2|C<3>,2|C<4>,2|H<1>}	121.6680	0.000	1	121.4778	0.458	6	121.6513	0.483	14	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<4>,2|C<3>,2|H<1>}	120.3050	0.000	1	121.4778	0.458	6	121.6513	0.483	14	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<2>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	122.3910	0.000	1	121.4778	0.458	6	121.6513	0.483	14	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<4>,2|C<3>,2|H<1>}	121.5010	0.144	3	121.4778	0.458	6	121.6513	0.483	14	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){3|C<3>,3|H<1>}	120.7540	0.000	1	120.7540	0.000	1	121.6513	0.483	14	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]S[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]S[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|N<2>,1|S<4>,2|H<1>}	122.7730	0.000	1	122.7730	0.000	1	121.6513	0.483	14	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(N[5]C[5,6]Cd)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|Cd<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(N[5]C[5,6]Cd)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	122.5890	0.000	1	122.5890	0.000	1	122.5890	0.000	1	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]S[6])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5,6])(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a,6a]H)(N[5]C[5,6]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]S[6])(C[6a]C[6a,6a]H){1|C<4>,1|H<1>,1|N<2>,2|O<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5,6])(H){1|N<3>,1|O<1>,1|O<2>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a,6a]H)(N[5]C[5,6]C){1|H<1>,1|N<2>,1|S<4>,2|C<3>}	121.6480	0.000	1	121.6480	0.000	1	121.6480	0.000	1	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	122.5795	0.097	2	122.5795	0.009	2	121.7804	1.048	22	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	122.2310	0.000	1	122.2310	0.000	1	121.7804	1.048	22	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5a]N[5])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>,2|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(C[5]N[5]H){2|C<3>,3|H<1>}	123.6790	0.000	1	123.6790	0.000	1	121.7804	1.048	22	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6]N[5])(C[6a]C[6a]H){1|Fe<6>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Fe<6>,2|C<3>,2|H<1>}	121.9245	0.420	4	121.8208	0.186	5	121.7804	1.048	22	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6]N[5])(C[6a]C[6a]H){1|Os<10>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Os<10>,1|C<3>,1|C<5>,2|H<1>}	121.4060	0.000	1	121.8208	0.186	5	121.7804	1.048	22	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,2|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	121.8210	0.000	1	121.8210	0.000	1	121.7804	1.048	22	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	123.0095	0.554	2	123.0095	0.307	2	121.7804	1.048	22	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|O<1>,2|C<3>,2|H<1>}	122.2447	0.415	3	122.2447	0.172	3	121.7804	1.048	22	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|N<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<2>,2|C<3>,3|H<1>}	119.6660	0.000	1	120.6316	0.435	7	121.7804	1.048	22	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.0200	0.000	1	120.6316	0.435	7	121.7804	1.048	22	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|N<3>,2|H<1>,3|C<3>}	120.2190	0.000	1	120.6316	0.435	7	121.7804	1.048	22	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|H<1>,3|C<3>}	121.2645	0.265	2	120.6316	0.435	7	121.7804	1.048	22	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|H<1>,1|O<1>,2|C<3>}	121.0010	0.000	1	120.6316	0.435	7	121.7804	1.048	22	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	120.9860	0.000	1	120.6316	0.435	7	121.7804	1.048	22	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[3x6]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[3x6]C[5])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	120.7980	0.000	1	120.5400	0.133	2	121.3852	1.284	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[3x6]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[3x6]C[5])(C[6a]C[6a]H){1|Pd<4>,1|C<3>,2|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	120.2820	0.000	1	120.5400	0.133	2	121.3852	1.284	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Ir<6>,1|C<3>,2|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,1|C<3>,1|H<1>,2|C<4>}	120.7007	0.490	3	120.7007	0.240	3	121.3852	1.284	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|C<3>,1|S<1>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|S<1>,2|H<1>}	120.4785	0.111	2	120.8990	0.658	40	121.3852	1.284	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	120.5896	0.059	8	120.8990	0.658	40	121.3852	1.284	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Fe<6>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Fe<6>,2|C<3>,2|H<1>}	122.0180	0.861	3	120.8990	0.658	40	121.3852	1.284	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Ir<6>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,2|C<3>,2|H<1>}	120.5110	0.176	3	120.8990	0.658	40	121.3852	1.284	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Mn<6>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Mn<6>,2|C<3>,2|H<1>}	122.1800	0.000	1	120.8990	0.658	40	121.3852	1.284	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Mn<6>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Mn<6>,2|C<3>,2|H<1>}	120.3780	0.000	1	120.8990	0.658	40	121.3852	1.284	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Ni<6>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<6>,2|C<3>,2|H<1>}	121.8245	0.743	2	120.8990	0.658	40	121.3852	1.284	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Pd<4>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,2|C<3>,2|H<1>}	121.8695	0.029	2	120.8990	0.658	40	121.3852	1.284	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Pd<4>,1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	121.0630	2.052	2	120.8990	0.658	40	121.3852	1.284	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Pd<4>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,2|C<3>,2|H<1>}	119.9880	0.000	1	120.8990	0.658	40	121.3852	1.284	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Pd<6>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<6>,2|C<3>,2|H<1>}	120.3320	0.953	4	120.8990	0.658	40	121.3852	1.284	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Re<6>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Re<6>,2|C<3>,2|H<1>}	122.4990	0.000	1	120.8990	0.658	40	121.3852	1.284	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Re<6>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Re<6>,2|C<3>,2|H<1>}	120.6160	0.233	3	120.8990	0.658	40	121.3852	1.284	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Ru<6>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<6>,2|C<3>,2|H<1>}	120.7606	0.300	5	120.8990	0.658	40	121.3852	1.284	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	120.5815	0.005	2	120.8990	0.658	40	121.3852	1.284	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Ru<8>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<8>,2|C<3>,2|H<1>}	120.7590	0.554	3	120.7590	0.307	3	121.3852	1.284	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]N[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<3>,3|H<1>}	123.0610	0.000	1	122.7675	0.172	2	121.3852	1.284	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]N[5])(C[6a]C[6a]H){1|Pd<4>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|N<3>,2|H<1>}	122.4740	0.000	1	122.7675	0.172	2	121.3852	1.284	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5a]C[5])(C[6a]C[6a]H){1|Ru<9>,1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<9>,2|C<3>,2|H<1>}	121.7970	0.215	2	121.6640	0.076	3	121.3852	1.284	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5a]C[5])(C[6a]C[6a]H){1|Ru<9>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<9>,2|C<3>,2|H<1>}	121.3980	0.000	1	121.6640	0.076	3	121.3852	1.284	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5a]C[5])(C[6a]C[6a]H){1|Ir<8>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir){2|C<3>,3|H<1>}	122.3010	0.000	1	122.3010	0.000	1	121.3852	1.284	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6,6]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6,6]C[5])(C[6a]C[6a]H){1|Rh<6>,1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Rh<6>,1|C<3>,1|C<4>,2|H<1>}	121.0530	0.605	2	121.0530	0.366	2	121.3852	1.284	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ir<8>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<8>,1|C<4>,1|H<1>,2|C<3>}	121.5685	0.506	2	120.8520	0.548	8	121.3852	1.284	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Os<6>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Os<6>,1|C<4>,1|H<1>,2|C<3>}	119.8860	0.000	1	120.8520	0.548	8	121.3852	1.284	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Os<8>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Os<8>,1|C<4>,1|H<1>,2|C<3>}	119.9150	0.000	1	120.8520	0.548	8	121.3852	1.284	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ru<9>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<9>,1|C<4>,1|H<1>,2|C<3>}	120.7920	0.395	3	120.8520	0.548	8	121.3852	1.284	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,3|H<1>}	121.5020	0.000	1	120.8520	0.548	8	121.3852	1.284	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|N<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,3|H<1>}	121.4250	0.221	2	121.1977	1.470	81	121.3852	1.284	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,3|H<1>}	121.3842	0.441	6	121.1977	1.470	81	121.3852	1.284	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,3|H<1>}	122.0005	0.509	4	121.1977	1.470	81	121.3852	1.284	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,4|H<1>}	119.7420	0.000	1	121.1977	1.470	81	121.3852	1.284	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Fe<4>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Fe<4>,2|C<3>,2|H<1>}	121.8481	0.243	8	121.1977	1.470	81	121.3852	1.284	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Fe<8>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Fe<8>,2|C<3>,2|H<1>}	122.0547	0.183	3	121.1977	1.470	81	121.3852	1.284	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ir<6>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,2|C<3>,2|H<1>}	119.9802	0.949	20	121.1977	1.470	81	121.3852	1.284	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ir<8>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<8>,2|C<3>,2|H<1>}	120.9260	0.000	1	121.1977	1.470	81	121.3852	1.284	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Os<6>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Os<6>,2|C<3>,2|H<1>}	120.1811	0.747	7	121.1977	1.470	81	121.3852	1.284	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Os<7>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Os<7>,2|C<3>,2|H<1>}	120.3942	0.223	5	121.1977	1.470	81	121.3852	1.284	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Pd<4>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,2|C<3>,2|H<1>}	122.2382	0.999	14	121.1977	1.470	81	121.3852	1.284	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Pd<5>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<5>,2|C<3>,2|H<1>}	123.1260	0.000	1	121.1977	1.470	81	121.3852	1.284	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Pd<7>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<7>,2|C<3>,2|H<1>}	121.7530	0.000	1	121.1977	1.470	81	121.3852	1.284	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Rh<6>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Rh<6>,2|C<3>,2|H<1>}	122.6573	0.486	3	121.1977	1.470	81	121.3852	1.284	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ru<9>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<9>,2|C<3>,2|H<1>}	120.4740	0.000	1	121.1977	1.470	81	121.3852	1.284	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Se<1>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<1>,2|C<3>,2|H<1>}	122.1838	0.373	4	121.1977	1.470	81	121.3852	1.284	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Cu<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){2|H<1>,3|C<3>}	121.7340	0.000	1	121.7340	0.000	1	121.3852	1.284	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){2|H<1>,3|C<3>}	121.9220	0.000	1	121.9220	0.000	1	121.3852	1.284	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ir<6>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir){2|H<1>,3|C<3>}	122.3061	0.807	18	122.3061	0.651	18	121.3852	1.284	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pd)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Pd<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pd){2|H<1>,3|C<3>}	122.6370	0.000	1	122.6370	0.000	1	121.3852	1.284	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pt)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Pt<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pt){2|H<1>,3|C<3>}	122.7027	0.845	12	122.7027	0.714	12	121.3852	1.284	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Re)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Re<6>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Re){2|H<1>,3|C<3>}	122.2015	0.293	2	122.2015	0.086	2	121.3852	1.284	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ru<6>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru){2|H<1>,3|C<3>}	124.0330	0.000	1	122.7680	3.200	2	121.3852	1.284	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ru<9>,1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru){1|C<4>,2|C<3>,2|H<1>}	121.5030	0.000	1	122.7680	3.200	2	121.3852	1.284	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Zn<5>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn){2|H<1>,3|C<3>}	122.3695	0.749	2	122.3695	0.561	2	121.3852	1.284	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]P)(N[5]C[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Cu<4>,1|H<1>,1|P<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]P)(N[5]C[5]Cu){2|H<1>,3|C<3>}	121.3920	0.464	2	121.3920	0.215	2	121.3852	1.284	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]P[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]P[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]P[5]C){1|N<3>,2|C<3>,2|H<1>}	120.9410	0.000	1	120.9410	0.000	1	121.3852	1.284	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]P[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]P[5])(C[6a]C[6a]H){1|Se<1>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]P[5]H){1|Se<1>,2|H<1>,3|C<3>}	120.4810	0.000	1	120.4810	0.000	1	121.3852	1.284	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]In[5]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]In[5]C[5])(C[6a]C[6a]H){2|Cl<1>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|In<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|In<5>,2|C<3>,2|H<1>}	121.9405	0.385	2	121.9405	0.149	2	121.3852	1.284	190	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(N[5]C[5,5]Cu)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(N[5]C[5,5]Cu)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|Cu<4>,1|C<3>,2|C<4>,4|H<1>}	120.0420	0.000	1	120.0420	0.000	1	120.0420	0.000	1	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(N[5]C[5,6]Cd)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(N[5]C[5,6]Cd)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cd<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|Cd<4>,1|N<3>,3|C<3>,3|H<1>}	119.6550	0.000	1	119.6550	0.000	1	119.6550	0.000	1	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[3x6]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[3x6]C[5])(C[6a]C[6a]H){1|Ir<5>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ir<5>,1|C<4>,2|H<1>,3|C<3>}	119.9400	0.117	2	119.9400	0.014	2	121.2445	1.412	63	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Pd<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Pd<4>,2|H<1>,4|C<3>}	119.7385	0.586	2	119.7385	0.344	2	121.2445	1.412	63	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[3x6]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ir<5>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[3x6]C[5])(C[6a]C[6a]H){1|Ir<5>,2|C<3>,2|H<1>,3|C<4>}	121.9850	0.317	2	121.9850	0.100	2	121.2445	1.412	63	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Pd<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Pd<4>,1|N<3>,2|H<1>,3|C<3>}	123.0225	0.122	2	123.0225	0.015	2	121.2445	1.412	63	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ir<5>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ir<5>,2|H<1>,4|C<3>}	121.5717	1.213	12	121.6096	0.663	43	121.2445	1.412	63	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ir<6>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ir<6>,2|H<1>,4|C<3>}	121.4689	0.802	7	121.6096	0.663	43	121.2445	1.412	63	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ni<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ni<4>,2|H<1>,4|C<3>}	121.5810	0.692	4	121.6096	0.663	43	121.2445	1.412	63	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ni<6>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ni<6>,2|H<1>,4|C<3>}	121.7720	0.373	4	121.6096	0.663	43	121.2445	1.412	63	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Pd<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Pd<4>,2|H<1>,4|C<3>}	121.4445	0.815	4	121.6096	0.663	43	121.2445	1.412	63	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Pt<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Pt<4>,2|H<1>,4|C<3>}	120.8950	0.335	2	121.6096	0.663	43	121.2445	1.412	63	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Rh<6>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Rh<6>,2|H<1>,4|C<3>}	121.6395	0.121	2	121.6096	0.663	43	121.2445	1.412	63	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	121.9025	0.424	6	121.6096	0.663	43	121.2445	1.412	63	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	122.1980	0.571	2	121.6096	0.663	43	121.2445	1.412	63	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	122.2810	0.119	2	122.2810	0.014	2	121.2445	1.412	63	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]Ga[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]Ga[5]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]Ga[5])(C[6a]C[6a]H){1|Fe<5>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ga<3>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]Ga[5]C[5])(C[6a]C[6a]H){1|Fe<5>,2|C<3>,2|H<1>,2|N<3>}	118.6890	0.000	1	118.5750	0.026	2	121.2445	1.412	63	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]Ga[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]Ga[5]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]Ga[5])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ga<2>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]Ga[5]C[5])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<3>}	118.4610	0.000	1	118.5750	0.026	2	121.2445	1.412	63	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]Ge[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]Ge[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]Ge[5])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ge<2>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]Ge[5])(C[6a]C[6a]H){2|H<1>,4|C<3>}	120.0535	0.402	2	120.0535	0.162	2	121.2445	1.412	63	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]In[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]In[5]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]In[5])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|In<2>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]In[5]C[5])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<3>}	118.1660	0.000	1	118.1660	0.000	1	121.2445	1.412	63	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]Ga[5]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]Ga[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]Ga[5]C[5])(C[6a]C[6a]H){1|Fe<5>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ga<3>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]Ga[5])(C[6a]C[6a]H){1|Fe<5>,2|H<1>,4|C<3>}	120.6140	0.000	1	120.4110	0.082	2	121.2445	1.412	63	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]Ga[5]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]Ga[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]Ga[5]C[5])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ga<2>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]Ga[5])(C[6a]C[6a]H){2|H<1>,4|C<3>}	120.2080	0.000	1	120.4110	0.082	2	121.2445	1.412	63	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]In[5]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]In[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]In[5]C[5])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|In<2>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]In[5])(C[6a]C[6a]H){2|H<1>,4|C<3>}	119.2950	0.000	1	119.2950	0.000	1	121.2445	1.412	63	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]Si[3x5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]Si[3x5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]Si[3x5]C)(C[6a]C[6a]H){1|C<3>,1|P<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]Si[3x5]C)(C[6a]C[6a]H){1|C<3>,1|P<3>,2|C<4>,2|H<1>}	119.8595	0.308	2	119.8595	0.095	2	121.2445	1.412	63	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[4,5]-3:C[6a]-3:	C[5,6a](C[5,6a]O[4,5]C[6a])(N[5]In[4,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(O[4,5]In[4,5]2)(C[6a]C[6a]C)	C[5,6a](C[5,6a]O[4,5]C[6a])(N[5]In[4,5]C[6a])(C[6a]C[6a]H){1|In<4>,1|O<3>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|In<4>,1|H<1>,1|O<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(O[4,5]In[4,5]2)(C[6a]C[6a]C){1|N<3>,1|O<3>,2|C<3>,2|C<4>,2|H<1>}	118.4545	0.339	2	118.4545	0.115	2	118.4545	0.115	2	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(N[5]In[5,5]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5]In[5,5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(N[5]In[5,5]C[6])(C[6a]C[6a]H){3|Cl<1>,1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|In<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](N[5,5]In[5,5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){3|Cl<1>,1|N<3>,2|H<1>,3|C<3>}	116.6470	0.000	1	116.6470	0.000	1	118.7467	3.445	3	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(N[5]P[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(N[5]P[5,5]C[6a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<3>,2|C<3>}	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	119.7965	0.527	2	119.7965	0.278	2	118.7467	3.445	3	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(N[5]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]B[5,6]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(N[5]C[5,6]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](N[5,6]B[5,6]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	123.1500	0.000	1	123.1500	0.000	1	121.3225	6.477	4	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(N[5]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]B[6,6]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(N[5]C[5,6]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](N[5,6]B[6,6]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	123.8690	0.000	1	123.8690	0.000	1	121.3225	6.477	4	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(N[5]Ge[5,5,6]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]Ge[5,5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(N[5]Ge[5,5,6]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ge<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](N[5,6]Ge[5,5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	119.1355	0.202	2	119.1355	0.041	2	121.3225	6.477	4	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6a]C[6a])(N[5]C[5,6a]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6a]C[6a])(N[5]C[5,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	121.1290	0.000	1	121.3085	0.064	2	121.5693	0.236	3	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6a]C[6a])(N[5]C[5,6a]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6a]C[6a])(N[5]C[5,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,2|N<2>,3|C<3>}	121.4880	0.000	1	121.3085	0.064	2	121.5693	0.236	3	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6a]C[6a])(N[5]C[5,6a]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6a]C[6a])(N[5]C[5,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	122.0910	0.000	1	122.0910	0.000	1	121.5693	0.236	3	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	O[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]O[5,5]C[6a])(N[5]Ga[5,5]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](O[5,5]C[5,6a]Ga[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]O[5,5]C[6a])(N[5]Ga[5,5]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ga<4>,1|C<3>,1|C<4>,1|H<1>,1|O<3>}	C[5,6a](O[5,5]C[5,6a]Ga[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	115.4415	0.052	2	115.4415	0.003	2	116.1435	0.673	4	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	O[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]O[5,5]C[6a])(N[5]Ga[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](O[5,5]C[5,6a]Ga[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]O[5,5]C[6a])(N[5]Ga[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ga<4>,1|H<1>,1|O<3>,2|C<3>}	C[5,6a](O[5,5]C[5,6a]Ga[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	116.8455	0.210	2	116.8455	0.044	2	116.1435	0.673	4	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:N[6a]-3:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(N[5]C[6a]C[5])(C[6a]N[6a]O)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C)	C[5,6a](C[5,6a]N[6a]N[5])(N[5]C[6a]C[5])(C[6a]N[6a]O){1|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O){1|O<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C){1|C<3>,1|H<1>,1|N<3>,2|O<1>}	122.0920	0.000	1	122.0920	0.000	1	122.0920	0.000	1	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:O[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	127.3063	0.079	4	127.3063	0.006	4	127.3063	0.006	4	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(P[5,5]P[5,5]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]P[5,5]C[6a])(P[5]P[5,5]Li)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(P[5,5]P[5,5]P[5])(C[6a]C[6a]H){2|Li<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]P[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|P<3>}	C[5,6a](C[5,6a]P[5,5]C[6a])(P[5]P[5,5]Li)(C[6a]C[6a]H){1|P<3>,2|C<3>,2|H<1>}	119.9005	0.156	2	119.9005	0.024	2	119.9005	0.024	2	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a])(C[6a]C[6a]Cl){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(Cl){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,5|C<3>}	120.1500	0.000	1	120.1500	0.000	1	120.1500	0.000	1	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(P[5]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]S[5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(P[5]C[5,5]C[6a])(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]S[5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	119.5330	0.000	1	119.5330	0.000	1	119.5330	0.000	1	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	120.1419	0.261	8	120.1419	0.068	8	120.3506	0.742	16	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[5])(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	119.4075	0.264	2	119.4075	0.070	2	120.3506	0.742	16	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]C){3|H<1>,4|C<3>}	121.9460	0.000	1	121.9460	0.000	1	120.3506	0.742	16	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	119.8175	0.818	2	119.8175	0.669	2	120.3506	0.742	16	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]I)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]I)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|I<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|I<1>,3|C<3>,3|H<1>}	120.8390	0.008	2	120.8390	0.000	2	120.3506	0.742	16	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]W)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]W)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|W<6>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|W<6>,2|H<1>,4|C<3>}	122.4000	0.000	1	122.4000	0.000	1	120.3506	0.742	16	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.4770	0.000	1	119.4770	0.000	1	119.4770	0.000	1	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]Br)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]Br){2|H<1>,3|C<3>}	120.0920	0.000	1	120.0920	0.000	1	120.0920	0.000	1	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]P[5,5]C[6a])(P[5]P[5,5]Li)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(P[5,5]P[5,5]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]P[5,5]C[6a])(P[5]P[5,5]Li)(C[6a]C[6a]H){1|P<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|Li<4>,1|C<3>,1|H<1>,2|P<3>}	C[5,6a](C[5,6a]C[6a]P[5])(P[5,5]P[5,5]P[5])(C[6a]C[6a]H){2|Li<4>,2|H<1>,3|C<3>}	117.2085	0.446	2	117.2085	0.199	2	117.2085	0.199	2	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:S[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	123.0920	0.272	2	123.0920	0.074	2	122.9527	0.724	24	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:S[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]N)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|F<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|F<1>,1|N<2>,2|H<1>,3|C<3>}	123.7225	0.244	2	123.8526	0.029	8	122.9527	0.724	24	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:S[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]N)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	123.8960	0.139	6	123.8526	0.029	8	122.9527	0.724	24	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:S[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]Ru)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]Ru)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|Ru<8>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Ru<8>,1|C<4>,2|H<1>,3|C<3>}	122.2440	0.428	4	122.4186	0.451	14	122.9527	0.724	24	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:S[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]Ru)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]Ru)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|Ru<8>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Ru<8>,3|C<3>,3|H<1>}	122.3688	0.805	8	122.4186	0.451	14	122.9527	0.724	24	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:S[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]Ru)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]Ru)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|Ru<9>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Ru<9>,3|C<3>,3|H<1>}	122.9675	0.162	2	122.4186	0.451	14	122.9527	0.724	24	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:S[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:Ge[5]-3:	C[5,6a](C[5,6a]C[6a]Ge[5])(S[5]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]S)(Ge[5]O[5]Cl)	C[5,6a](C[5,6a]C[6a]Ge[5])(S[5]C[6a]O[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|S<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H){1|Ge<3>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]S)(Ge[5]O[5]Cl){2|C<3>,2|H<1>}	124.9250	0.000	1	124.9250	0.000	1	124.9250	0.000	1	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:Se[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(Se[5]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(Se[5]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O){2|H<1>,3|C<3>}	119.6780	0.000	1	119.6780	0.000	1	119.6780	0.000	1	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](N[5,5]C[5,6a]C[3x5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]S)	C[5,6a](N[5,5]C[5,6a]C[3x5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]S){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.8500	0.000	1	120.8500	0.000	1	120.4741	0.372	27	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](N[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](N[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|B<4>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|B<4>,2|C<3>,2|H<1>}	120.9630	0.000	1	120.9630	0.000	1	120.4741	0.372	27	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](N[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[5,6a](N[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|B<4>,2|C<3>,2|H<1>}	121.1010	0.000	1	121.1010	0.000	1	120.4741	0.372	27	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C)	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	120.8970	0.021	2	120.3181	0.395	20	120.4741	0.372	27	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C)	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<5>,2|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	120.0085	0.472	2	120.3181	0.395	20	120.4741	0.372	27	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C)	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<5>,2|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	120.0435	0.288	6	120.3181	0.395	20	120.4741	0.372	27	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C)	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C){1|N<3>,2|C<3>,2|H<1>}	120.8330	0.321	2	120.3181	0.395	20	120.4741	0.372	27	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C)	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<5>,2|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C){2|C<3>,2|N<3>,3|H<1>}	119.7007	0.422	4	120.3181	0.395	20	120.4741	0.372	27	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C)	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Se<1>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C){1|Se<1>,1|N<3>,2|C<3>,2|H<1>}	121.5065	0.163	2	120.3181	0.395	20	120.4741	0.372	27	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C)	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|Cl<1>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<5>,2|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C){2|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	120.4040	0.040	2	120.3181	0.395	20	120.4741	0.372	27	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](N[5,5]Ga[5,5]C[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](N[5,5]Ga[5,5]C[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|Cl<1>,1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|Ga<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|Ga<5>,2|C<3>,2|H<1>}	120.8815	0.284	4	120.8815	0.080	4	120.4741	0.372	27	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(N[5]P[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(N[5]P[5,5]C[6a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	121.1125	0.183	2	121.1125	0.034	2	121.2987	0.121	3	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](N[5,5]In[5,5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(N[5]In[5,5]C[6])(C[6a]C[6a]H)	C[5,6a](N[5,5]In[5,5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){3|Cl<1>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|In<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(N[5]In[5,5]C[6])(C[6a]C[6a]H){3|Cl<1>,1|N<2>,2|C<3>,2|H<1>,2|N<3>}	121.6710	0.000	1	121.6710	0.000	1	121.2987	0.121	3	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H)	C[5,6a](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	122.0430	0.000	1	121.9787	0.074	3	121.9787	0.074	3	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H)	C[5,6a](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.9465	0.377	2	121.9787	0.074	3	121.9787	0.074	3	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](N[5,6,6]C[5,3x6]C[6,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]N[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6,6]C[6a])(C[5]C[5,3x6]O)(C[6a]C[6a]H)	C[5,6a](N[5,6,6]C[5,3x6]C[6,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6a](C[5,6a]N[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]N[5,6,6]C[6a])(C[5]C[5,3x6]O)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	119.3620	0.000	1	119.3620	0.000	1	121.5170	2.466	4	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](N[5,6,6]N[5,6,6]B[3x6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]N[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6,6]C[6a])(C[5]N[5,6,6]C)(C[6a]C[6a]H)	C[5,6a](N[5,6,6]N[5,6,6]B[3x6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Nb<7>,1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[6a](C[5,6a]N[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,6,6]C[6a])(C[5]N[5,6,6]C)(C[6a]C[6a]H){1|Nb<7>,1|B<4>,1|C<3>,2|H<1>}	122.2353	0.776	3	122.2353	0.603	3	121.5170	2.466	4	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5,6,6]C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5,6,6]C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	120.5500	0.000	1	120.3520	0.033	3	120.3520	0.033	3	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5,6,6]C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5,6,6]C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	120.1920	0.000	1	120.3520	0.033	3	120.3520	0.033	3	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5,6,6]C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5,6,6]C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	120.3140	0.000	1	120.3520	0.033	3	120.3520	0.033	3	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](N[5,6]C[5,5,6]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]H)	C[5,6a](N[5,6]C[5,5,6]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	119.9660	0.105	2	119.9660	0.011	2	120.7199	0.527	13	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](N[5,6]C[5,5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]H)	C[5,6a](N[5,6]C[5,5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.8680	0.000	1	119.7885	0.013	2	120.7199	0.527	13	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](N[5,6]C[5,5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]H)	C[5,6a](N[5,6]C[5,5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	119.7090	0.000	1	119.7885	0.013	2	120.7199	0.527	13	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](N[5,6]C[5,6,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6,6]O)(C[6a]C[6a]H)	C[5,6a](N[5,6]C[5,6,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6,6]O)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.7840	0.000	2	120.7840	0.000	2	120.7199	0.527	13	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](N[5,6]C[5,6]C[6,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](N[5,6]C[5,6]C[6,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<4>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.7570	0.403	2	120.7570	0.162	2	120.7199	0.527	13	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](N[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]H)	C[5,6a](N[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	121.4000	0.000	1	121.4000	0.000	1	120.7199	0.527	13	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](N[5,6]N[5,6]Ga[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]N[5,6]H)(C[6a]C[6a]H)	C[5,6a](N[5,6]N[5,6]Ga[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Ga<4>,1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|Ga<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]N[5,6]H)(C[6a]C[6a]H){2|Ga<4>,1|C<3>,2|H<1>}	121.3420	0.644	4	121.3420	0.415	4	120.7199	0.527	13	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](N[5,6]C[3x6]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[5,6a](N[5,6]C[3x6]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,2|C<3>,2|H<1>}	120.5028	0.381	8	120.5028	0.145	8	120.4508	0.151	9	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](N[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[5,6a](N[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|N<2>,2|C<3>,2|H<1>}	120.0350	0.000	1	120.0350	0.000	1	120.4508	0.151	9	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a](N[5,6]C[5,5,6]C[6,6a])(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(N[5,5]C[5,5,6]C[5])(C[6a]C[6a]H)	C[5,6a](N[5,6]C[5,5,6]C[6,6a])(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]N[5,6]C[6a])(N[5,5]C[5,5,6]C[5])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	119.2803	0.111	3	119.2803	0.012	3	119.2803	0.012	3	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](N[5,6]B[5,6]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(N[5]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](N[5,6]B[5,6]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(N[5]C[5,6]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	120.3530	0.000	1	120.3530	0.000	1	120.2700	0.374	4	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](N[5,6]B[6,6]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(N[5]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](N[5,6]B[6,6]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(N[5]C[5,6]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	121.0970	0.000	1	121.0970	0.000	1	120.2700	0.374	4	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](N[5,6]Ge[5,5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(N[5]Ge[5,5,6]C)(C[6a]C[6a]H)	C[5,6a](N[5,6]Ge[5,5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|Ge<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(N[5]Ge[5,5,6]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	119.8150	0.130	2	119.8150	0.017	2	120.2700	0.374	4	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](N[5,6]In[5,5,6,6]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]In[5,5,6,6]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](N[5,6]In[5,5,6,6]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|In<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](N[5,6]In[5,5,6,6]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|H<1>,2|N<3>,3|C<3>}	118.9335	0.594	4	118.9335	0.353	4	119.3646	0.618	10	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](N[5,6]Si[5,6,6]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]Si[5,6,6]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](N[5,6]Si[5,6,6]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|Si<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](N[5,6]Si[5,6,6]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){2|O<2>,3|H<1>,5|C<3>}	120.4520	0.202	2	119.6520	0.653	6	119.3646	0.618	10	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](N[5,6]Si[5,6,6]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]Si[5,6,6]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](N[5,6]Si[5,6,6]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){2|H<1>,2|O<2>,6|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|Si<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](N[5,6]Si[5,6,6]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){2|O<2>,3|H<1>,5|C<3>}	118.9600	0.000	1	119.6520	0.653	6	119.3646	0.618	10	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](N[5,6]Si[5,6,6]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]Si[5,6,6]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](N[5,6]Si[5,6,6]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){2|O<2>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|Si<5>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](N[5,6]Si[5,6,6]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	118.9055	0.078	2	119.6520	0.653	6	119.3646	0.618	10	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](N[5,6]Si[5,6,6]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]Si[5,6,6]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](N[5,6]Si[5,6,6]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){2|O<2>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|Si<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](N[5,6]Si[5,6,6]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){2|H<1>,2|O<2>,6|C<3>}	120.2370	0.000	1	119.6520	0.653	6	119.3646	0.618	10	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]Cl)	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|Cl<1>,1|N<2>,2|C<3>,2|O<1>}	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]Cl)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]Cl){1|N<2>,2|C<3>,2|H<1>}	122.9330	0.014	2	122.9330	0.000	2	122.7330	0.120	3	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	122.3330	0.000	1	122.3330	0.000	1	122.7330	0.120	3	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]N[5,6a]C[6a])(N[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,2|N<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]N[5,6a]C[6a])(N[5]C[5,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	121.7500	0.000	1	121.7500	0.000	1	121.8230	0.076	3	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6a]C[6a])(N[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]N[5,6a]C[6a])(N[5]C[5,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	122.1270	0.000	1	122.1270	0.000	1	121.8230	0.076	3	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6a]C[6a])(N[5]C[5,6a]H)(C[6a]C[6a]H)	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]N[5,6a]C[6a])(N[5]C[5,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.5920	0.000	1	121.5920	0.000	1	121.8230	0.076	3	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	O[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](O[5,5]C[5,6a]Ga[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]O[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]O[5,5]C[6a])(N[5]Ga[5,5]C[5])(C[6a]C[6a]H)	C[5,6a](O[5,5]C[5,6a]Ga[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5,5])(C[6a]C[6a]H)(H){1|Ga<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]O[5,5]C[6a])(N[5]Ga[5,5]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	123.5350	0.034	2	123.5350	0.001	2	123.4868	0.108	4	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	O[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](O[5,5]C[5,6a]Ga[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]O[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]O[5,5]C[6a])(N[5]Ga[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](O[5,5]C[5,6a]Ga[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]O[5,5])(C[6a]C[6a]H)(H){1|Ga<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]O[5,5]C[6a])(N[5]Ga[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	123.4385	0.561	2	123.4385	0.314	2	123.4868	0.108	4	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	P[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](P[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]P[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H)	C[5,6a](P[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]P[5,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]P[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.2500	0.000	1	120.2500	0.000	1	120.2500	0.000	1	121.1749	1.775	10705	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,5]C[5,5]Si[5])(C[5,6a]C[6a]S[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]S[5])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5,6a]H)(S[5]C[5,5]OO)	C[5,6a](C[5,5]C[5,5]Si[5])(C[5,6a]C[6a]S[5])(C[6a]C[5,6a]H){1|H<1>,1|S<4>,2|C<4>,2|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]S[5])(H){1|Si<4>,1|S<4>,2|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5,6a]H)(S[5]C[5,5]OO){1|Si<4>,1|H<1>,3|C<3>}	118.7770	0.000	1	118.7770	0.000	1	118.7770	0.000	1	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a,6a]H)(H){1|C<4>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	120.5160	0.547	2	120.5160	0.300	2	120.5160	0.300	2	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5,6])(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5a,6a]H)(C[5]C[5,6]HH)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5,6])(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5a,6a]H)(C[5]C[5,6]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.3730	0.000	1	121.3730	0.000	1	121.3730	0.000	1	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:B[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH){2|H<1>,3|C<3>}	119.0580	0.000	1	119.2310	0.166	3	119.2798	0.120	4	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:B[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]N[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<4>,2|C<3>,2|H<1>}	119.3175	0.535	2	119.2310	0.166	3	119.2798	0.120	4	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:B[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]HN)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]HN){1|C<4>,2|C<3>,2|H<1>}	119.4260	0.000	1	119.4260	0.000	1	119.2798	0.120	4	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[4,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[4,6a]H)	C[6a](C[4,6a]C[4,6a]C[4])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[4,6a]C[6a])(C[5]C[5,6a]HH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[4,6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[4,6a]C[4,6a]C[4])(C[5,6a]C[5,6a]2)(H){2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[4,6a]C[6a])(C[5]C[5,6a]HH){1|C<4>,1|H<1>,5|C<3>}	121.9450	0.000	1	121.9450	0.000	1	121.9450	0.000	1	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)	C[5,6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[5,6a]H)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3){11|C<3>,1|H<1>}	122.2877	0.121	3	122.2877	0.015	3	122.2877	0.015	3	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C[6])(S[5]C[5,6a]OO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Pt<4>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C[6])(S[5]C[5,6a]OO){1|Pt<4>,1|H<1>,1|N<3>,4|C<3>}	119.2560	0.000	1	119.2560	0.000	1	119.2560	0.000	1	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H){1|C<4>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5]){2|H<1>,9|C<3>}	122.7890	0.000	1	122.7890	0.000	1	122.7890	0.000	1	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]C)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H){1|H<1>,3|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]C)(H){1|C<4>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC){2|H<1>,5|C<3>}	121.1230	0.000	1	121.1230	0.000	1	121.2602	0.260	8	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H){1|C<4>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H){2|H<1>,7|C<3>}	121.2799	0.548	7	121.2799	0.300	7	121.2602	0.260	8	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:P[5]-4:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]S)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]P[5])(C[6a]C[6a]H){1|S<1>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H){1|P<4>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]S){2|H<1>,7|C<3>}	120.2400	0.000	1	120.2400	0.000	1	120.2400	0.000	1	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:Si[5]-4:	C[5,6a](C[5,6a]C[6a,6a]Si[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]C)	C[5,6a](C[5,6a]C[6a,6a]Si[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H){1|Si<4>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]C){2|H<1>,7|C<3>}	120.9650	0.083	4	120.9650	0.007	4	120.9650	0.007	4	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:I-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]I)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(I)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]I){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(I){1|C<4>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O){1|H<1>,1|I<1>,7|C<3>}	119.4030	0.212	2	119.4030	0.045	2	119.4030	0.045	2	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]H)(C[5]C[5,6a]HH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){1|S<2>,3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]2)(H){1|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]H)(C[5]C[5,6a]HH){1|H<1>,4|C<3>}	120.7145	0.062	2	120.7145	0.004	2	120.7145	0.004	2	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,6a]CC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[5,6a]2)(H){1|C<4>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,6a]CC){1|H<1>,4|C<3>}	120.7740	0.000	1	120.7740	0.000	1	120.6940	0.230	6	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]B[6a])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,6a]CC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){1|B<4>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]B[6a])(C[5,6a]C[5,6a]2)(H){1|C<4>,1|N<3>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,6a]CC){1|H<1>,4|C<3>}	120.2815	0.319	2	120.2815	0.102	2	120.6940	0.230	6	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C)(C[5]C[5,6a]CH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(H){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C)(C[5]C[5,6a]CH){1|H<1>,4|C<3>}	120.8370	0.000	1	120.8370	0.000	1	120.6940	0.230	6	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]N[6]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(H){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]N[6]H){1|H<1>,2|C<4>,6|C<3>}	120.9950	0.707	2	120.9950	0.500	2	120.6940	0.230	6	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H)(S[5]C[5,6a]OO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a,6a]H){1|H<1>,2|O<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(H){1|H<1>,1|S<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H)(S[5]C[5,6a]OO){1|H<1>,4|C<3>}	116.9045	0.438	2	116.9045	0.192	2	116.9045	0.192	2	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[5,6a]H){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])2(H){3|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){2|H<1>,3|C<3>}	120.7010	0.000	1	120.7010	0.000	1	120.7010	0.000	1	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:B[5]-4:	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]N[5]OO){1|N<3>,2|C<3>,2|H<1>}	122.5130	0.000	1	122.5130	0.000	1	122.5130	0.000	1	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|Cl<1>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,4|H<1>}	119.3690	0.000	1	119.3690	0.000	1	119.9646	0.643	41	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|Cl<1>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]C[5]HH){2|C<3>,4|H<1>}	119.1570	0.000	1	119.1570	0.000	1	119.9646	0.643	41	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,3|H<1>}	119.9940	0.188	2	119.2235	0.340	11	119.9646	0.643	41	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,3|H<1>}	119.7240	0.000	1	119.2235	0.340	11	119.9646	0.643	41	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	119.0670	0.000	1	119.2235	0.340	11	119.9646	0.643	41	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|Ru<5>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Ru<5>,2|C<3>,2|H<1>}	118.3920	0.000	1	119.2235	0.340	11	119.9646	0.643	41	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|Ru<6>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Ru<6>,2|C<3>,2|H<1>}	119.0520	0.568	4	119.2235	0.340	11	119.9646	0.643	41	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H){3|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Cl<1>,2|C<3>,3|H<1>}	118.8700	0.000	1	119.2235	0.340	11	119.9646	0.643	41	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H){3|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,4|H<1>}	119.2100	0.000	1	119.2235	0.340	11	119.9646	0.643	41	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]O[5])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){2|C<3>,2|H<1>}	119.7430	0.000	1	119.7430	0.000	1	119.9646	0.643	41	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,3|H<1>}	119.9065	0.944	2	119.9065	0.891	2	119.9646	0.643	41	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,2|C<3>,2|H<1>}	119.6820	0.000	1	120.3810	0.193	6	119.9646	0.643	41	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|H<1>,3|C<3>}	120.3525	0.025	2	120.3810	0.193	6	119.9646	0.643	41	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,3|H<1>}	120.6330	0.377	3	120.3810	0.193	6	119.9646	0.643	41	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	120.5420	0.000	1	120.0290	0.747	6	119.9646	0.643	41	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|N<3>,2|C<3>,2|H<1>}	120.3960	0.000	1	120.0290	0.747	6	119.9646	0.643	41	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,2|C<3>,2|H<1>}	120.6390	0.000	1	120.0290	0.747	6	119.9646	0.643	41	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,2|C<3>,2|H<1>}	120.6410	0.000	1	120.0290	0.747	6	119.9646	0.643	41	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|H<1>,3|C<3>}	118.5420	0.000	1	120.0290	0.747	6	119.9646	0.643	41	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|C<3>,3|H<1>}	119.4140	0.000	1	120.0290	0.747	6	119.9646	0.643	41	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO){2|H<1>,3|C<3>}	120.1685	0.779	2	120.1685	0.606	2	119.9646	0.643	41	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	120.5968	0.248	5	120.4544	0.357	8	119.9646	0.643	41	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<3>,2|C<3>,2|H<1>}	121.0440	0.000	1	120.4544	0.357	8	119.9646	0.643	41	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,3|H<1>}	120.4960	0.000	1	120.4544	0.357	8	119.9646	0.643	41	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,1|O<2>,3|C<3>}	119.1110	0.000	1	120.4544	0.357	8	119.9646	0.643	41	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){2|H<1>,3|C<3>}	120.3220	0.000	1	120.3220	0.000	1	119.9646	0.643	41	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|O<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	121.6840	0.000	1	121.6840	0.000	1	119.9646	0.643	41	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,1|S<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,1|O<2>,1|S<4>,2|C<3>}	120.5710	0.000	1	120.5710	0.000	1	119.9646	0.643	41	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]C[5]HW)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|W<6>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]C[5]HW){2|H<1>,3|C<3>}	119.3880	0.000	1	119.3880	0.000	1	119.1335	0.130	2	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]C[5]OO)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]C[5]OO){2|H<1>,3|C<3>}	118.8790	0.000	1	118.8790	0.000	1	119.1335	0.130	2	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|C<4>,2|H<1>}	119.4105	0.073	2	119.1420	0.219	3	118.6779	0.499	21	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5]N[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){2|C<3>,2|H<1>}	118.6050	0.000	1	119.1420	0.219	3	118.6779	0.499	21	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5a]C[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,2|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO){2|H<1>,3|C<3>}	119.1440	0.000	1	118.5615	0.216	6	118.6779	0.499	21	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5a]C[5])(C[6a]C[6a]H){1|S<2>,2|H<1>,2|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO){2|H<1>,3|C<3>}	118.4600	0.000	1	118.5615	0.216	6	118.6779	0.499	21	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5a]C[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO){2|H<1>,3|C<3>}	118.4412	0.473	4	118.5615	0.216	6	118.6779	0.499	21	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|C<4>,2|H<1>}	119.6380	0.000	1	119.6380	0.000	1	118.6779	0.499	21	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,2|C<4>,2|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO){1|C<4>,2|C<3>,2|H<1>}	119.4250	0.000	1	119.4250	0.000	1	118.6779	0.499	21	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO){2|H<1>,3|C<3>}	118.1796	0.613	8	118.1796	0.376	8	118.6779	0.499	21	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){2|C<3>,2|H<1>}	119.4705	0.623	2	119.4705	0.388	2	118.6779	0.499	21	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:B[5]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:B[5]-4:	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]F)(B[5]O[5]O)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]F)(B[5]O[5]OO)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]F)(B[5]O[5]O){1|C<3>,1|O<2>,1|O<3>,2|F<1>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(F){1|B<4>,1|C<3>,1|F<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]F)(B[5]O[5]OO){1|C<3>,1|O<2>,2|F<1>}	119.7490	0.000	1	119.7490	0.000	1	119.7490	0.000	1	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:B[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]N[5]N)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]HN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]N[5]N){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]HN){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	118.6370	0.000	1	118.6664	0.039	5	118.7790	0.068	12	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:B[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]N[5]N)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]HN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]N[5]N){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]HN){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	118.6590	0.000	1	118.6664	0.039	5	118.7790	0.068	12	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:B[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]N[5]N)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]HN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]N[5]N){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]HN){1|N<3>,2|C<3>,2|H<1>}	118.6787	0.279	3	118.6664	0.039	5	118.7790	0.068	12	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:B[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]O[5]O)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]O[5]O){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|O<2>,2|H<1>}	119.2920	0.000	1	119.2920	0.000	1	118.7790	0.068	12	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:B[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]O[5]O)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]O[5]O){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,1|F<1>,1|H<1>,1|O<2>}	118.7873	0.229	6	118.7873	0.053	6	118.7790	0.068	12	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]C){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){2|C<3>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]CC){1|H<1>,1|O<2>,2|C<3>}	121.8055	0.083	2	121.8055	0.007	2	122.3010	0.740	3	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]O){1|C<3>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]HH){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	123.2920	0.000	1	123.2920	0.000	1	122.3010	0.740	3	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:Si[5]-4:	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(Si[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H)(C[5]C[5]H){1|Si<4>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[5,6a]C[5,6a]C[5])(H){1|Si<4>,1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(Si[5]C[5]CC){2|H<1>,3|C<3>}	120.3510	0.000	1	120.3510	0.000	1	120.3510	0.000	1	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]N[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]N[5]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]N[5]HH){1|H<1>,1|O<1>,3|C<3>}	121.7850	0.000	1	121.7850	0.000	1	121.5155	0.145	2	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]O[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]O[5]O){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(H){1|O<2>,2|C<3>,2|C<4>,2|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]O[5]CH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	121.2460	0.000	1	121.2460	0.000	1	121.5155	0.145	2	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(Br)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]O[5]O){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(Br){1|Br<1>,1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH){2|Br<1>,1|C<3>,1|O<1>}	121.6690	0.000	1	121.6690	0.000	1	121.6690	0.000	1	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O){2|Cl<1>,1|C<3>,1|O<2>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]CO){2|Cl<1>,1|C<3>,1|C<4>,1|O<1>}	121.1920	0.000	1	121.1920	0.000	1	121.1920	0.000	1	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|Br<1>,3|C<3>,4|H<1>}	121.4500	0.000	1	121.3210	0.033	2	122.6008	1.641	6	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|C<4>,3|C<3>,4|H<1>}	121.1920	0.000	1	121.3210	0.033	2	122.6008	1.641	6	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(H){1|C<3>,1|O<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	121.7950	0.000	1	121.7950	0.000	1	122.6008	1.641	6	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5])(C[5]N[5]HH)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,2|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]O)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5])(C[5]N[5]HH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	123.7430	0.686	2	123.7430	0.470	2	122.6008	1.641	6	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,2|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]O)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5])(C[5]O[5]HH){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	123.6820	0.000	1	123.6820	0.000	1	122.6008	1.641	6	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:B[5]-4:	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]N[5]OO){1|C<3>,1|C<4>,3|H<1>}	123.2700	0.410	6	123.2700	0.168	6	123.2700	0.168	6	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,4|H<1>}	119.3450	0.000	1	119.0797	0.615	31	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){1|C<3>,3|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,3|H<1>}	120.5770	0.000	1	119.0797	0.615	31	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,4|H<1>}	119.2318	0.583	8	119.0797	0.615	31	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	120.6610	0.000	1	119.0797	0.615	31	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){1|Re<8>,1|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|C<4>,2|H<1>}	120.6990	0.000	1	119.0797	0.615	31	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	118.9947	0.302	6	119.0797	0.615	31	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,2|C<4>,2|H<1>}	119.2813	0.110	6	119.0797	0.615	31	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	117.8070	0.138	3	119.0797	0.615	31	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,2|C<3>,3|C<4>}	118.3143	0.370	4	119.0797	0.615	31	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]B)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]B){1|C<3>,1|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|B<4>,1|C<3>,3|H<1>}	119.9060	0.122	2	119.9060	0.015	2	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,2|C<3>,2|C<4>}	119.9030	0.190	2	119.9030	0.036	2	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Br<1>,1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<2>,1|C<3>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HO){1|C<2>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.9260	0.000	1	121.9260	0.000	1	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Cl<1>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]C[5]HH){1|H<1>,2|C<3>,2|C<4>}	120.7760	0.000	1	120.7760	0.000	1	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]BH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|B<4>,1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]BH){1|C<3>,1|C<4>,3|H<1>}	120.3640	0.000	1	120.3640	0.000	1	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,3|H<1>}	120.2320	0.000	1	120.2320	0.000	1	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<2>,1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<2>,2|H<1>,3|C<3>}	120.5440	0.000	1	120.7050	0.549	3	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	121.5130	0.000	1	120.7050	0.549	3	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	120.0580	0.000	1	120.7050	0.549	3	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO){3|C<3>,3|H<1>}	120.1530	0.000	1	120.1530	0.000	1	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|N<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<3>,2|C<3>,2|H<1>}	119.9820	0.000	1	119.8738	0.272	17	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<1>,2|C<3>,2|H<1>}	119.1720	0.559	3	119.8738	0.272	17	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,3|H<1>}	119.9350	0.000	1	119.8738	0.272	17	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,3|H<1>}	120.2724	0.262	7	119.8738	0.272	17	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,4|H<1>}	119.9225	0.176	2	119.8738	0.272	17	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<3>,2|C<3>,3|H<1>}	119.2400	0.000	1	119.8738	0.272	17	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|H<1>,3|C<3>}	119.3860	0.000	1	119.8738	0.272	17	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|H<1>,4|C<3>}	120.0440	0.000	1	119.8738	0.272	17	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|N<2>,2|C<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){2|C<2>,2|C<3>,2|H<1>}	119.0300	0.000	1	120.2705	3.078	2	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<2>,2|C<3>,2|H<1>}	121.5110	0.000	1	120.2705	3.078	2	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	119.9920	0.000	1	120.1058	0.534	6	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<2>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|Br<1>,2|C<3>,3|H<1>}	119.4365	1.016	2	120.1058	0.534	6	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<4>,2|C<3>,2|H<1>}	120.5900	0.110	3	120.1058	0.534	6	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|P<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP){1|C<4>,2|C<3>,2|H<1>}	120.1070	0.000	1	120.1070	0.000	1	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|F<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	121.2000	0.000	1	121.2000	0.000	1	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]BH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|B<3>,1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]BH){1|C<3>,4|H<1>}	120.2750	0.000	1	120.2750	0.000	1	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<2>,1|C<3>,1|S<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|S<4>,4|H<1>}	119.6750	0.000	1	119.8727	0.321	3	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,4|H<1>}	119.4310	0.000	1	119.8727	0.321	3	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Si<4>,1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|Si<4>,2|C<3>,2|H<1>}	120.5120	0.000	1	119.8727	0.321	3	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO){2|C<3>,3|H<1>}	120.1850	0.354	3	120.1850	0.126	3	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CP)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|P<4>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CP){1|C<3>,1|S<2>,3|H<1>}	119.8080	0.000	1	119.8080	0.000	1	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|B<3>,1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|B<3>,2|C<3>,2|H<1>}	119.6970	0.000	1	120.6672	1.623	18	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|B<3>,1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|B<3>,1|C<3>,3|H<1>}	121.1300	0.000	1	120.6672	1.623	18	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,3|H<1>}	120.7027	0.330	4	120.6672	1.623	18	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|N<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<3>,3|H<1>}	120.5830	0.000	1	120.6672	1.623	18	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|P<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|P<3>,3|H<1>}	119.7060	0.000	1	120.6672	1.623	18	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|P<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|P<4>,3|H<1>}	120.9550	0.000	1	120.6672	1.623	18	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,4|H<1>}	125.3100	0.000	1	120.6672	1.623	18	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,3|H<1>}	120.2272	0.533	8	120.6672	1.623	18	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|C<4>,3|H<1>}	120.5430	0.232	2	120.5430	0.054	2	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|N<3>,1|P<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP){1|C<3>,1|N<3>,3|H<1>}	120.4445	0.019	4	120.2394	0.079	8	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|P<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP){1|C<3>,4|H<1>}	120.1313	0.226	3	120.2394	0.079	8	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|P<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP){1|C<3>,4|H<1>}	119.7430	0.000	1	120.2394	0.079	8	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,1|N<2>,4|H<1>}	122.0760	0.000	1	122.0760	0.000	1	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|N<2>,4|H<1>}	121.3000	0.000	1	122.6840	3.831	2	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	124.0680	0.000	1	122.6840	3.831	2	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.9955	0.470	2	121.0934	0.189	10	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.3320	0.000	1	121.0934	0.189	10	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	120.2320	0.000	1	121.0934	0.189	10	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<2>,4|H<1>}	121.0555	0.139	4	121.0934	0.189	10	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|N<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Cl<1>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	121.3260	0.000	1	121.0934	0.189	10	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<3>,2|C<3>,2|H<1>}	121.8310	0.000	1	121.0934	0.189	10	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|C<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<2>,1|O<1>,2|C<3>,2|H<1>}	122.1760	0.000	1	122.2145	0.003	2	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<1>,4|H<1>}	122.2530	0.000	1	122.2145	0.003	2	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Cl<1>,1|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<1>,4|H<1>}	122.5950	0.000	1	122.4940	0.020	2	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	122.3930	0.000	1	122.4940	0.020	2	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|F<1>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<1>,4|H<1>}	122.7040	0.120	2	122.7040	0.014	2	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|O<1>,3|C<3>,4|H<1>}	122.2110	0.000	1	122.2110	0.000	1	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|C<3>,1|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]2H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	122.7320	0.797	4	122.7320	0.634	4	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HH){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	120.8500	0.000	1	122.0230	1.407	3	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HH){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	123.2220	0.000	1	122.0230	1.407	3	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HH){1|O<1>,2|C<3>,2|H<1>}	121.9970	0.000	1	122.0230	1.407	3	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	122.5260	0.047	2	122.5260	0.002	2	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|O<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	121.2890	0.000	1	121.2490	0.003	2	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	121.2090	0.000	1	121.2490	0.003	2	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|O<1>,4|H<1>}	122.1450	0.189	3	121.7488	0.261	12	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	121.2630	0.000	1	121.7488	0.261	12	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	121.4130	0.000	1	121.7488	0.261	12	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|O<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	121.2250	0.000	1	121.7488	0.261	12	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|O<1>,2|C<3>,2|H<1>}	121.6523	0.890	3	121.7488	0.261	12	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	121.8980	0.000	1	121.7488	0.261	12	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|O<1>,4|H<1>}	121.8975	0.152	2	121.7488	0.261	12	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|O<1>,2|C<3>,2|H<1>}	121.9125	0.811	2	121.6428	0.276	5	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|O<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	121.1070	0.000	1	121.6428	0.276	5	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	121.7290	0.000	1	121.6428	0.276	5	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	121.5530	0.000	1	121.6428	0.276	5	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<2>,1|C<3>,1|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<2>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	121.0690	0.000	1	121.6850	0.212	84	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|F<1>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|F<1>,1|O<1>,2|H<1>}	121.8333	0.329	3	121.6850	0.212	84	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	121.5570	0.331	2	121.6850	0.212	84	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	121.7690	0.253	2	121.6850	0.212	84	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|F<1>,1|O<1>,2|H<1>}	120.8480	0.000	1	121.6850	0.212	84	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	121.8901	0.327	7	121.6850	0.212	84	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|N<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	120.6110	0.000	1	121.6850	0.212	84	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|F<1>,1|H<1>,1|O<1>,2|C<4>}	121.9400	0.000	1	121.6850	0.212	84	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|O<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	121.8790	0.349	2	121.6850	0.212	84	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,2|S<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|S<2>}	120.9800	0.000	1	121.6850	0.212	84	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|F<1>,1|O<1>,3|H<1>}	121.6555	0.210	2	121.6850	0.212	84	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	120.4010	0.226	2	121.6850	0.212	84	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	121.8407	0.310	4	121.6850	0.212	84	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	122.1548	0.212	4	121.6850	0.212	84	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|F<1>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|F<1>,1|O<1>,2|C<3>,2|H<1>}	122.0590	0.000	1	121.6850	0.212	84	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	121.6420	0.000	1	121.6850	0.212	84	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Cl<1>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	121.6290	0.000	1	121.6850	0.212	84	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|S<2>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|H<1>,1|O<1>,1|S<2>,2|C<3>}	122.2260	0.112	3	121.6850	0.212	84	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|S<2>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	121.7080	0.000	1	121.6850	0.212	84	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Se<2>,1|C<3>,1|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Se<2>,1|C<3>,1|C<4>,1|O<1>,2|H<1>}	121.8640	0.040	3	121.6850	0.212	84	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|Br<1>,1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|Br<1>,1|C<3>,1|O<1>,2|H<1>}	121.5740	0.000	1	121.6850	0.212	84	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<1>,2|C<3>,2|H<1>}	121.6296	0.457	32	121.6850	0.212	84	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<2>,2|C<3>,2|H<1>}	121.5520	0.000	1	121.6850	0.212	84	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|I<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,1|I<1>,1|O<1>,2|C<3>}	121.3935	0.296	2	121.6850	0.212	84	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<1>,2|C<3>,3|H<1>}	122.1230	0.000	1	121.6850	0.212	84	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|H<1>,1|O<1>,3|C<3>}	121.9010	0.174	2	121.6850	0.212	84	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<1>,2|H<1>,3|C<3>}	121.9130	0.000	1	121.6850	0.212	84	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	121.6450	0.000	1	121.6850	0.212	84	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|N<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,1|O<1>,4|H<1>}	121.5690	0.000	1	121.2303	0.121	3	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|O<1>,2|C<3>,2|H<1>}	121.0610	0.266	2	121.2303	0.121	3	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	122.1350	0.000	1	121.3940	0.526	5	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	121.3360	0.000	1	121.3940	0.526	5	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|O<1>,2|C<3>,2|H<1>}	121.6075	0.479	2	121.3940	0.526	5	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	120.2840	0.000	1	121.3940	0.526	5	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|P<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP){1|O<1>,2|C<3>,2|H<1>}	121.6020	0.000	1	121.6020	0.000	1	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HS)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|S<2>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HS){1|C<3>,1|O<1>,4|H<1>}	120.9920	0.000	1	120.9920	0.000	1	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<2>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<3>,1|O<1>,4|H<1>}	122.5640	0.000	1	122.5640	0.000	1	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	122.2760	0.000	1	122.2760	0.000	1	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	121.7588	0.295	5	122.0411	0.330	11	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<2>,2|S<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|S<2>}	122.8520	0.935	2	122.0411	0.330	11	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	121.9885	0.344	4	122.0411	0.330	11	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,2|H<1>,3|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]CO){1|C<3>,1|O<1>,4|H<1>}	123.4550	0.000	1	123.4550	0.000	1	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]BH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|B<4>,1|C<3>,1|S<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]BH){1|C<3>,1|P<4>,1|S<3>,2|H<1>}	121.2480	0.000	1	121.2480	0.000	1	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CP)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,1|C<4>,1|P<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CP){1|C<3>,1|P<4>,3|H<1>}	120.9230	0.000	1	120.3600	0.319	3	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CP)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|Pd<4>,1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CP){1|Pd<4>,1|C<3>,1|P<4>,2|H<1>}	120.0785	0.402	2	120.3600	0.319	3	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,1|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	119.9290	0.696	3	119.4349	0.971	43	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,1|N<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<3>,1|P<4>,2|H<1>}	117.7934	0.587	7	119.4349	0.971	43	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,1|N<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<4>,1|P<4>,2|H<1>}	119.9361	0.582	14	119.4349	0.971	43	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,1|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<2>,1|P<4>,2|H<1>}	118.7350	0.284	6	119.4349	0.971	43	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,1|P<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|H<1>,2|P<4>}	120.4430	0.000	1	119.4349	0.971	43	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,1|S<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|P<4>,1|S<2>,2|H<1>}	119.9445	0.513	2	119.4349	0.971	43	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,1|S<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|P<4>,1|S<3>,2|H<1>}	119.9063	0.736	3	119.4349	0.971	43	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|P<3>,3|H<1>}	120.0560	0.091	2	119.4349	0.971	43	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|P<4>,3|H<1>}	120.2913	0.047	3	119.4349	0.971	43	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|P<3>,2|C<3>,2|H<1>}	118.9770	0.000	1	119.4349	0.971	43	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|P<4>,2|C<3>,2|H<1>}	119.8300	0.000	1	119.4349	0.971	43	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|Pd<4>,1|C<3>,1|P<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP){1|Pd<4>,1|C<3>,1|P<4>,2|H<1>}	120.0750	0.000	1	120.0750	0.000	1	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]Ru)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]Ru){2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Ru<6>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Ru<6>,2|C<3>,2|H<1>}	119.7880	0.563	2	119.7880	0.317	2	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]S)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]S){1|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|S<2>,3|H<1>}	121.1240	0.000	1	121.1240	0.000	1	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	120.4865	0.117	2	120.4865	0.014	2	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|Cl<1>,1|Ni<6>,1|C<3>,1|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|C<3>,1|C<4>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]OO){1|Cl<1>,1|Ni<6>,1|C<3>,1|H<1>,1|N<3>}	121.6100	0.000	1	121.6100	0.000	1	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|Zn<4>,1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CN){1|Zn<4>,1|C<3>,1|N<2>,2|H<1>}	121.5005	0.114	2	121.5005	0.013	2	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,1|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	119.9300	0.023	2	120.3794	0.911	16	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,1|N<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	121.5890	0.000	1	120.3794	0.911	16	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,1|N<3>,3|H<1>}	122.5880	0.000	1	120.3794	0.911	16	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|Pd<4>,1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|Pd<4>,1|C<3>,1|N<2>,2|H<1>}	120.9240	0.000	1	120.3794	0.911	16	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|N<2>,2|C<3>,2|H<1>}	120.4930	0.489	2	120.3794	0.911	16	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|N<3>,2|C<3>,2|H<1>}	120.0137	0.803	9	120.3794	0.911	16	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|Fe<5>,1|C<3>,1|N<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HN){1|Fe<5>,1|C<3>,1|N<2>,2|H<1>}	120.4890	0.000	1	121.1005	0.748	2	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|Zn<5>,1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HN){1|Zn<5>,1|C<3>,1|N<3>,2|H<1>}	121.7120	0.000	1	121.1005	0.748	2	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]NN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|Cd<6>,1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]NN){1|Cd<6>,1|C<3>,1|N<2>,2|H<1>}	122.3960	0.116	2	121.9682	0.138	8	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]NN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|Cd<6>,1|C<3>,2|H<1>,2|N<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]NN){1|Cd<6>,1|C<3>,1|N<2>,2|H<1>}	121.9880	0.383	2	121.9682	0.138	8	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]NN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|Co<6>,1|C<3>,2|H<1>,2|N<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]NN){1|Co<6>,1|C<3>,1|N<2>,2|H<1>}	121.7450	0.146	2	121.9682	0.138	8	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]NN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|Fe<6>,1|C<3>,2|H<1>,2|N<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]NN){1|Fe<6>,1|C<3>,1|N<2>,2|H<1>}	121.7440	0.465	2	121.9682	0.138	8	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]NO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|Co<6>,1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]NO){1|Co<6>,1|C<3>,1|N<2>,2|H<1>}	122.6880	0.000	2	122.2430	0.326	4	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]NO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|Ni<4>,1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]NO){1|Ni<4>,1|C<3>,1|N<2>,2|H<1>}	121.7980	0.430	2	122.2430	0.326	4	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,1|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	121.7030	0.000	1	121.7030	0.000	1	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|O<1>,2|C<3>,2|H<1>}	122.4230	0.000	1	122.4230	0.000	1	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a]C[6a])(C[5]N[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a]C[6a])(C[5]N[5]HH){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	121.3910	0.000	1	121.3910	0.000	1	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]N[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]N[5]CH){1|O<1>,2|C<3>,2|H<1>}	121.9890	0.000	1	121.9890	0.000	1	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|C<3>,1|O<1>,3|H<1>}	122.3600	0.000	1	121.6253	0.411	3	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	121.1820	0.000	1	121.6253	0.411	3	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|C<3>,1|O<1>,1|S<4>,2|H<1>}	121.3340	0.000	1	121.6253	0.411	3	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CF)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<2>,1|F<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CF){1|O<1>,2|C<3>,2|H<1>}	121.1870	0.000	1	121.1870	0.000	1	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|O<1>,2|C<3>,2|H<1>}	121.5410	0.000	1	121.7551	0.279	30	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	121.8620	0.097	4	121.7551	0.279	30	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,1|O<2>}	120.6960	0.000	1	121.7551	0.279	30	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	121.6085	0.793	2	121.7551	0.279	30	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|O<1>,1|S<4>,2|H<1>}	122.2265	0.479	2	121.7551	0.279	30	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|O<1>,2|H<1>}	121.1945	0.127	2	121.7551	0.279	30	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|O<1>,3|H<1>}	121.8582	0.649	4	121.7551	0.279	30	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	122.0063	0.862	3	121.7551	0.279	30	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<2>,1|H<1>,1|O<1>,2|C<3>}	122.2805	0.356	2	121.7551	0.279	30	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|O<1>,2|C<3>,2|H<1>}	121.6299	0.412	7	121.7551	0.279	30	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|O<1>,3|H<1>}	121.7435	0.288	2	121.7551	0.279	30	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CN){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	120.4320	0.000	1	120.4320	0.000	1	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	121.0830	1.496	2	121.5927	0.350	15	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	122.4730	0.000	1	121.5927	0.350	15	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	121.7098	0.316	9	121.5927	0.350	15	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO){1|O<1>,2|C<3>,2|H<1>}	121.5400	0.000	1	121.5927	0.350	15	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){2|C<3>,2|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	121.1620	0.267	2	121.5927	0.350	15	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]FF)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,2|F<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]FF){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	122.0550	0.000	1	122.0550	0.000	1	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	121.7634	0.323	20	121.7775	0.217	49	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	122.9930	0.000	1	121.7775	0.217	49	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	120.8750	0.000	1	121.7775	0.217	49	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|O<1>,2|C<3>,2|H<1>}	121.7764	0.485	27	121.7775	0.217	49	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	121.7180	0.182	7	121.8035	0.043	11	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HO){1|O<1>,2|C<3>,2|H<1>}	121.9532	0.179	4	121.8035	0.043	11	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]HH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	122.3353	0.249	4	122.5903	0.287	6	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]HH){1|O<1>,2|C<3>,2|H<1>}	123.1005	0.685	2	122.5903	0.287	6	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]CH){1|C<3>,1|O<1>,3|H<1>}	122.2000	0.281	2	122.2000	0.079	2	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]HH){1|C<3>,1|O<1>,3|H<1>}	122.3800	0.000	1	122.3800	0.000	1	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HN){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	121.3320	0.000	1	121.3320	0.000	1	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CC){2|C<3>,2|H<1>}	119.9650	0.000	1	119.9650	0.000	1	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CO){2|C<3>,2|H<1>}	119.0630	0.000	1	119.0630	0.000	1	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|Br<1>,1|H<1>,2|C<3>}	121.1420	0.000	1	121.1420	0.000	1	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]N){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,1|N<2>,2|H<1>}	121.0680	0.000	1	121.0680	0.000	1	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]N){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|N<2>,2|H<1>}	121.9860	0.780	3	121.9853	0.406	4	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]N){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	121.9830	0.000	1	121.9853	0.406	4	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]N){1|C<2>,1|C<3>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CO){1|C<3>,1|N<2>,2|H<1>}	121.0420	0.000	1	121.0420	0.000	1	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,1|O<1>,2|H<1>}	122.3180	0.000	1	122.3180	0.000	1	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|Br<1>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]O[5]HH){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	120.7875	0.514	2	120.7875	0.264	2	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,1|O<1>,2|H<1>}	121.5635	0.474	2	121.7664	0.271	8	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CC){1|Br<1>,1|C<3>,1|H<1>,1|O<1>}	122.5830	0.000	1	121.7664	0.271	8	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,1|O<1>,2|H<1>}	121.6842	0.472	5	121.7664	0.271	8	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|O<1>,2|H<1>}	121.9702	0.266	4	121.4941	0.486	9	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	120.1050	0.000	1	121.4941	0.486	9	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	121.3653	0.507	4	121.4941	0.486	9	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CO){1|C<3>,1|O<1>,2|H<1>}	122.2570	0.047	2	122.2570	0.002	2	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|Br<1>,1|C<3>,1|H<1>,1|O<1>}	121.9865	0.040	2	121.3373	0.358	6	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,1|O<1>,2|H<1>}	121.6090	0.000	1	121.3373	0.358	6	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	120.9930	0.000	1	121.3373	0.358	6	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	120.7245	0.025	2	121.3373	0.358	6	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|N<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HN){1|C<3>,1|O<1>,2|H<1>}	121.7850	0.000	1	121.7653	0.128	37	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HN){1|C<3>,1|O<1>,2|H<1>}	121.7647	0.363	36	121.7653	0.128	37	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HO){1|C<3>,1|O<1>,2|H<1>}	121.6574	0.575	5	121.6993	0.275	6	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HO){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>}	121.9090	0.000	1	121.6993	0.275	6	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,1|O<1>,2|H<1>}	123.0980	0.341	2	123.0980	0.116	2	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5])(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,1|O<1>,2|H<1>}	123.1590	0.000	1	123.1590	0.000	1	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	122.3367	0.250	4	122.3367	0.062	4	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,1|O<1>,2|H<1>}	122.9710	0.000	1	122.9710	0.000	1	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]CH){1|C<3>,1|O<1>,2|H<1>}	124.7550	0.245	2	124.7550	0.060	2	121.1873	1.370	563	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]Cr)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]Cr){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cr<6>,1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]C[5]CC){1|Cr<6>,2|C<3>,2|H<1>}	117.0930	0.000	1	117.0930	0.000	1	118.3772	2.447	9	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]Hf)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]Hf){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Hf<6>,1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]C[5]CC){1|Hf<6>,2|C<3>,2|H<1>}	117.1690	0.000	1	117.1690	0.000	1	118.3772	2.447	9	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]Mo)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]Mo){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Mo<6>,1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]C[5]CC){1|Mo<6>,2|C<3>,2|H<1>}	117.4050	0.096	2	117.4050	0.009	2	118.3772	2.447	9	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]Pt)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]Pt){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Pt<4>,1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]C[5]CC){1|Pt<4>,2|C<3>,2|H<1>}	118.6810	0.000	1	118.6810	0.000	1	118.3772	2.447	9	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]Rh)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]Rh){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Rh<8>,1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]C[5]CC){1|Rh<8>,2|C<3>,2|H<1>}	117.9960	0.000	1	117.9960	0.000	1	118.3772	2.447	9	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]Ru)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]Ru){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Ru<9>,1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]C[5]CC){1|Ru<9>,2|C<3>,2|H<1>}	117.6940	0.000	1	117.6940	0.000	1	118.3772	2.447	9	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(P[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|P<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(P[5]N[5]OO){1|C<3>,1|O<1>,3|H<1>}	120.9760	0.597	2	120.9760	0.356	2	118.3772	2.447	9	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]2){1|S<4>,2|H<1>,2|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO){2|H<1>,3|C<3>}	118.8370	0.000	1	118.8370	0.000	1	120.0058	0.482	244	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|S<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO){1|C<4>,1|H<1>,3|C<3>}	118.3535	0.059	2	117.6575	1.565	4	120.0058	0.482	244	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]C){2|C<3>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO){2|H<1>,3|C<3>}	116.9615	1.660	2	117.6575	1.565	4	120.0058	0.482	244	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|S<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO){1|C<3>,1|C<4>,3|H<1>}	118.1827	0.652	3	118.3423	0.385	4	120.0058	0.482	244	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]H){2|C<3>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|S<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO){2|C<3>,3|H<1>}	118.8210	0.000	1	118.3423	0.385	4	120.0058	0.482	244	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	121.2200	0.000	1	121.2200	0.000	1	120.0058	0.482	244	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]CO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]CO){2|C<3>,2|H<1>}	117.9830	0.000	1	117.9830	0.000	1	120.0058	0.482	244	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<4>,2|C<3>,2|H<1>}	117.7485	1.244	2	119.2016	1.282	7	120.0058	0.482	244	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|C<4>,2|H<1>}	119.7550	0.000	1	119.2016	1.282	7	120.0058	0.482	244	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){2|C<3>,2|H<1>}	119.6990	0.259	3	119.2016	1.282	7	120.0058	0.482	244	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,2|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|S<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|C<4>,3|H<1>}	120.0620	0.000	1	119.2016	1.282	7	120.0058	0.482	244	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	119.2500	0.000	1	119.2500	0.000	1	120.0058	0.482	244	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|S<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|N<3>,2|H<1>}	119.7167	0.456	10	119.6729	0.208	11	120.0058	0.482	244	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|N<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|N<2>,2|H<1>}	119.2350	0.000	1	119.6729	0.208	11	120.0058	0.482	244	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Ni<6>,1|C<3>,1|F<1>,1|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|Ni<6>,1|C<3>,1|O<1>,2|H<1>}	120.6670	0.000	1	120.6670	0.000	1	120.0058	0.482	244	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]CO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|S<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]CO){1|C<3>,1|O<1>,2|H<1>}	119.7520	0.000	1	119.7520	0.000	1	120.0058	0.482	244	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Br<1>,1|C<3>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|Br<1>,1|C<3>,1|O<1>,2|H<1>}	120.1807	0.414	3	120.1317	0.242	207	120.0058	0.482	244	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	119.9474	0.346	42	120.1317	0.242	207	120.0058	0.482	244	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|I<1>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|I<1>,1|O<1>,2|H<1>}	119.5247	0.584	9	120.1317	0.242	207	120.0058	0.482	244	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|S<2>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|O<1>,1|S<2>,2|H<1>}	118.9820	0.000	1	120.1317	0.242	207	120.0058	0.482	244	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|S<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|O<1>,2|H<1>}	120.1369	0.447	73	120.1317	0.242	207	120.0058	0.482	244	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>,1|S<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|O<2>,2|H<1>}	120.6829	0.307	16	120.1317	0.242	207	120.0058	0.482	244	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,2|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|O<1>,3|H<1>}	120.2148	0.326	25	120.1317	0.242	207	120.0058	0.482	244	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Mn<6>,1|C<3>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|Mn<6>,1|C<3>,1|O<1>,2|H<1>}	120.5780	0.211	2	120.1317	0.242	207	120.0058	0.482	244	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Ni<6>,1|C<3>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|Ni<6>,1|C<3>,1|O<1>,2|H<1>}	119.7820	0.000	1	120.1317	0.242	207	120.0058	0.482	244	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Pd<3>,1|C<3>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|Pd<3>,1|C<3>,1|O<1>,2|H<1>}	120.1165	0.165	2	120.1317	0.242	207	120.0058	0.482	244	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Pd<4>,1|C<3>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|Pd<4>,1|C<3>,1|O<1>,2|H<1>}	120.2073	0.737	18	120.1317	0.242	207	120.0058	0.482	244	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Pd<4>,1|C<3>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,1|S<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|Pd<4>,1|C<3>,1|O<2>,2|H<1>}	120.2723	0.582	6	120.1317	0.242	207	120.0058	0.482	244	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){2|C<3>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|O<1>,2|C<3>,2|H<1>}	120.1559	0.315	9	120.1317	0.242	207	120.0058	0.482	244	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]S)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]S){1|C<3>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|S<2>,1|S<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|S<2>,2|H<1>}	120.0610	0.372	3	120.0610	0.138	3	120.0058	0.482	244	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]O[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]O[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]O[5]N){1|C<3>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<1>,1|O<2>,1|S<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]O[5]OO){1|C<3>,1|N<1>,2|H<1>}	120.7260	0.000	2	120.7260	0.000	2	120.0058	0.482	244	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[6a]-3:C[5]-4:	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]B[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]B[6a]C)(C[5]C[5]HH)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|B<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]B[6a]H)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]B[6a]C)(C[5]C[5]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	122.2940	0.000	1	122.2940	0.000	1	122.2940	0.000	1	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6,6a]H)(H)	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6,6a]H)(H){1|C<3>,1|O<1>,3|C<4>}	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	121.7110	0.000	1	121.9932	0.118	6	122.5909	0.883	9	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6,6a]H)(H)	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6,6a]H)(H){1|C<3>,1|O<1>,3|C<4>}	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	122.0496	0.352	5	121.9932	0.118	6	122.5909	0.883	9	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6,6a]O)(H)	C[5,6a](C[6,6a]C[6,6a]O[6])(C[5,6a]C[6a]C[5])(C[5]N[5]CH)	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6,6a]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C[5,6a](C[6,6a]C[6,6a]O[6])(C[5,6a]C[6a]C[5])(C[5]N[5]CH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	123.7360	0.000	1	123.7360	0.000	1	122.5909	0.883	9	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6,6a]O)(H)	C[5,6a](C[6,6a]C[6,6a]O[6])(C[5,6a]C[6a]C[5])(C[5]O[5]CO)	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6,6a]O)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[5,6a](C[6,6a]C[6,6a]O[6])(C[5,6a]C[6a]C[5])(C[5]O[5]CO){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	123.6810	0.000	1	123.8115	0.034	2	122.5909	0.883	9	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6,6a]O)(H)	C[5,6a](C[6,6a]C[6,6a]O[6])(C[5,6a]C[6a]C[5])(C[5]O[5]CO)	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,3|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6,6a]O)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[5,6a](C[6,6a]C[6,6a]O[6])(C[5,6a]C[6a]C[5])(C[5]O[5]CO){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	123.9420	0.000	1	123.8115	0.034	2	122.5909	0.883	9	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[3,5]-4:	C[5,6a](C[5,6a]C[6a,6a]C[3,5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[3,5]C[3]2C[5])	C[5,6a](C[5,6a]C[6a,6a]C[3,5])(C[6a]C[6a]H)(C[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){2|C<4>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[3,5]C[3]2C[5]){1|C<4>,3|C<3>,7|H<1>}	121.1290	0.000	1	121.1290	0.000	1	121.1290	0.000	1	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|C<4>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H){3|H<1>,6|C<3>}	120.6940	0.000	1	120.6940	0.000	1	121.2780	1.274	5	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HN)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HN){1|C<4>,3|C<3>,3|H<1>}	119.8050	0.000	1	119.8050	0.000	1	121.2780	1.274	5	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	121.1770	0.000	1	121.1770	0.000	1	121.2780	1.274	5	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H){1|O<1>,2|H<1>,6|C<3>}	122.0050	0.000	1	122.0050	0.000	1	121.2780	1.274	5	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]CO)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|H<1>,2|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]CO){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	122.7090	0.000	1	122.7090	0.000	1	121.2780	1.274	5	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:P[5]-4:	C[5,6a](C[5,6a]C[6a,6a]P[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)	C[5,6a](C[5,6a]C[6a,6a]P[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|C<4>,1|P<4>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O){1|H<1>,2|C<4>,6|C<3>}	120.3160	0.000	1	120.3160	0.000	1	120.3160	0.000	1	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]H)(C[5]N[5]O){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	120.2260	0.000	1	120.2260	0.000	1	120.2260	0.000	1	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6,6a]H)(C[5]C[5]O)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[6a,6a]C[6,6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6,6a]H)(C[5]C[5]O){1|N<3>,1|O<1>,2|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[5,6a]C[5,6a]C[5])(H){1|O<1>,3|C<3>,3|C<4>}	C[5,6a](C[6a,6a]C[6,6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]CO){1|H<1>,1|O<1>,3|C<3>,3|O<2>}	123.9540	0.000	1	123.9540	0.000	1	123.9540	0.000	1	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]C){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]CH){3|C<3>,3|H<1>}	119.2450	0.000	1	119.2450	0.000	1	121.3273	3.447	3	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]HH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	122.3685	0.624	2	122.3685	0.390	2	121.3273	3.447	3	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]O){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]O[5]HH){1|H<1>,1|O<1>,4|C<3>}	121.6975	0.344	2	121.6975	0.119	2	121.6975	0.119	2	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:I[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:B[5]-4:	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(I[5]O[5]O)	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]F)(B[5]O[5]2O)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(I[5]O[5]O){1|B<4>,1|C<3>,1|F<1>,1|H<1>,1|O<2>,1|O<3>}	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|O<2>,1|O<3>}	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]F)(B[5]O[5]2O){1|C<3>,1|I<3>,1|O<2>,2|B<4>,2|H<1>}	125.8665	0.338	4	125.8665	0.114	4	125.8665	0.114	4	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:I[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]C)	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]C){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,1|C<4>,2|H<1>}	123.2250	0.000	1	123.2250	0.000	1	123.6238	0.133	6	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:I[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]F)	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]F){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,1|F<1>,2|H<1>}	123.6532	0.375	4	123.6532	0.141	4	123.6238	0.133	6	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:I[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]O)	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]O){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,1|O<2>,2|H<1>}	123.9050	0.000	1	123.9050	0.000	1	123.6238	0.133	6	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6,6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]O[6])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6,6a]H)(C[5,5]C[5]3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6,6a]H)(N[5]C[5]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]O[6])(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6,6a]H)(C[5,5]C[5]3){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	123.2400	0.000	1	123.2400	0.000	1	123.2400	0.000	1	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	118.6800	0.000	1	118.6800	0.000	1	119.6890	0.764	3	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	120.1700	0.000	1	120.1700	0.000	1	119.6890	0.764	3	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Br<1>,1|C<3>,1|O<1>,2|H<1>}	120.2170	0.000	1	120.2170	0.000	1	119.6890	0.764	3	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|Cl<1>,1|C<3>,1|C<4>,1|O<1>}	119.9760	0.000	1	120.1490	0.060	2	120.7758	1.862	6	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	120.3220	0.000	1	120.1490	0.060	2	120.7758	1.862	6	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	119.2020	0.000	1	119.2020	0.000	1	120.7758	1.862	6	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]H){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CC){1|Cl<1>,2|C<3>,2|H<1>}	123.2010	0.000	1	123.2010	0.000	1	120.7758	1.862	6	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|Cl<1>,1|C<3>,1|O<1>,2|H<1>}	120.9770	0.158	2	120.9770	0.025	2	120.7758	1.862	6	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(F)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]C[5]C){1|C<3>,1|C<4>,1|F<1>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(F){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF){1|F<1>,1|H<1>,1|O<1>,2|C<3>}	119.0790	0.000	1	119.0790	0.000	1	119.1452	0.332	5	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(F)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(F){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<1>}	118.5985	0.152	2	118.5985	0.023	2	119.1452	0.332	5	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(F)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(F){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<1>}	119.7250	0.180	2	119.7250	0.032	2	119.1452	0.332	5	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]F)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a,6a]F)(F)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]F)(N[5]C[5]C){1|F<1>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a,6a]F)(F){2|C<4>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]CC){1|C<4>,2|F<1>,4|C<3>}	122.2565	0.542	2	122.2565	0.294	2	122.2565	0.294	2	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5,5]C[5]3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5,5]C[5]3){1|C<4>,1|N<2>,1|O<1>,2|C<2>,2|H<1>,4|C<3>}	123.1360	0.000	1	122.4415	0.965	2	122.4415	0.965	2	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5,5]C[5]3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5,5]C[5]3){1|N<3>,1|O<1>,1|S<1>,2|C<3>,2|C<4>,3|H<1>}	121.7470	0.000	1	122.4415	0.965	2	122.4415	0.965	2	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]2)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	120.9390	0.000	1	121.1295	0.073	2	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]2)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]2){1|C<4>,3|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	121.3200	0.000	1	121.1295	0.073	2	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]B)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]B){1|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|B<4>,1|C<3>,3|H<1>}	123.0220	0.000	1	123.0220	0.000	1	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	122.7020	0.000	1	122.7020	0.000	1	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|O<1>,2|C<3>,2|H<1>}	122.2610	0.280	2	122.2610	0.078	2	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|B<3>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|B<3>,2|C<3>,3|H<1>}	120.4110	0.000	1	120.4110	0.000	1	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	122.6487	0.382	3	122.4995	0.186	4	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	122.0520	0.000	1	122.4995	0.186	4	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]NN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]NN){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	123.0570	0.000	1	123.0570	0.000	1	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	122.3000	0.000	1	122.3000	0.000	1	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<2>,1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	122.0420	0.000	1	122.0420	0.000	1	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<2>,1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	121.8990	0.000	1	122.4395	0.584	2	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	122.9800	0.000	1	122.4395	0.584	2	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,2|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|O<2>,2|C<3>,3|H<1>}	120.0100	0.000	1	120.0100	0.000	1	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]NN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]NN){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	122.3160	0.000	1	122.3160	0.000	1	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|F<1>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	122.1245	0.699	2	122.1245	0.489	2	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6]C[6a])(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6]C[6a])(C[5]C[5]CH){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	123.0370	0.612	2	122.9745	0.193	4	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6]C[6a])(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6]C[6a])(C[5]C[5]CH){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	122.9120	0.436	2	122.9745	0.193	4	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5]C[5]CN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5]C[5]CN){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	122.3050	0.000	1	122.3050	0.000	1	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	122.4775	0.383	2	122.4775	0.146	2	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	124.3120	0.000	1	122.5867	2.246	3	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	121.7240	0.161	2	122.5867	2.246	3	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CN){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	122.1880	0.000	1	122.1880	0.000	1	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C[6])(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C[6])(C[5]C[5]CH){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	123.2970	0.256	2	123.4953	0.151	3	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C[6])(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C[6])(C[5]C[5]CH){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	123.8920	0.000	1	123.4953	0.151	3	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C[6])(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C[6])(C[5]C[5]CO){1|N<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	124.0020	0.000	1	124.0020	0.000	1	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CC){1|O<1>,2|C<3>,2|H<1>}	122.0650	0.000	1	122.0650	0.000	1	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CF)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CF){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	122.7170	0.000	1	122.7170	0.000	1	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CH){1|O<1>,2|C<3>,2|H<1>}	121.7110	0.000	1	121.7110	0.000	1	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	122.1295	0.321	4	121.8795	0.437	15	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	120.3370	0.000	1	121.8795	0.437	15	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	122.1380	0.000	1	121.8795	0.437	15	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	122.3000	0.175	3	121.8795	0.437	15	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	122.1730	0.000	1	121.8795	0.437	15	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	122.3040	0.020	2	121.8795	0.437	15	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	121.6210	0.000	1	121.8795	0.437	15	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	121.3190	0.000	1	121.8795	0.437	15	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){2|C<4>,2|H<1>,3|C<3>}	120.5780	0.000	1	121.8795	0.437	15	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2F)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|F<1>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2F){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	121.8760	0.000	1	122.0645	0.071	2	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2F)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|F<1>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2F){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	122.2530	0.000	1	122.0645	0.071	2	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	121.4910	0.000	1	121.8015	1.009	14	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	121.8900	0.000	1	121.8015	1.009	14	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	121.7440	0.000	1	121.8015	1.009	14	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	121.5040	0.000	1	121.8015	1.009	14	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	122.8370	0.000	1	121.8015	1.009	14	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	121.5170	0.000	1	121.8015	1.009	14	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	123.7050	0.000	1	121.8015	1.009	14	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	122.3180	0.000	1	121.8015	1.009	14	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|S<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|S<1>,3|C<3>,3|H<1>}	122.2750	0.769	2	121.8015	1.009	14	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,4|C<3>,4|H<1>}	121.8280	0.491	2	121.8015	1.009	14	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){2|C<3>,2|C<4>,4|H<1>}	119.7440	0.000	1	121.8015	1.009	14	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){2|C<4>,3|C<3>,3|H<1>}	120.2650	0.000	1	121.8015	1.009	14	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N){1|Br<1>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	121.2340	0.594	2	121.5985	0.313	16	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	121.9220	0.000	1	121.5985	0.313	16	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	122.5780	0.000	1	121.5985	0.313	16	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N){1|F<1>,1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|C<4>}	121.5510	0.000	1	121.5985	0.313	16	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N){1|C<4>,1|F<1>,1|O<1>,2|H<1>,3|C<3>}	121.1070	0.000	1	121.5985	0.313	16	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	122.0160	0.601	2	121.5985	0.313	16	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	121.7580	0.000	1	121.5985	0.313	16	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	121.4735	0.187	2	121.5985	0.313	16	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	120.6040	0.000	1	121.5985	0.313	16	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N){1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	121.8405	0.668	2	121.5985	0.313	16	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	121.8960	0.000	1	121.5985	0.313	16	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	121.0320	0.000	1	121.5985	0.313	16	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|Br<1>,1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	121.8950	0.000	1	121.7489	0.136	14	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	121.4890	0.000	1	121.7489	0.136	14	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|O<1>,3|H<1>,4|C<3>}	120.8110	0.000	1	121.7489	0.136	14	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|C<4>,1|F<1>,1|O<1>,2|H<1>,3|C<3>}	121.8800	0.000	1	121.7489	0.136	14	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	121.9330	0.286	2	121.7489	0.136	14	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|C<4>,1|O<1>,1|S<2>,2|C<3>,3|H<1>}	121.6435	0.394	2	121.7489	0.136	14	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	122.0313	0.324	3	121.7489	0.136	14	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	121.7240	0.000	1	121.7489	0.136	14	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	121.6840	0.000	1	121.7489	0.136	14	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	121.7550	0.000	1	121.7489	0.136	14	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<3>,1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|B<3>,1|C<3>,2|C<4>,2|H<1>}	120.6840	0.000	1	122.4588	1.245	145	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|B<3>,1|C<4>,2|C<3>,2|H<1>}	121.2590	0.000	1	122.4588	1.245	145	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<2>,1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	122.4260	0.000	1	122.4588	1.245	145	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	121.5440	0.000	1	122.4588	1.245	145	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|O<1>,2|C<3>,2|H<1>}	121.3042	0.842	13	122.4588	1.245	145	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	121.2240	0.038	2	122.4588	1.245	145	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	122.2809	0.819	23	122.4588	1.245	145	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|I<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|H<1>,1|I<1>,1|O<1>}	120.6640	1.049	2	122.4588	1.245	145	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	121.1660	0.000	1	122.4588	1.245	145	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,4|H<1>}	120.8820	0.000	1	122.4588	1.245	145	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,4|H<1>}	121.7045	1.074	2	122.4588	1.245	145	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,2|C<4>,2|H<1>}	124.0747	0.377	6	122.4588	1.245	145	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Br<1>,1|H<1>,1|O<1>,2|C<3>}	120.7945	0.303	2	122.4588	1.245	145	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	121.1500	0.000	1	122.4588	1.245	145	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	121.8506	0.515	12	122.4588	1.245	145	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,2|C<3>,3|H<1>}	120.1410	0.000	1	122.4588	1.245	145	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,2|C<3>,2|H<1>}	123.0415	0.831	67	122.4588	1.245	145	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|I<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,1|H<1>,1|I<1>,2|C<3>}	123.4020	0.296	2	122.4588	1.245	145	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	123.7660	0.000	1	122.4588	1.245	145	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,1|H<1>,3|C<3>}	122.1827	0.753	3	122.4588	1.245	145	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,2|C<4>,2|H<1>}	120.9120	0.000	1	122.4588	1.245	145	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,2|C<3>,3|H<1>}	120.6180	0.000	1	122.4588	1.245	145	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|F<1>,1|N<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	122.1700	0.000	1	122.1540	0.515	12	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|F<1>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	122.7280	0.000	1	122.1540	0.515	12	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|F<1>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	122.1757	0.768	9	122.1540	0.515	12	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|F<1>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	121.3690	0.000	1	122.1540	0.515	12	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	122.2320	0.000	1	121.2098	1.050	19	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<1>}	121.8750	0.000	1	121.2098	1.050	19	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	122.4900	0.668	4	121.2098	1.050	19	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|H<1>,3|C<3>}	121.7000	0.000	1	121.2098	1.050	19	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,2|C<4>,3|H<1>}	120.2410	0.876	3	121.2098	1.050	19	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,2|C<3>,3|H<1>}	119.9370	0.000	1	121.2098	1.050	19	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Si<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|Br<1>,1|Si<4>,2|C<3>,2|H<1>}	121.4230	0.000	1	121.2098	1.050	19	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	119.9970	0.000	1	121.2098	1.050	19	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,2|C<3>,3|H<1>}	120.4625	0.223	2	121.2098	1.050	19	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){3|C<3>,3|H<1>}	121.0538	0.417	4	121.2098	1.050	19	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	121.1166	0.743	7	121.6309	0.385	28	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	121.8447	0.497	18	121.6309	0.385	28	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|I<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|C<4>,1|H<1>,1|I<1>,1|O<1>}	121.3660	0.000	1	121.6309	0.385	28	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	121.9110	0.000	1	121.6309	0.385	28	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	121.3660	0.000	1	121.6309	0.385	28	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<2>,1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	121.6440	0.000	1	121.8051	0.423	54	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	123.1180	0.000	1	121.8051	0.423	54	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	121.9428	0.649	8	121.8051	0.423	54	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|O<1>,2|C<3>,2|H<1>}	121.0780	0.000	1	121.8051	0.423	54	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	121.6330	1.129	2	121.8051	0.423	54	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<1>}	121.8370	0.478	2	121.8051	0.423	54	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	121.9587	0.577	28	121.8051	0.423	54	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	121.4160	0.417	3	121.8051	0.423	54	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	122.0960	0.000	1	121.8051	0.423	54	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<4>,2|H<1>,3|C<3>}	120.7340	0.000	1	121.8051	0.423	54	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	121.2765	0.453	2	121.8051	0.423	54	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	121.1953	0.836	3	121.8051	0.423	54	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|F<1>,2|H<1>,3|C<3>}	121.0940	0.000	1	121.8051	0.423	54	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CS)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CS){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	121.6920	0.474	2	121.9677	0.340	3	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CS)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CS){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	122.5190	0.000	1	121.9677	0.340	3	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]FF)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<2>,2|C<3>,2|F<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]FF){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.1300	0.000	1	120.1300	0.000	1	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|C<4>,3|H<1>}	120.8297	0.595	3	121.3132	0.234	40	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	121.7562	0.767	4	121.3132	0.234	40	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	121.8855	0.334	2	121.3132	0.234	40	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<1>,2|C<3>,2|H<1>}	121.3400	0.000	1	121.3132	0.234	40	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|I<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|H<1>,1|I<1>,1|O<1>}	121.7790	0.000	1	121.3132	0.234	40	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,2|C<3>,3|H<1>}	120.9500	0.000	1	121.3132	0.234	40	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<2>,1|C<3>,1|C<4>,3|H<1>}	120.6963	0.109	3	121.3132	0.234	40	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,4|H<1>}	121.1180	0.302	6	121.3132	0.234	40	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,4|H<1>}	121.3801	0.240	8	121.3132	0.234	40	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<3>,2|C<3>,3|H<1>}	121.5940	0.000	1	121.3132	0.234	40	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|S<4>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|S<4>,2|C<3>,3|H<1>}	121.5875	0.350	2	121.3132	0.234	40	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	120.7145	0.409	2	121.3132	0.234	40	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	121.5230	0.232	6	121.3132	0.234	40	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<4>,2|C<3>,3|H<1>}	121.4670	0.000	1	121.4670	0.000	1	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	122.3527	0.072	3	121.5242	0.623	9	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|O<2>,2|C<3>,3|H<1>}	120.9980	0.000	1	121.5242	0.623	9	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.7440	0.320	2	121.5242	0.623	9	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<4>,2|H<1>,3|C<3>}	120.5550	0.591	2	121.5242	0.623	9	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|O<2>,2|H<1>,3|C<3>}	121.0640	0.000	1	121.5242	0.623	9	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HP)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|P<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HP){2|H<1>,3|C<3>}	121.4460	0.000	1	121.4460	0.000	1	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]NO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]NO){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	122.1440	0.000	1	122.1440	0.000	1	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N[6])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N[6])(C[5]C[5]HH){2|C<3>,2|H<1>,4|C<4>}	121.3430	0.047	2	121.3430	0.002	2	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	123.0810	0.000	1	123.0810	0.000	1	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	123.3510	0.075	2	123.3510	0.006	2	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	122.8260	0.000	1	122.8260	0.000	1	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]N[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|N<2>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)(H){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]N[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	120.7400	0.000	1	120.7400	0.000	1	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){2|Cl<1>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CH){1|C<3>,1|O<1>,3|H<1>}	122.4080	0.000	1	122.4080	0.000	1	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|O<1>,3|H<1>}	122.3240	0.000	1	122.3240	0.000	1	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|O<1>,3|H<1>}	122.7590	0.000	1	122.7590	0.000	1	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|C<3>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<1>,3|H<1>}	122.9000	0.000	1	122.9000	0.000	1	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CC){1|C<3>,1|O<1>,3|H<1>}	123.0460	0.000	1	123.0460	0.000	1	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<3>,1|F<1>,1|O<1>,2|H<1>}	121.9830	0.000	1	121.6683	0.075	3	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|Cl<1>,1|C<3>,1|O<1>,2|H<1>}	121.5370	0.000	1	121.6683	0.075	3	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	121.4850	0.000	1	121.6683	0.075	3	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]ClC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]ClC){1|C<3>,1|O<1>,3|H<1>}	123.3877	0.506	3	123.3877	0.256	3	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	121.9690	0.000	1	121.8597	0.036	3	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|Cl<1>,1|O<1>,2|H<1>,3|C<3>}	121.9700	0.000	1	121.8597	0.036	3	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	121.6400	0.000	1	121.8597	0.036	3	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	121.9425	0.148	2	122.0573	0.050	3	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	122.2870	0.000	1	122.0573	0.050	3	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|C<3>,1|F<1>,1|O<1>,2|C<4>,3|H<1>}	122.9940	0.000	1	122.5746	0.244	7	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	122.4930	0.000	1	122.5746	0.244	7	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	122.4425	0.344	2	122.5746	0.244	7	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	123.3700	0.000	1	122.5746	0.244	7	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|O<1>,3|C<3>,4|H<1>}	122.3820	0.000	1	122.5746	0.244	7	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|Cl<1>,1|C<4>,1|F<1>,1|O<1>,2|C<3>,2|H<1>}	121.8980	0.000	1	122.5746	0.244	7	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2S)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2S){1|O<1>,3|C<3>,3|H<1>}	122.0730	0.000	1	122.0730	0.000	1	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Br<1>,1|C<3>,1|O<1>,2|H<1>}	121.1567	0.566	3	122.6091	0.818	23	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|O<1>,3|H<1>}	123.4360	1.133	3	122.6091	0.818	23	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	121.4600	0.000	1	122.6091	0.818	23	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|S<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|S<1>,3|H<1>}	122.9310	0.000	1	122.6091	0.818	23	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,4|H<1>}	121.1540	0.000	1	122.6091	0.818	23	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Br<1>,1|C<3>,1|O<1>,2|H<1>}	122.8720	0.000	1	122.6091	0.818	23	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|O<1>,3|H<1>}	122.5065	0.412	2	122.6091	0.818	23	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|F<1>,2|C<3>,2|H<1>}	123.1710	0.158	2	122.6091	0.818	23	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|N<3>,2|C<3>,2|H<1>}	122.4730	0.000	1	122.6091	0.818	23	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,3|H<1>}	122.9982	0.322	8	122.6091	0.818	23	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|F<1>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF){1|C<3>,1|O<1>,3|H<1>}	121.0270	0.000	1	121.0270	0.000	1	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|F<1>,1|O<1>,2|H<1>}	121.8860	0.000	1	122.1434	0.367	7	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|O<1>,3|H<1>}	122.4098	0.395	5	122.1434	0.367	7	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){3|C<3>,3|H<1>}	121.0690	0.000	1	122.1434	0.367	7	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|O<1>,3|H<1>}	122.3290	0.000	1	122.3937	0.229	7	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|O<1>,3|H<1>}	122.4045	0.523	6	122.3937	0.229	7	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|N<2>,3|H<1>}	121.7490	0.000	1	122.1683	0.359	35	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	120.6230	0.000	1	122.1683	0.359	35	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|Br<1>,1|C<3>,1|O<1>,2|H<1>}	122.0203	1.440	3	122.1683	0.359	35	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|F<1>,1|O<1>,2|H<1>}	122.1950	0.000	1	122.1683	0.359	35	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	121.9350	0.000	1	122.1683	0.359	35	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	122.6850	0.000	1	122.1683	0.359	35	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|O<1>,3|H<1>}	122.2870	0.391	25	122.1683	0.359	35	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|O<1>,3|H<1>}	122.3300	0.000	1	122.1683	0.359	35	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){3|C<3>,3|H<1>}	121.1370	0.000	1	122.1683	0.359	35	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CS)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CS){1|C<3>,1|O<1>,3|H<1>}	121.8170	0.000	1	121.8170	0.000	1	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]FF)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|F<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]FF){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	121.4095	0.063	2	120.8918	0.227	5	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]FF)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|F<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]FF){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	120.5745	0.084	2	120.8918	0.227	5	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]FF)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,2|F<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]FF){1|O<2>,2|C<3>,2|H<1>}	120.4910	0.000	1	120.8918	0.227	5	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,4|H<1>}	121.0847	0.376	4	122.0943	0.373	22	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|F<1>,1|O<1>,2|H<1>}	122.6630	0.000	1	122.0943	0.373	22	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<1>,3|H<1>}	122.3739	0.223	16	122.0943	0.373	22	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	121.0890	0.000	1	122.0943	0.373	22	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|O<1>,3|H<1>}	122.6620	0.000	1	122.6620	0.000	1	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HS)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,1|S<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HS){1|C<3>,1|O<1>,3|H<1>}	122.2090	0.000	1	122.2090	0.000	1	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]NS)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,1|O<1>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]NS){1|C<3>,1|O<1>,3|H<1>}	122.4420	0.000	2	122.4420	0.000	2	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]OO){1|C<3>,1|F<1>,1|O<1>,2|H<1>}	122.2800	0.154	2	122.2800	0.024	2	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]CO){1|C<3>,1|O<1>,3|H<1>}	122.9550	0.000	1	122.9550	0.000	1	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CN){1|C<3>,1|O<1>,3|H<1>}	122.8010	0.000	1	122.8010	0.000	1	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]SS)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|S<2>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]SS){1|C<3>,1|O<1>,3|H<1>}	123.5540	0.000	1	123.5540	0.000	1	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]N)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]N){1|C<3>,1|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.8722	0.519	5	122.0211	0.365	11	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]N)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]N){1|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<2>,4|H<1>}	121.8277	0.306	3	122.0211	0.365	11	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]N)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]N){1|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<3>,4|H<1>}	122.4627	0.888	3	122.0211	0.365	11	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|O<1>,3|H<1>}	126.1520	0.000	1	126.1520	0.000	1	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|O<2>,2|C<3>,3|H<1>}	121.8503	0.434	3	121.8503	0.188	3	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|O<1>,2|C<3>,2|H<1>}	123.9140	0.153	2	123.9140	0.023	2	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]P)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]P){1|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|P<3>,4|H<1>}	121.1650	0.465	2	121.1650	0.216	2	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]Pd)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]Pd){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Pd<4>,2|C<3>,2|H<1>}	122.0178	0.994	8	122.0178	0.988	8	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5]C[5]HN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5]C[5]HN){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	121.9590	0.000	1	121.9590	0.000	1	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<3>,1|S<4>,4|H<1>}	122.4310	0.000	1	122.4310	0.000	1	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|S<4>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	122.0700	0.000	1	122.0700	0.000	1	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|S<4>,2|H<1>}	121.9930	0.000	1	121.9930	0.000	1	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	122.0620	0.173	4	122.0620	0.030	4	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|H<1>,1|O<1>,1|O<2>,1|S<4>}	121.4860	0.000	1	121.6873	0.153	4	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|O<1>,1|S<4>,2|H<1>}	121.4950	0.000	2	121.6873	0.153	4	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	122.2730	0.000	1	121.6873	0.153	4	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<2>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|S<4>,2|C<3>,3|H<1>}	121.4590	0.000	1	121.5884	0.465	10	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|S<4>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	121.4655	0.045	2	121.5884	0.465	10	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|Br<1>,1|S<4>,2|C<3>,2|H<1>}	121.6320	0.000	1	121.5884	0.465	10	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|S<4>,2|C<3>,3|H<1>}	121.6437	0.907	6	121.5884	0.465	10	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|O<1>,1|S<4>,2|H<1>}	121.4760	0.000	1	121.4760	0.000	1	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	122.1608	0.499	4	121.7693	0.208	12	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<2>,1|S<4>,2|H<1>}	121.6857	0.119	3	121.7693	0.208	12	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|S<4>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	121.2320	0.373	2	121.7693	0.208	12	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|S<4>,2|C<3>,2|H<1>}	121.6090	0.000	1	121.7693	0.208	12	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|S<4>,2|C<3>,3|H<1>}	121.9900	0.000	1	121.7693	0.208	12	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|S<4>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|S<4>,2|H<1>,3|C<3>}	121.4690	0.000	1	121.7693	0.208	12	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	120.4730	0.000	1	121.2968	0.271	6	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	120.9400	0.000	1	121.2968	0.271	6	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|N<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,1|S<4>,4|H<1>}	121.8820	0.000	1	121.2968	0.271	6	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|N<4>,1|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,1|O<2>,1|S<4>,3|H<1>}	121.3895	0.149	2	121.2968	0.271	6	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|S<4>,2|C<3>,2|H<1>}	121.7070	0.000	1	121.2968	0.271	6	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	121.4627	0.365	3	121.6357	0.130	7	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|O<2>,5|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|S<4>,4|H<1>}	121.6963	0.386	3	121.6357	0.130	7	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|S<4>,2|C<3>,2|H<1>}	121.9730	0.000	1	121.6357	0.130	7	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HS)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|S<2>,5|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HS){1|C<3>,1|S<4>,4|H<1>}	121.6090	0.000	1	121.6090	0.000	1	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|N<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|S<4>,4|H<1>}	121.7080	0.000	1	121.7080	0.000	1	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]O[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]O[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]O[5]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|C<4>,2|H<1>}	122.0660	0.000	1	122.0660	0.000	1	122.0432	0.840	633	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a,6a]H)(H){2|C<4>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]CC){2|C<4>,2|H<1>,3|C<3>}	124.6870	0.313	2	123.7841	0.491	15	123.4562	0.756	20	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a,6a]H)(H){2|C<4>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]CC){1|C<4>,2|H<1>,4|C<3>}	123.6452	0.638	13	123.7841	0.491	15	123.4562	0.756	20	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]FF)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|H<1>,1|O<1>,2|C<3>,2|F<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a,6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]FF){1|O<1>,3|C<3>,3|H<1>}	122.7150	0.000	1	122.7150	0.000	1	123.4562	0.756	20	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]N)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]N){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a,6a]H)(H){1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H){1|N<3>,3|H<1>,6|C<3>}	122.5043	0.656	3	122.5043	0.430	3	123.4562	0.756	20	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a,6a]H)(H){1|S<4>,2|C<3>,2|C<4>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H){1|S<4>,4|H<1>,5|C<3>}	122.1340	0.000	1	122.1340	0.000	1	123.4562	0.756	20	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:I-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]I)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(I)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]I)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(I){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|I<1>,1|O<1>,2|H<1>}	121.7675	0.217	2	121.7675	0.047	2	121.7675	0.047	2	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(N[5]C[5]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(N[5]C[5]C){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]N[5])(H){3|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(C[5]C[5]CC){2|C<3>,2|C<4>,2|H<1>}	121.5980	0.000	1	121.5980	0.000	1	121.6680	0.010	2	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(N[5]C[5]S)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(N[5]C[5]S){2|C<3>,5|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(H){1|H<1>,1|S<4>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH){1|S<4>,2|C<3>,3|H<1>}	121.7380	0.000	1	121.7380	0.000	1	121.6680	0.010	2	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:P[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]N[5]C)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]N[5]C){2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<2>,2|C<3>,2|H<1>}	120.8400	0.000	1	120.8400	0.000	1	120.7350	0.022	2	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:P[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]N[5]Cl)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]N[5]Cl){2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|Cl<1>,2|C<3>,2|H<1>}	120.6300	0.000	1	120.6300	0.000	1	120.7350	0.022	2	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:S[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]O)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]O){1|C<3>,1|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|O<1>,3|H<1>}	123.0940	0.000	1	123.0940	0.000	1	123.0940	0.000	1	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:I[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(I[5]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(I[5]C[6a]O[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]CC){2|C<3>,2|H<1>}	123.4950	0.000	1	123.4950	0.000	1	123.4950	0.000	1	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Ru<9>,1|C<3>,1|N<2>,1|N<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Ru<9>,2|C<3>,2|H<1>}	123.7120	0.000	1	123.7120	0.000	1	121.9218	0.825	32	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,4|H<1>}	122.1720	0.000	1	122.1720	0.000	1	121.9218	0.825	32	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]B[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]B[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]B[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]B[5]HH){1|N<3>,2|C<3>,2|H<1>}	121.4870	0.252	2	121.4870	0.063	2	121.9218	0.825	32	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<1>,2|C<3>,2|H<1>}	122.8250	0.491	4	122.8250	0.241	4	121.9218	0.825	32	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]HH){1|O<1>,2|C<3>,2|H<1>}	122.3230	0.010	2	122.3230	0.000	2	121.9218	0.825	32	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|O<1>,3|H<1>,4|C<3>}	121.9040	0.000	1	121.9040	0.000	1	121.9218	0.825	32	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	122.1010	0.000	1	122.1010	0.000	1	121.9218	0.825	32	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	120.7310	0.000	1	120.5700	0.052	2	121.9218	0.825	32	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,4|H<1>}	120.4090	0.000	1	120.5700	0.052	2	121.9218	0.825	32	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){4|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){3|C<3>,3|H<1>}	120.2430	0.000	1	120.2430	0.000	1	121.9218	0.825	32	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|O<1>,2|C<3>,2|H<1>}	121.9310	0.006	2	121.9310	0.000	2	121.9218	0.825	32	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,4|H<1>}	121.4305	0.162	2	121.8295	0.777	15	121.9218	0.825	32	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|H<1>,1|O<1>,2|C<3>}	121.5280	0.000	1	121.8295	0.777	15	121.9218	0.825	32	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<1>,2|C<3>,2|H<1>}	122.4472	0.318	4	121.8295	0.777	15	121.9218	0.825	32	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|I<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,1|I<1>,1|O<1>,2|C<3>}	122.4420	0.000	1	121.8295	0.777	15	121.9218	0.825	32	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,4|H<1>}	121.6965	1.159	6	121.8295	0.777	15	121.9218	0.825	32	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	120.6430	0.000	1	121.8295	0.777	15	121.9218	0.825	32	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[5,6a](C[5,6a]C[6a]P[5])(N[5]C[6a]B[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]B[5]CC)	C[5,6a](C[5,6a]C[6a]P[5])(N[5]C[6a]B[5])(C[6a]C[6a]H){2|C<4>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]B[5]CC){1|C<4>,1|H<1>,2|C<3>,2|F<1>}	117.7100	0.000	1	117.7100	0.000	1	117.7100	0.000	1	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:P[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]N[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]HH){2|H<1>,3|C<3>}	120.3030	0.000	1	120.3030	0.000	1	120.3030	0.000	1	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5]B[5x3,5x5,20x6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5]B[5x3,5x5,20x6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<6>,2|C<4>,3|H<1>,4|B<6>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<6>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|B<6>,2|C<3>,2|H<1>}	119.4110	0.000	1	119.4110	0.000	1	119.4450	0.002	2	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5]C[5x3,5x5,20x6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5]C[5x3,5x5,20x6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<6>,4|B<6>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|C<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<6>,3|H<1>}	119.4790	0.000	1	119.4790	0.000	1	119.4450	0.002	2	121.3032	1.851	1704	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:5:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:I[5]-5:	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]O3)	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,2|H<1>,3|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|I<5>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]O3){1|C<3>,1|O<1>,2|H<1>}	118.2410	0.000	1	118.2410	0.000	1	118.2410	0.000	1	118.2410	0.000	1	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]O)(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]P[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]O)(N[6a]C[6a]){2|H<1>,5|C<3>}	118.2065	0.401	2	118.2065	0.161	2	118.2065	0.161	2	119.4437	1.756	9	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HH)(N[6a]C[6a])	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HH)(N[6a]C[6a]){1|C<3>,1|O<1>,4|H<1>}	120.1640	0.000	1	120.1640	0.000	1	120.4890	0.211	2	119.4437	1.756	9	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]O[5]CH)(N[6a]C[6a])	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|N<2>,1|O<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]O[5]CH)(N[6a]C[6a]){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	120.8140	0.000	1	120.8140	0.000	1	120.4890	0.211	2	119.4437	1.756	9	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:O[6a]-2:	C[5,6a](C[5,6a]O[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]O[5]CC)(O[6a]C[6a])	C[5,6a](C[5,6a]O[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,2|O<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]O[5]CC)(O[6a]C[6a]){1|C<3>,1|H<1>,2|O<1>}	120.3870	0.445	2	120.3870	0.198	2	120.3870	0.198	2	119.4437	1.756	9	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-4:O[6a]-2:	C[5,6a](C[5,6a]O[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[6a]C[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(O[6a]C[6a,6a])	C[5,6a](C[5,6a]O[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[6a]C[5]){7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(O[6a]C[6a,6a]){1|O<1>,8|C<3>}	120.8600	0.000	1	120.8600	0.000	1	120.8600	0.000	1	119.4437	1.756	9	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(N[6a]C[6a])	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(N[6a]C[6a]){4|C<3>,4|H<1>}	117.9840	0.427	2	117.9840	0.182	2	117.9840	0.182	2	119.4437	1.756	9	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]Se[5])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]2)(C[6a]C[5,6a]H)	C[5,6a](C[5,5]C[5,5]Se[5])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[5])(H){1|Se<2>,1|C<4>,6|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]2)(C[6a]C[5,6a]H){1|Se<2>,1|H<1>,7|C<3>}	122.1280	0.000	1	122.1280	0.000	1	122.1280	0.000	1	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a](C[5,5]N[5,5]N[5])(C[5,6a]C[6a]B[5])(C[6a]C[6a]F)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5]N[5,5]C[6a]2)(C[6a]C[6a]F)	C[5,6a](C[5,5]N[5,5]N[5])(C[5,6a]C[6a]B[5])(C[6a]C[6a]F){1|C<4>,2|F<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(F){1|B<4>,1|C<3>,1|F<1>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5]N[5,5]C[6a]2)(C[6a]C[6a]F){1|N<3>,2|F<1>,6|C<3>}	120.0000	0.000	1	120.0000	0.000	1	120.0000	0.000	1	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a](C[5,5]N[5,5]N[5])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5]N[5,5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,5]N[5,5]N[5])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|B<4>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5]N[5,5]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	122.6260	0.516	4	122.6260	0.266	4	122.8778	0.517	5	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a](C[5,5]N[5,5]S[5])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5]N[5,5]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,5]N[5,5]S[5])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5]N[5,5]C[6a]2)(C[6a]C[6a]H){1|S<2>,2|H<1>,6|C<3>}	123.8850	0.000	1	123.8850	0.000	1	122.8778	0.517	5	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	119.8500	0.000	1	119.8500	0.000	1	120.4999	0.650	23	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	120.4840	0.170	2	120.4840	0.029	2	120.4999	0.650	23	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,2|O<2>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	120.6220	0.508	2	120.6220	0.258	2	120.4999	0.650	23	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	120.4830	0.036	3	120.3824	0.269	9	120.4999	0.650	23	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|O<2>,2|C<3>,3|H<1>}	121.4600	0.000	1	120.3824	0.269	9	120.4999	0.650	23	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	119.5470	0.000	1	120.3824	0.269	9	120.4999	0.650	23	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	120.2465	0.248	4	120.3824	0.269	9	120.4999	0.650	23	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|O<2>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H){1|O<2>,2|C<3>,3|H<1>}	119.9050	2.333	2	119.9050	5.445	2	120.4999	0.650	23	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]N[5,5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]N[5,5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.3580	0.045	2	121.3580	0.002	2	120.4999	0.650	23	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HN)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|N<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HN)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	121.1490	0.000	1	121.1490	0.000	1	120.4999	0.650	23	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|P<4>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|P<4>,2|C<3>}	120.4710	0.000	1	120.4710	0.000	1	120.4999	0.650	23	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	119.8910	0.212	2	119.8910	0.045	2	120.4999	0.650	23	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]N[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]CH)(C[6a]C[6a]H)	C[5,6a](C[5,5]N[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.0660	0.000	1	122.0660	0.000	1	120.4999	0.650	23	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(P[5]C[5,5]C[6a]Se)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|Se<1>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(P[5]C[5,5]C[6a]Se)(C[6a]C[6a]H){2|H<1>,5|C<3>}	117.6140	0.000	1	117.6140	0.000	1	119.4404	0.952	7	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]P[5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(P[5]C[5,5]C[6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]P[5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|P<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(P[5]C[5,5]C[6a]O)(C[6a]C[6a]H){1|P<4>,2|H<1>,4|C<3>}	120.5260	0.000	1	120.5260	0.000	1	119.4404	0.952	7	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]S[5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(P[5]C[5,5]C[6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]S[5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(P[5]C[5,5]C[6a]C)(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	120.3700	0.000	1	120.3700	0.000	1	119.4404	0.952	7	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]Si[5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(P[5]C[5,5]CO)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]Si[5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(P[5]C[5,5]CO)(C[6a]C[6a]H){1|Si<4>,2|C<3>,2|H<1>}	118.9100	0.000	1	118.9100	0.000	1	119.4404	0.952	7	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]Si[5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(P[5]C[5,5]C[6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]Si[5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(P[5]C[5,5]C[6a]O)(C[6a]C[6a]H){1|Si<4>,2|H<1>,4|C<3>}	119.5975	0.056	2	119.5975	0.003	2	119.4404	0.952	7	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(P[5]C[5,5]C[6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(P[5]C[5,5]C[6a]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	119.4680	0.000	1	119.4680	0.000	1	119.4404	0.952	7	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]P[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]C[5,5]OO)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]P[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]C[5,5]OO)(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	119.3150	0.000	1	119.2825	0.002	2	118.7180	0.357	6	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]P[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]C[5,5]OO)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]P[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]C[5,5]OO)(C[6a]C[6a]H){1|P<3>,2|C<3>,2|H<1>}	119.2500	0.000	1	119.2825	0.002	2	118.7180	0.357	6	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]Si[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]C[5,5]OO)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]Si[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]C[5,5]OO)(C[6a]C[6a]H){1|Si<4>,2|C<3>,2|H<1>}	119.0480	0.000	1	119.0480	0.000	1	118.7180	0.357	6	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]C[5,5]OO)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]C[5,5]OO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.4625	0.077	2	118.4625	0.006	2	118.7180	0.357	6	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a](C[5,5]N[5,5]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]N[5,5]OO)(C[6a]C[6a]H)	C[5,6a](C[5,5]N[5,5]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|O<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]N[5,5]OO)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	117.7700	0.000	1	117.7700	0.000	1	118.7180	0.357	6	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]Se[5])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]Se[5])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|Se<2>,1|Si<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[6a]H){1|Se<2>,2|C<3>,2|H<1>}	121.2290	0.221	2	121.2290	0.049	2	121.2290	0.049	2	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]CC)(C[6a]C[5,6a]H)	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(H){1|S<2>,3|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]CC)(C[6a]C[5,6a]H){1|H<1>,1|S<2>,3|C<3>}	121.7087	0.254	6	121.7087	0.065	6	121.9790	0.177	11	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a]2)(C[6a]C[5,6a]H)	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(H){1|C<4>,1|S<2>,6|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a]2)(C[6a]C[5,6a]H){1|H<1>,1|S<2>,7|C<3>}	122.3034	0.348	5	122.3034	0.121	5	121.9790	0.177	11	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]Si[5])(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(Si[5]C[5,5a]CC)(C[6a]C[5,6a]H)	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H){1|Si<4>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]Si[5])(H){1|Si<4>,1|S<2>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(Si[5]C[5,5a]CC)(C[6a]C[5,6a]H){1|H<1>,1|S<2>,3|C<3>}	121.3170	0.000	1	121.3170	0.000	1	121.3170	0.000	1	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a,6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(Si[5]C[5,5a]C[6a]C)(C[6a]C[6a,6a]H)	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a,6a]H){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(H){1|Si<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(Si[5]C[5,5a]C[6a]C)(C[6a]C[6a,6a]H){1|H<1>,1|N<3>,5|C<3>}	119.9225	0.237	2	119.9225	0.056	2	119.9225	0.056	2	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,5a]N[5,5a]N[5a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5,5]N[5,5a]N[5]2)(C[6a]C[6a]H)	C[5,6a](C[5,5a]N[5,5a]N[5a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,2|N<2>,3|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5,5]N[5,5a]N[5]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	120.2460	0.000	1	120.2460	0.000	1	120.2460	0.000	1	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5,6]N[5,5a]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5,6]N[5,5a]C[6]2)(C[6a]C[6a]H){4|H<1>,5|C<3>}	118.6880	0.288	2	118.6880	0.083	2	120.0638	1.227	6	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,5a]N[5,5a]N[5a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5,6]N[5,5a]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,5a]N[5,5a]N[5a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5,6]N[5,5a]C[6]2)(C[6a]C[6a]H){1|N<2>,4|C<3>,4|H<1>}	120.7518	0.353	4	120.7518	0.125	4	120.0638	1.227	6	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	120.3140	0.492	2	120.3140	0.242	2	120.7618	0.420	29	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]HH)(C[6a]C[6a]H)	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]HH)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	121.7640	0.000	1	121.7640	0.000	1	120.7618	0.420	29	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	119.7410	0.000	1	119.7410	0.000	1	120.7618	0.420	29	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]HH)(C[6a]C[6a]H)	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|S<2>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]HH)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	120.1310	0.000	1	120.1310	0.000	1	120.7618	0.420	29	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a]2)(C[6a]C[6a]H){1|S<2>,2|H<1>,6|C<3>}	121.3780	0.000	1	121.3780	0.000	1	120.7618	0.420	29	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]HH)(C[6a]C[6a]H)	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]HH)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	120.9840	0.000	2	120.9840	0.000	2	120.7618	0.420	29	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5a]C[5a,5a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,5a]C[5a,5a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>,2|S<2>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]CC)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|S<2>,2|C<3>}	121.0865	0.787	2	121.0865	0.619	2	120.7618	0.420	29	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]CH)(C[6a]C[6a]H)	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.1260	0.691	3	121.1260	0.478	3	120.7618	0.420	29	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]C[4]H)(C[6a]C[6a]H)	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]C[4]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	120.5460	0.000	1	120.5460	0.000	1	120.7618	0.420	29	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]C[6]H)(C[6a]C[6a]H)	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]C[6]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	120.8878	0.261	6	120.8878	0.068	6	120.7618	0.420	29	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]C[6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|N<2>,3|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	119.3210	0.556	2	119.3210	0.309	2	120.7618	0.420	29	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]C[6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]C[6a]H)(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	120.7400	0.000	1	120.7400	0.000	1	120.7618	0.420	29	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]HH)(C[6a]C[6a]H)	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,2|N<2>,4|H<1>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]HH)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	120.7815	0.109	4	120.7800	0.009	5	120.7618	0.420	29	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]HH)(C[6a]C[6a]H)	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.7740	0.000	1	120.7800	0.009	5	120.7618	0.420	29	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5a]N[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]CH)(C[6a]C[6a]H)	C[5,6a](C[5,5a]N[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]CH)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	121.7760	0.000	1	121.7760	0.000	1	120.7618	0.420	29	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(P[5]C[5,5a]C[6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(P[5]C[5,5a]C[6a]C)(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	120.0290	0.000	1	120.0290	0.000	1	120.1225	0.036	4	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(P[5]C[5,5a]C[6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(P[5]C[5,5a]C[6a]O)(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	120.1537	0.218	3	120.1537	0.047	3	120.1225	0.036	4	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(S[5]C[5,5a]OO)(C[6a]C[6a]H)	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(S[5]C[5,5a]OO)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	119.4030	0.000	1	118.6643	0.581	3	118.7462	0.364	6	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(S[5]C[5,5a]OO)(C[6a]C[6a]H)	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|N<3>,1|S<2>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(S[5]C[5,5a]OO)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	118.2950	0.585	2	118.6643	0.581	3	118.7462	0.364	6	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(S[5]C[5,5a]OO)(C[6a]C[6a]H)	C[5,6a](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(S[5]C[5,5a]OO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.4360	0.000	1	119.4360	0.000	1	118.7462	0.364	6	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(S[5]N[5,5a]OO)(C[6a]C[6a]H)	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(S[5]N[5,5a]OO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.5240	0.256	2	118.5240	0.066	2	118.7462	0.364	6	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(Si[5]C[5,5a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(Si[5]C[5,5a]CC)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	119.3370	0.000	1	120.0604	0.195	7	120.2024	0.322	9	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(Si[5]C[5,5a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(Si[5]C[5,5a]CC)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	120.2490	0.000	2	120.0604	0.195	7	120.2024	0.322	9	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(Si[5]C[5,5a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|Si<4>,1|C<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(Si[5]C[5,5a]CC)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	119.9530	0.000	1	120.0604	0.195	7	120.2024	0.322	9	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(Si[5]C[5,5a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(Si[5]C[5,5a]CC)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	120.2117	0.496	3	120.0604	0.195	7	120.2024	0.322	9	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(Si[5]C[5,5a]C[6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(Si[5]C[5,5a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	120.0780	0.000	1	120.0780	0.000	1	120.2024	0.322	9	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(Si[5]C[5,5a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(Si[5]C[5,5a]CC)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	121.3210	0.000	1	121.3210	0.000	1	120.2024	0.322	9	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(Cl){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	118.4120	0.000	1	118.4120	0.000	1	118.4120	0.000	1	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]C[5,6]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]C[5,6]C[6a]2)(C[6a]C[6a]H){3|H<1>,7|C<3>}	122.2740	0.000	1	122.2740	0.000	1	122.4465	0.824	20	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]C[5,6]N[6]C)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]C[5,6]N[6]C)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	121.6080	0.000	1	121.6080	0.000	1	122.4465	0.824	20	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|B<4>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	121.7827	0.547	4	121.7827	0.299	4	122.4465	0.824	20	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,7|C<3>}	122.1450	0.000	1	122.7411	0.460	12	122.4465	0.824	20	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|F<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]C[6a]2)(C[6a]C[6a]H){1|F<1>,1|H<1>,7|C<3>}	122.4240	0.076	2	122.7411	0.460	12	122.4465	0.824	20	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	122.8778	0.735	9	122.7411	0.460	12	122.4465	0.824	20	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]Cl2)(C[6a]C[6a]H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){2|Cl<1>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]Cl2)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	120.7580	0.000	1	120.7580	0.000	1	122.4465	0.824	20	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,6|C<3>}	124.2660	0.000	1	124.2660	0.000	1	122.4465	0.824	20	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.4010	0.000	1	121.4010	0.000	1	120.1040	0.608	41	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.8120	0.024	4	119.8120	0.001	4	120.1040	0.608	41	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HO)(C[6a]C[6a]Br)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|Cl<1>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HO)(C[6a]C[6a]Br){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.3380	0.000	1	121.3380	0.000	1	120.1040	0.608	41	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|F<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]F)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	120.6175	0.047	2	120.6175	0.002	2	120.1040	0.608	41	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|P<4>,3|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	119.7840	0.000	1	119.9780	0.167	4	120.1040	0.608	41	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|S<2>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.5270	0.000	1	119.9780	0.167	4	120.1040	0.608	41	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,3|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	120.4630	0.000	1	119.9780	0.167	4	120.1040	0.608	41	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<2>,2|C<3>,2|H<1>}	120.1380	0.000	1	119.9780	0.167	4	120.1040	0.608	41	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,4|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	120.2465	0.216	2	119.6185	0.545	4	120.1040	0.608	41	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	118.9905	0.104	2	119.6185	0.545	4	120.1040	0.608	41	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CN)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>,3|N<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CN)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	118.9040	0.000	1	118.9040	0.000	1	120.1040	0.608	41	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	119.7590	0.000	1	120.5378	0.392	4	120.1040	0.608	41	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	120.6320	0.000	1	120.5378	0.392	4	120.1040	0.608	41	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	120.8800	0.571	2	120.5378	0.392	4	120.1040	0.608	41	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HO)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HO)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.4070	0.000	1	119.9904	0.234	8	120.1040	0.608	41	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HO)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HO)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	119.5350	0.000	1	119.9904	0.234	8	120.1040	0.608	41	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HO)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HO)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.5570	0.000	1	119.9904	0.234	8	120.1040	0.608	41	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HO)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HO)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	119.5650	0.284	2	119.9904	0.234	8	120.1040	0.608	41	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HO)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HO)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	120.4313	0.147	3	119.9904	0.234	8	120.1040	0.608	41	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HP)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|P<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HP)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	120.2440	0.000	1	120.2440	0.000	1	120.1040	0.608	41	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]Os2)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Os<5>,1|Os<6>,1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]Os2)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	119.9790	0.020	2	119.9790	0.000	2	120.1040	0.608	41	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,1|N<3>,3|C<3>}	119.0780	0.000	1	119.4797	0.125	3	120.1040	0.608	41	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	119.6805	0.090	2	119.4797	0.125	3	120.1040	0.608	41	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	121.4630	0.000	1	121.4630	0.000	1	120.1040	0.608	41	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	121.5350	0.000	1	121.5350	0.000	1	120.1040	0.608	41	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	122.1960	0.000	1	122.1960	0.000	1	120.1040	0.608	41	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	119.6590	0.000	1	119.6590	0.000	1	120.1040	0.608	41	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]C[3]C)(C[6a]C[6a]H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]C[3]C)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	119.0810	0.000	1	119.0810	0.000	1	120.1040	0.608	41	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]Si[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]Si[5,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6]Si[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|F<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]F)(H){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]Si[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	119.1040	0.000	1	119.1040	0.000	1	120.1040	0.608	41	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]C[5,6]OO)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]C[5,6]OO)(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	116.8925	0.035	2	116.8925	0.001	2	118.4666	1.513	20	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]C[5,6]OO)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]C[5,6]OO)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	120.3920	0.000	1	120.3920	0.000	1	118.4666	1.513	20	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]C[5,6]OO)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>,2|O<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]C[5,6]OO)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	120.8760	0.000	1	120.8760	0.000	1	118.4666	1.513	20	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,6]P[6,6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]C[5,6]OO)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]P[6,6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,3|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]C[5,6]OO)(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	118.0870	0.847	2	118.0870	0.718	2	118.4666	1.513	20	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	118.4533	0.823	6	118.3439	0.977	13	118.4666	1.513	20	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.5077	1.040	6	118.3439	0.977	13	118.4666	1.513	20	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	116.7050	0.000	1	118.3439	0.977	13	118.4666	1.513	20	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H)	C[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|S<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	119.6340	0.000	1	119.6340	0.000	1	118.4666	1.513	20	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:B[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(B[5,6a]N[5,6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]B[5,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]B[5,6a]C[6a])(C[5]N[5,6a]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5,6a]N[5,6a]2)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|B<3>,4|H<1>}	C[6a](C[5,6a]B[5,6a]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[5,6a](C[5,6a]B[5,6a]C[6a])(C[5]N[5,6a]HH)(C[6a]C[6a]H){1|B<3>,1|C<3>,1|N<3>,2|H<1>}	118.7603	0.220	3	118.7603	0.048	3	118.7603	0.048	3	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:B[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	118.6670	0.000	1	119.3304	0.146	5	118.8650	0.584	8	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:B[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]N[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	119.4963	0.104	4	119.3304	0.146	5	118.8650	0.584	8	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:B[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]N[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	118.0893	0.554	3	118.0893	0.307	3	118.8650	0.584	8	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]Si[5])(C[5,5]C[5,5]S[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]Si[5])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[6a]Si[5])(C[5,5]C[5,5]S[5])(C[6a]C[5,6a]H){1|Si<4>,1|H<1>,2|C<4>,2|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]Si[5])(H){1|Si<4>,1|S<4>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[5,6a]H){1|H<1>,1|S<4>,3|C<3>}	121.5720	0.000	1	121.5720	0.000	1	121.5720	0.000	1	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5,5]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5,5]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	121.3370	0.000	1	121.3370	0.000	1	121.3370	0.000	1	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]S[5])(C[5,5]C[5,5]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]C[5,5]OO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]S[5])(C[5,5]C[5,5]2)(C[6a]C[6a]H){2|H<1>,2|O<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]C[5,5]OO)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	119.5085	0.045	2	119.5085	0.002	2	119.5085	0.002	2	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]Si[5])(C[5,5]C[5,5]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]Si[5])(C[5,5]C[5,5]P[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	121.1715	0.006	2	120.7643	0.497	3	121.0380	0.631	4	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]Si[5])(C[5,5]C[5,5]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]Si[5])(C[5,5]C[5,5]P[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	119.9500	0.000	1	120.7643	0.497	3	121.0380	0.631	4	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]Si[5])(C[5,5]C[5,5]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]Si[5])(C[5,5]C[5,5]S[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	121.8590	0.000	1	121.8590	0.000	1	121.0380	0.631	4	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H){1|C<4>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[5,6a]H){1|H<1>,4|C<3>}	122.1300	0.387	3	121.7246	0.216	7	121.5507	0.296	10	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H){1|C<4>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[5,6a]H){1|H<1>,4|C<3>}	121.2290	0.000	1	121.7246	0.216	7	121.5507	0.296	10	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H){3|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[5,6a]H){1|H<1>,4|C<3>}	121.4843	0.206	3	121.7246	0.216	7	121.5507	0.296	10	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H){1|C<4>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[5,6a]H){1|H<1>,8|C<3>}	121.3180	0.692	2	121.1450	0.329	3	121.5507	0.296	10	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H){3|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[5,6a]H){1|H<1>,8|C<3>}	120.7990	0.000	1	121.1450	0.329	3	121.5507	0.296	10	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]S)(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[5,6a]H){1|P<4>,1|S<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[5,6a]C[5,6a]2)(H){1|P<4>,1|S<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]S)(C[6a]C[5,6a]H){1|H<1>,6|C<3>}	119.5595	0.387	2	119.5595	0.150	2	119.5595	0.150	2	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H){1|Si<4>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[5,6a]C[5,6a]2)(H){1|Si<4>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[5,6a]H){1|H<1>,4|C<3>}	119.8770	0.000	1	119.8770	0.000	1	119.6255	0.033	4	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]2)(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H){1|Si<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[5,6a]C[5,6a]2)(H){1|Si<4>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]2)(C[6a]C[5,6a]H){1|H<1>,8|C<3>}	119.6340	0.000	1	119.6340	0.000	1	119.6255	0.033	4	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]C)(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H){1|Si<4>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[5,6a]C[5,6a]2)(H){1|Si<4>,1|C<4>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]C)(C[6a]C[5,6a]H){1|H<1>,6|C<3>}	119.4955	0.032	2	119.4955	0.001	2	119.6255	0.033	4	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,5]C[6a])(C[6a]C[6a]F)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5,5]C[5,6a]2N[5])(C[6a]C[6a]F)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,5]C[6a])(C[6a]C[6a]F){1|N<3>,3|F<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]F)(F){1|B<4>,1|F<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5,5]C[5,6a]2N[5])(C[6a]C[6a]F){1|B<4>,1|N<2>,2|F<1>,5|C<3>}	119.3243	0.244	4	119.3243	0.059	4	119.3243	0.059	4	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]F)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]F)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]F){2|C<4>,3|C<3>,3|F<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]F)(F){1|Si<4>,1|F<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]F){2|F<1>,3|C<3>}	117.1190	0.000	1	117.1190	0.000	1	117.1190	0.000	1	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:As[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]As[5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(As[5]C[5,6a]PdC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]As[5]C[6a])(C[6a]C[6a]H){1|Pd<4>,1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|As<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(As[5]C[5,6a]PdC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.2520	0.040	2	119.2520	0.002	2	118.9548	0.310	4	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:As[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]As[5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(As[5]C[5,6a]C[6a]O)(C[6a]N[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]As[5]C[6a])(C[6a]C[6a]H){1|N<2>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]H)(H){1|As<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(As[5]C[5,6a]C[6a]O)(C[6a]N[6a]H){1|H<1>,5|C<3>}	118.6575	0.759	2	118.6575	0.576	2	118.9548	0.310	4	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5,5]C[5,6a]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,5]C[6a])(C[6a]C[6a]H){1|N<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5,5]C[5,6a]2N[5])(C[6a]C[6a]H){2|H<1>,3|C<4>,5|C<3>}	121.2145	0.125	2	121.2145	0.016	2	121.3143	0.019	4	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5,5]C[5,6a]2P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,5]C[6a])(C[6a]C[6a]H){1|P<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5,5]C[5,6a]2P[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,6|C<3>}	121.4140	0.037	2	121.4140	0.001	2	121.3143	0.019	4	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]BrC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]BrC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.9775	0.141	2	120.9775	0.020	2	121.3121	0.148	29	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[5]Br)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|Br<1>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[5]Br)(C[6a]C[6a]H){2|H<1>,2|N<3>,3|C<3>}	121.7190	0.287	2	121.7190	0.082	2	121.3121	0.148	29	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[5]H)(C[6a]C[6a]H){2|H<1>,2|N<3>,3|C<3>}	121.6720	0.014	2	121.6720	0.000	2	121.3121	0.148	29	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[5]O)(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	121.4580	0.018	2	121.4580	0.000	2	121.3121	0.148	29	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	121.5330	0.501	4	121.5330	0.251	4	121.3121	0.148	29	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	121.3120	0.361	4	121.3120	0.130	4	121.3121	0.148	29	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]HP)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|P<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]HP)(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.4615	0.168	2	121.4615	0.028	2	121.3121	0.148	29	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]N[6]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]N[6]C)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	121.0490	0.000	1	121.0490	0.000	1	121.3121	0.148	29	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]N[6]N)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]N[6]N)(C[6a]C[6a]H){2|H<1>,5|C<3>}	121.1046	0.375	10	121.1046	0.141	10	121.3121	0.148	29	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H){1|Br<1>,3|C<3>,5|H<1>}	120.1660	0.000	1	120.3689	0.138	16	120.3689	0.138	16	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	120.5138	0.566	4	120.3689	0.138	16	120.3689	0.138	16	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H){2|C<2>,2|H<1>,2|O<2>,3|C<3>}	120.6028	0.217	4	120.3689	0.138	16	120.3689	0.138	16	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H){4|C<3>,5|H<1>}	120.1814	0.251	7	120.3689	0.138	16	120.3689	0.138	16	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[4,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[4,5]C[5,6a]C[4]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[4,5]C[5,6a]C[4]2)(C[6a]C[6a]H){3|H<1>,6|C<3>}	120.6290	0.327	2	120.6688	0.045	4	120.6688	0.045	4	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[4,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[4,5]C[5,6a]C[4]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[4,5]C[5,6a]C[4]2)(C[6a]C[6a]H){1|C<2>,1|P<4>,2|H<1>,4|C<3>}	120.7085	0.146	2	120.6688	0.045	4	120.6688	0.045	4	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	120.6410	0.492	2	120.6410	0.242	2	119.8499	0.508	230	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|Br<1>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	119.7580	2.196	2	119.4193	1.129	6	119.8499	0.508	230	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|Br<1>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Br)(H){1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){1|H<1>,1|N<3>,7|C<3>}	119.2500	0.400	4	119.4193	1.129	6	119.8499	0.508	230	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	120.0662	0.312	4	120.0781	0.174	12	119.8499	0.508	230	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[6a]C[6a]H){2|H<1>,7|C<3>}	120.1573	0.527	6	120.0781	0.174	12	119.8499	0.508	230	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[6a]C[6a]H){3|H<1>,6|C<3>}	119.8640	0.320	2	120.0781	0.174	12	119.8499	0.508	230	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	119.6185	0.233	2	119.8481	0.097	8	119.8499	0.508	230	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	120.2900	0.068	2	119.8481	0.097	8	119.8499	0.508	230	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2N[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,6|C<3>}	119.7745	0.224	2	119.8481	0.097	8	119.8499	0.508	230	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2N[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,6|C<3>}	119.7095	0.163	2	119.8481	0.097	8	119.8499	0.508	230	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	119.2634	0.262	9	119.8338	0.441	181	119.8499	0.508	230	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){1|Br<1>,1|H<1>,7|C<3>}	119.5992	0.538	14	119.8338	0.441	181	119.8499	0.508	230	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	120.1534	0.401	85	119.8338	0.441	181	119.8499	0.508	230	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){1|H<1>,1|N<3>,7|C<3>}	119.2887	0.823	30	119.8338	0.441	181	119.8499	0.508	230	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){1|H<1>,8|C<3>}	119.8191	0.717	39	119.8338	0.441	181	119.8499	0.508	230	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){1|C<4>,1|H<1>,7|C<3>}	119.3770	0.321	4	119.8338	0.441	181	119.8499	0.508	230	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,7|C<3>}	120.6345	0.588	2	120.3052	0.147	10	119.8499	0.508	230	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]H){1|O<1>,4|H<1>,5|C<3>}	119.9115	0.127	2	120.3052	0.147	10	119.8499	0.508	230	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]H){1|Br<1>,2|C<4>,3|C<3>,5|H<1>}	120.2460	0.337	4	120.3052	0.147	10	119.8499	0.508	230	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]H){2|C<4>,3|C<3>,6|H<1>}	120.4880	0.106	2	120.3052	0.147	10	119.8499	0.508	230	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]2)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	120.6530	0.083	2	120.6530	0.007	2	119.8499	0.508	230	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]I)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|I<1>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]I)(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){1|H<1>,1|O<2>,7|C<3>}	118.8360	2.115	4	118.8360	4.473	4	119.8499	0.508	230	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N)(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){1|H<1>,1|O<2>,7|C<3>}	119.8220	0.897	4	119.8220	0.805	4	119.8499	0.508	230	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	119.0580	0.000	1	119.0580	0.000	1	119.8499	0.508	230	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	120.7380	0.151	2	121.0759	0.197	18	120.7562	0.392	26	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a]H){1|Br<1>,5|C<3>,5|H<1>}	120.5745	0.329	2	121.0759	0.197	18	120.7562	0.392	26	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a]H){1|C<4>,4|C<3>,6|H<1>}	120.8990	0.472	4	121.0759	0.197	18	120.7562	0.392	26	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a]H){2|C<4>,3|C<3>,6|H<1>}	121.3145	0.352	10	121.0759	0.197	18	120.7562	0.392	26	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]N[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|N<3>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]N[6]2)(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	120.3665	0.182	2	120.0953	0.079	6	120.7562	0.392	26	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]N[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|N<3>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]N[6]2)(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	119.9597	0.218	4	120.0953	0.079	6	120.7562	0.392	26	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a]H){2|C<4>,3|C<3>,6|H<1>}	119.8660	0.000	1	119.8660	0.000	1	120.7562	0.392	26	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6a]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6a]C[6]2)(C[6a]C[6a]H){1|O<1>,4|H<1>,5|C<3>}	119.8580	0.000	1	119.8580	0.000	1	120.7562	0.392	26	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[5a,6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[5a,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[5a,6a]C[5a,6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[5a,6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[5a,6a]C[5a,6a]2){1|H<1>,1|N<3>,9|C<3>}	122.4800	0.000	1	122.4800	0.000	1	122.4800	0.000	1	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|S<2>,2|O<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|O<2>,5|C<3>}	120.6750	0.000	1	120.6750	0.000	1	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]C)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]C)(C[6a]C[6a]2){2|H<1>,7|C<3>}	121.5800	0.000	1	121.5800	0.000	1	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Br)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	120.4575	0.702	10	120.4575	0.492	10	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	120.7837	0.222	3	120.7837	0.049	3	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.9960	0.339	2	121.9960	0.115	2	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,7|C<3>}	120.0070	0.000	1	120.0070	0.000	1	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){1|H<1>,6|C<3>}	120.3700	0.025	2	120.3700	0.001	2	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]C){2|H<1>,3|C<3>}	121.1130	0.000	1	121.1130	0.000	1	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C[5])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C[5])(H){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.5430	0.000	1	120.5430	0.000	1	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.6550	0.014	2	119.6550	0.000	2	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|F<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.7700	0.000	1	120.7700	0.000	1	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]BH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|B<3>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]BH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.2050	0.030	2	120.2050	0.001	2	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	119.2665	0.223	2	120.5199	0.553	304	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.8530	0.510	4	120.5199	0.553	304	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.2508	0.490	15	120.5199	0.553	304	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<5>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	116.7220	0.000	1	120.5199	0.553	304	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Au<2>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|Au<2>,1|H<1>,3|C<3>}	120.5900	0.060	4	120.5199	0.553	304	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|B<3>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|B<3>,1|H<1>,3|C<3>}	120.7060	0.000	1	120.5199	0.553	304	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	120.4474	0.720	15	120.5199	0.553	304	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	120.6745	0.674	20	120.5199	0.553	304	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|C<5>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|C<5>,1|H<1>,3|C<3>}	120.1591	0.214	7	120.5199	0.553	304	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.7163	0.913	114	120.5199	0.553	304	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|I<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,1|I<1>,3|C<3>}	121.0560	0.000	1	120.5199	0.553	304	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	120.3701	0.524	29	120.5199	0.553	304	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,1|P<4>,3|C<3>}	120.8837	0.469	3	120.5199	0.553	304	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	120.4442	0.449	83	120.5199	0.553	304	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Si<4>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|Si<4>,1|H<1>,3|C<3>}	120.2180	0.000	1	120.5199	0.553	304	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	120.5108	0.189	4	120.5199	0.553	304	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.6169	0.737	137	120.6098	0.586	146	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|I<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){1|H<1>,1|I<1>,3|C<3>}	122.1290	1.754	2	120.6098	0.586	146	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.1130	0.000	1	120.6098	0.586	146	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.1905	0.170	6	120.6098	0.586	146	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	120.7955	0.179	2	120.7955	0.032	2	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CN)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CN)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.9670	0.116	2	119.9670	0.013	2	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.1084	0.274	97	120.1374	0.097	117	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.4529	0.237	12	120.1374	0.097	117	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.0159	0.544	8	120.1374	0.097	117	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CS)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CS)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.2040	0.000	1	120.2040	0.000	1	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	120.6390	0.683	2	120.6390	0.467	2	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]Br)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]Br)(C[6a]C[6a]H){1|Br<1>,2|H<1>,5|C<3>}	120.7270	0.428	4	120.7270	0.183	4	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[6a]C[6a]C){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	121.4160	0.000	1	121.4160	0.000	1	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[6a]C[6a]H){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	120.5400	0.000	1	120.4466	0.074	7	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	120.4127	0.376	4	120.4466	0.074	7	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[6a]C[6a]H){3|H<1>,5|C<3>}	120.4675	0.088	2	120.4466	0.074	7	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	120.6740	0.199	2	120.7297	0.049	4	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	120.7855	0.308	2	120.7297	0.049	4	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]N)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]N)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	120.3983	0.451	12	120.3983	0.203	12	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	120.7690	0.274	2	120.6664	0.082	10	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	120.6407	0.301	8	120.6664	0.082	10	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a]2)(C[6a]C[6a]H){2|H<1>,2|N<3>,5|C<3>}	120.0348	0.316	8	120.0348	0.100	8	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.6325	0.291	2	119.6325	0.084	2	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	120.1175	0.187	2	120.1175	0.035	2	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a]O)(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	120.3985	0.257	2	120.3985	0.066	2	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|N<3>,5|C<3>}	118.9160	0.068	2	118.9160	0.005	2	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6]C)(C[6a]C[6a]H){3|H<1>,5|C<3>}	120.1805	0.156	2	120.1805	0.024	2	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	119.1480	0.000	1	120.4720	0.327	84	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){1|Br<1>,1|H<1>,7|C<3>}	120.5850	0.257	2	120.4720	0.327	84	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|C<6>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){1|C<6>,1|H<1>,7|C<3>}	120.2970	0.000	1	120.4720	0.327	84	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,2|N<2>,5|C<3>}	120.5832	0.768	4	120.4720	0.327	84	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	120.5140	0.534	72	120.4720	0.327	84	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|N<2>,5|C<3>}	119.6630	0.000	1	120.4720	0.327	84	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|N<2>,6|C<3>}	118.9520	0.000	1	120.4720	0.327	84	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,8|C<3>}	120.5375	0.374	2	120.4720	0.327	84	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.7145	0.011	2	119.9890	0.226	3	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	120.5380	0.000	1	119.9890	0.226	3	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Sn<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){1|F<1>,1|H<1>,5|C<3>}	119.5360	0.000	1	120.2861	0.247	27	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	120.4257	0.403	22	120.2861	0.247	27	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	119.7060	0.480	4	120.2861	0.247	27	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|I<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	118.7800	0.771	2	120.1144	0.206	176	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	120.1090	0.000	1	120.1144	0.206	176	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.4670	0.000	1	120.1144	0.206	176	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	120.1972	0.380	156	120.1144	0.206	176	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){1|H<1>,6|C<3>}	120.6660	0.000	1	120.1144	0.206	176	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	119.4376	0.252	15	120.1144	0.206	176	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]S)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|S<2>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]S)(C[6a]C[6a]H){2|H<1>,5|C<3>}	120.0100	0.061	2	120.3135	0.124	4	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]S)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|S<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]S)(C[6a]C[6a]H){2|H<1>,5|C<3>}	120.6170	0.037	2	120.3135	0.124	4	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]FF)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|F<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]FF)(C[6a]C[6a]H){1|H<1>,4|C<3>}	119.3300	0.385	2	119.3300	0.148	2	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]GeC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Ge<4>,1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]GeC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.6172	0.428	4	120.6172	0.183	4	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]GeH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Ge<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]GeH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.3625	0.321	4	120.3625	0.103	4	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]GeSi)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Ge<4>,1|Si<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]GeSi)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.6940	0.017	2	120.6940	0.000	2	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]C){2|H<1>,3|C<3>}	121.0212	0.152	4	121.0212	0.023	4	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.3010	0.000	1	120.2555	1.404	73	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	119.1670	0.000	1	120.2555	1.404	73	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	120.3693	0.446	3	120.2555	1.404	73	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|F<1>,1|H<1>,3|C<3>}	120.1110	0.000	1	120.2555	1.404	73	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.8140	0.927	24	120.2555	1.404	73	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	119.9857	0.349	3	120.2555	1.404	73	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	120.2132	0.938	6	120.2555	1.404	73	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|N<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,1|N<4>,3|C<3>}	120.9240	0.000	1	120.2555	1.404	73	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,4|C<3>}	120.1584	0.745	14	120.2555	1.404	73	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	121.9677	2.883	4	120.2555	1.404	73	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.0585	0.431	12	120.2555	1.404	73	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	119.1603	0.145	3	120.2555	1.404	73	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]N)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]N){2|H<1>,3|C<3>}	120.7775	0.108	2	120.7775	0.012	2	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	120.0740	0.000	1	120.1207	0.473	7	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	120.1285	0.753	6	120.1207	0.473	7	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.2645	0.588	2	120.0597	0.299	3	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.6500	0.000	1	120.0597	0.299	3	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HP)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|P<3>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HP)(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.1095	0.506	2	120.3558	0.171	14	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HP)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|P<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HP)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.2302	0.243	12	120.3558	0.171	14	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HS)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|S<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HS)(C[6a]C[6a]H){2|H<1>,3|C<3>}	117.9890	0.000	1	117.9890	0.000	1	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]MnH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Mn<6>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]MnH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.8665	0.384	2	120.8665	0.147	2	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[3]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[3]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	120.8875	0.080	2	120.8875	0.006	2	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	120.0823	0.222	4	120.0779	0.095	18	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	120.0766	0.336	14	120.0779	0.095	18	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	120.2587	0.518	4	120.2565	0.172	6	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	120.2520	0.233	2	120.2565	0.172	6	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]Rh)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Rh<7>,1|N<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]Rh)(C[6a]C[6a]H){2|H<1>,5|C<3>}	120.3520	0.489	2	120.3520	0.239	2	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[6]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[6]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	120.4345	0.224	2	120.3881	0.181	11	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[6]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[6]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	120.4343	0.466	8	120.3881	0.181	11	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[6]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[6]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	119.9260	0.000	1	120.3881	0.181	11	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]PP)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|P<3>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]PP)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.3735	0.040	2	120.5117	0.958	10	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]PP)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|P<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]PP)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.5463	1.106	8	120.5117	0.958	10	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]PdH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Pd<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]PdH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.9005	0.299	2	119.9005	0.089	2	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]RuP)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Ru<7>,1|P<5>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]RuP)(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.7060	0.180	2	121.7060	0.032	2	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]SbH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Sb<2>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]SbH)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	119.8690	0.392	4	119.8690	0.154	4	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]Si2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|Si<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]Si2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.6560	0.061	2	120.6560	0.004	2	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]SiC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Si<4>,1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]SiC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.6795	0.009	2	120.6795	0.000	2	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]SiH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Si<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]SiH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.7246	0.275	20	120.6602	0.112	22	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]SiH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Si<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]SiH)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	120.0160	0.065	2	120.6602	0.112	22	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]SiSn)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Si<4>,1|Sn<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]SiSn)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.0910	0.672	2	120.0910	0.451	2	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]Si[4]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Si<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]Si[4]H)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	120.3960	0.264	3	120.3960	0.070	3	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]Si[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Si<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]Si[5]H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	120.4865	0.204	2	120.4865	0.042	2	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]SnO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Sn<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]SnO)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	119.2185	0.310	2	119.2185	0.096	2	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]I)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|I<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]I)(H){1|C<4>,1|I<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,1|I<1>,3|C<3>}	120.6290	0.000	1	120.6290	0.000	1	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Ir)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Ir<6>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Ir)(H){1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	121.3133	0.630	3	121.3650	0.464	8	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Ir)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Ir<6>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Ir)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	121.3960	0.781	5	121.3650	0.464	8	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N)(H){1|C<4>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	120.4705	0.108	2	120.4705	0.012	2	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	121.5731	0.391	8	121.5731	0.153	8	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	120.7148	0.630	5	120.7148	0.397	5	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CS)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CS)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	121.3090	0.000	1	121.3090	0.000	1	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.0410	0.000	1	121.0410	0.000	1	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Pt)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Pt<4>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Pt)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	121.1460	0.180	2	121.3243	0.126	4	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Pt)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Pt<6>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Pt)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	121.5025	0.467	2	121.3243	0.126	4	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]S)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|S<2>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]S)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	120.9880	0.000	1	120.9880	0.000	1	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	121.4045	0.401	2	121.4045	0.161	2	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,2|N<2>,5|C<3>}	121.4800	0.000	1	121.4800	0.000	1	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	121.8970	0.000	1	121.4060	0.099	6	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	121.3078	0.227	5	121.4060	0.099	6	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]O[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]O[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	121.7270	0.000	1	121.7270	0.000	1	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]O[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]O[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HO)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	121.4750	0.000	1	121.4750	0.000	1	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.2230	0.000	1	120.4100	0.551	5	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.1600	0.000	1	120.4100	0.551	5	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|S<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.5557	0.291	3	120.4100	0.551	5	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	120.1150	0.000	1	120.1150	0.000	1	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.0430	0.000	1	118.0430	0.000	1	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	119.7950	0.000	1	119.7750	0.001	2	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.7550	0.000	1	119.7750	0.001	2	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.4065	0.012	2	119.4065	0.000	2	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.0490	0.000	1	119.0490	0.000	1	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.0547	0.373	3	119.0547	0.139	3	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.2318	0.896	10	120.2318	0.803	10	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.1390	0.000	1	118.5405	0.470	14	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.1220	0.165	2	118.5405	0.470	14	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	117.3120	0.000	1	118.5405	0.470	14	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.4555	0.443	6	118.5405	0.470	14	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	118.2848	0.138	4	118.5405	0.470	14	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.0827	0.274	7	120.0827	0.075	7	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.8120	0.247	3	119.8120	0.061	3	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]N[5,6a]CH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]N[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.3480	0.000	1	119.6280	0.157	2	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]N[5,6a]CH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]N[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.9080	0.000	1	119.6280	0.157	2	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]N[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]N[5,6a]CH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]N[5,6a]CH)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	122.2980	0.000	1	122.2980	0.000	1	120.3765	0.541	1255	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Ge[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Ge[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Ge[5]C[5,6a]Ge[5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Ge[5])(C[6a]C[6a]H){2|Ge<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Ge<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Ge[5]C[5,6a]Ge[5]2)(C[6a]C[6a]H){1|Ge<4>,1|Pt<4>,2|H<1>,7|C<3>}	118.6972	0.336	4	118.6972	0.113	4	118.6972	0.113	4	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]C[6a]Pd)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Pd<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]C[6a]Pd)(C[6a]C[6a]H){2|H<1>,5|C<3>}	118.7355	0.653	2	118.7355	0.426	2	118.7355	0.426	2	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]FeC)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|Fe<5>,1|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]FeC)(C[6a]C[6a]C){2|H<1>,3|C<3>}	120.1170	0.000	1	120.1170	0.000	1	119.3413	0.483	76	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]RuC)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|Ru<9>,1|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]RuC)(C[6a]C[6a]C){2|H<1>,3|C<3>}	120.9610	0.000	1	120.9610	0.000	1	119.3413	0.483	76	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]BC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|B<4>,1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]BC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.2130	0.055	2	119.2130	0.003	2	119.3413	0.483	76	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.1972	0.054	4	119.1972	0.003	4	119.3413	0.483	76	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]CO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]CO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.6650	0.279	2	118.6650	0.078	2	119.3413	0.483	76	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[5]S)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|C<4>,1|S<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[5]S)(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	118.9343	0.305	3	118.9343	0.093	3	119.3413	0.483	76	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]B)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|B<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]B)(C[6a]C[6a]2){2|H<1>,7|C<3>}	119.5800	0.027	2	119.5800	0.001	2	119.3413	0.483	76	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]B)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|B<4>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]B)(C[6a]C[6a]C){2|H<1>,5|C<3>}	119.9183	0.706	4	119.9183	0.498	4	119.3413	0.483	76	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]B)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|B<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]B)(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.4385	0.345	10	119.4385	0.119	10	119.3413	0.483	76	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.4640	0.223	4	119.4560	0.070	6	119.3413	0.483	76	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.4400	0.447	2	119.4560	0.070	6	119.3413	0.483	76	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]Ir)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|Ir<8>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]Ir)(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.2305	0.202	2	119.2305	0.041	2	119.3413	0.483	76	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]N)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]N)(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.1030	0.154	2	119.1030	0.024	2	119.3413	0.483	76	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	119.0395	0.842	2	119.2681	0.202	7	119.3413	0.483	76	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.3596	0.299	5	119.2681	0.202	7	119.3413	0.483	76	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]Pt)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|Pt<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]Pt)(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.6755	0.362	4	119.6755	0.131	4	119.3413	0.483	76	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]S)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|S<1>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]S)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	119.0065	0.371	2	119.0470	0.074	3	119.3413	0.483	76	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]S)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|S<1>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]S)(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.1280	0.000	1	119.0470	0.074	3	119.3413	0.483	76	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]Se)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|Se<1>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]Se)(C[6a]C[6a]H){2|H<1>,5|C<3>}	118.9725	0.134	2	118.9725	0.018	2	119.3413	0.483	76	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]FeC)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|Fe<5>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]FeC)(C[6a]C[6a]2){2|H<1>,5|C<3>}	120.2860	0.000	1	120.2860	0.000	1	119.3413	0.483	76	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]MoC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|Mo<6>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]MoC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.5430	0.873	2	118.5430	0.761	2	119.3413	0.483	76	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]OO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]OO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.8050	0.465	4	118.8050	0.216	4	119.3413	0.483	76	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]RuC)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|Ru<9>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]RuC)(C[6a]C[6a]2){2|H<1>,5|C<3>}	121.0750	0.000	1	121.0750	0.000	1	119.3413	0.483	76	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]RuC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|Ru<6>,1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]RuC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.6600	0.127	2	119.6600	0.016	2	119.3413	0.483	76	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]SS)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){2|S<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]SS)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	118.7235	0.070	2	118.9423	0.101	4	119.3413	0.483	76	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]SS)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){2|S<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]SS)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.1610	0.325	2	118.9423	0.101	4	119.3413	0.483	76	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Ir)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|Ir<6>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Ir)(H){1|P<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){1|H<1>,6|C<3>}	121.8580	0.000	1	121.8580	0.000	1	119.3413	0.483	76	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N[6])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N[6])(H){1|H<1>,1|P<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.8730	0.000	1	119.8730	0.000	1	119.3413	0.483	76	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]O)(C[6a]N[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]H)(H){1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]O)(C[6a]N[6a]H){1|H<1>,5|C<3>}	119.0325	0.104	2	119.0325	0.011	2	119.3413	0.483	76	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	120.4460	0.000	1	120.4460	0.000	1	119.3413	0.483	76	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	117.6130	0.894	2	117.6130	0.799	2	119.3413	0.483	76	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[5a]C[6a])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[5a]C[6a])(H){1|H<1>,1|S<2>,1|S<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.7680	0.000	1	119.7680	0.000	1	118.6311	1.016	49	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(H){1|H<1>,1|N<2>,1|S<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.2135	0.135	2	118.9095	0.349	6	118.6311	1.016	49	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(H){1|H<1>,1|S<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.7575	0.695	4	118.9095	0.349	6	118.6311	1.016	49	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]FO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|F<1>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]FO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	117.9480	0.440	4	117.9480	0.194	4	118.6311	1.016	49	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]NO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]NO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.7963	0.121	3	118.7963	0.015	3	118.6311	1.016	49	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]C){2|H<1>,3|C<3>}	119.0985	0.582	2	119.0985	0.339	2	118.6311	1.016	49	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	117.1055	0.105	2	118.3044	0.849	18	118.6311	1.016	49	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<2>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	118.3915	0.005	2	118.3044	0.849	18	118.6311	1.016	49	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.1411	0.472	9	118.3044	0.849	18	118.6311	1.016	49	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|N<2>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	119.9920	0.000	1	118.3044	0.849	18	118.6311	1.016	49	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|N<3>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	119.9925	0.021	2	118.3044	0.849	18	118.6311	1.016	49	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|S<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H){1|H<1>,4|C<3>}	117.6195	0.139	2	118.3044	0.849	18	118.6311	1.016	49	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]Pd2)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|Pd<5>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]Pd2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	117.9330	0.000	1	117.9330	0.000	1	118.6311	1.016	49	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N)(H){1|H<1>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.6775	0.235	2	119.6775	0.055	2	118.6311	1.016	49	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N[6])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N[6])(H){1|C<4>,1|S<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	118.3795	0.080	4	119.2176	0.701	11	118.6311	1.016	49	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N[6])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N[6])(H){1|H<1>,1|S<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.6966	0.656	7	119.2176	0.701	11	118.6311	1.016	49	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]S[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]S[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	115.1610	0.000	1	115.1610	0.000	1	118.6311	1.016	49	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Si[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5,5]C[5,6a]3)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Si[5,5]C[6a])(C[6a]C[6a]H){1|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(H){1|Si<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5,5]C[5,6a]3)(C[6a]C[6a]2){2|H<1>,9|C<3>}	120.2290	0.091	2	120.2290	0.008	2	120.0392	0.319	22	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Si[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Si[5,5]C[6a])(C[6a]C[6a]H){1|Br<1>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Br)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5,5]C[5,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	120.1988	0.150	4	120.1988	0.022	4	120.0392	0.319	22	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Si[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Si[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Br<1>,1|Si<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5,5]C[5,6a]3)(C[6a]C[6a]H){1|Br<1>,1|H<1>,7|C<3>}	119.7382	0.388	4	119.9756	0.426	16	120.0392	0.319	22	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Si[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Si[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5,5]C[5,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	120.0547	0.716	12	119.9756	0.426	16	120.0392	0.319	22	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){1|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(H){1|Si<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]2)(C[6a]C[6a]2){2|H<1>,9|C<3>}	120.1490	0.000	1	120.1490	0.000	1	119.8638	0.418	63	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]Cl2)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|Cl<1>,1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(H){1|Si<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]Cl2)(C[6a]C[6a]2){2|H<1>,5|C<3>}	120.6130	0.000	1	120.6130	0.000	1	119.8638	0.418	63	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]Si2)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|Si<4>,1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(H){1|Si<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]Si2)(C[6a]C[6a]2){2|H<1>,5|C<3>}	120.6810	0.000	1	120.6810	0.000	1	119.8638	0.418	63	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	117.8640	0.000	1	119.9111	0.397	17	119.8638	0.418	63	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Si<4>,1|B<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H){1|B<3>,1|H<1>,3|C<3>}	119.9190	0.000	1	119.9111	0.397	17	119.8638	0.418	63	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Si<4>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	119.7540	0.000	1	119.9111	0.397	17	119.8638	0.418	63	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.0750	0.276	6	119.9111	0.397	17	119.8638	0.418	63	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Si<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	120.3945	0.224	4	119.9111	0.397	17	119.8638	0.418	63	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Si<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	119.7310	0.359	4	119.9111	0.397	17	119.8638	0.418	63	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[5]C)(C[6a]C[6a]H){3|H<1>,5|C<3>}	120.3075	0.094	2	120.3075	0.009	2	119.8638	0.418	63	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	119.6381	0.505	8	119.6381	0.255	8	119.8638	0.418	63	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	120.0623	0.576	4	120.0623	0.332	4	119.8638	0.418	63	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]Cl2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|Cl<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]Cl2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.2780	0.604	2	119.2780	0.365	2	119.8638	0.418	63	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]OO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]OO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.0784	0.356	8	120.0784	0.127	8	119.8638	0.418	63	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]RuO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){1|Ru<9>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]RuO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.6260	0.308	2	119.6260	0.095	2	119.8638	0.418	63	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]Si2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|Si<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]Si2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.8500	0.000	1	119.8500	0.000	1	119.8638	0.418	63	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]Si[5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|Si<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]Si[5]2)(C[6a]C[6a]H){1|Pd<4>,1|Si<4>,2|H<1>,7|C<3>}	120.1930	0.208	2	119.8213	0.604	8	119.8638	0.418	63	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]Si[5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|Si<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]Si[5]2)(C[6a]C[6a]H){1|Pt<4>,1|Si<4>,2|H<1>,7|C<3>}	119.8900	1.005	4	119.8213	0.604	8	119.8638	0.418	63	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]Si[5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|Si<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]Si[5]2)(C[6a]C[6a]H){2|Si<4>,2|H<1>,7|C<3>}	119.3120	0.585	2	119.8213	0.604	8	119.8638	0.418	63	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N)(H){1|Si<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	119.5410	0.000	1	119.5410	0.000	1	119.8638	0.418	63	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	121.0930	0.004	2	121.0930	0.000	2	119.8638	0.418	63	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]2)(C[6a]N[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]H)(H){1|Si<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]2)(C[6a]N[6a]H){1|H<1>,7|C<3>}	119.4365	0.037	2	119.4365	0.001	2	119.8638	0.418	63	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.6873	0.145	3	118.6873	0.021	3	119.8638	0.418	63	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:I-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]I)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(I)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]I){1|I<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(I){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,1|I<1>,3|C<3>}	116.8285	0.101	2	116.8285	0.010	2	116.8285	0.010	2	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[5a,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[5a,6a]H){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]2)(H){1|C<4>,1|N<2>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[5a,6a]H){1|H<1>,1|N<2>,7|C<3>}	121.6980	0.103	4	121.6980	0.011	4	121.6980	0.011	4	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[5a,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){2|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[5,6a]2)(H){1|C<4>,1|N<3>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[5a,6a]H){1|H<1>,1|N<3>,7|C<3>}	121.6060	0.000	1	121.6060	0.000	1	121.6060	0.000	1	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6,6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6,6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]2)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6,6a]H){1|H<1>,1|O<2>,7|C<3>}	120.0800	0.000	1	120.0800	0.000	1	120.0800	0.000	1	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]2)(H){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6,6a]H){1|H<1>,1|N<3>,3|C<3>}	120.0900	0.197	2	120.0110	0.012	6	120.0110	0.012	6	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]2)(H){3|C<3>,5|C<4>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6,6a]H){1|C<4>,1|H<1>,3|C<3>}	119.9715	0.010	4	120.0110	0.012	6	120.0110	0.012	6	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[6a]C[6a,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a,6a]H){2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(H){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[6a]C[6a,6a]H){1|H<1>,8|C<3>}	119.6470	0.000	1	119.6470	0.000	1	120.7263	0.912	3	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]2)(C[6a]C[6a,6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a,6a]H){1|H<1>,2|O<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(H){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]2)(C[6a]C[6a,6a]C[6a]){1|H<1>,2|C<4>,6|C<3>}	121.2660	0.277	2	121.2660	0.077	2	120.7263	0.912	3	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]O)(C[6a]C[6a,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a,6a]H){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(H){1|H<1>,1|P<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]O)(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	119.6085	0.443	2	119.6085	0.197	2	119.6085	0.197	2	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[5]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[5]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	122.5130	0.000	1	122.5130	0.000	1	121.7410	1.192	2	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2C[5])(C[6a]C[6a]H){2|H<1>,7|C<3>}	120.9690	0.000	1	120.9690	0.000	1	121.7410	1.192	2	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[4,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[4,5]C[4,5]2Cl)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]O)(C[6a]C[6a]H){2|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[4,5]C[4,5]2Cl)(C[6a]C[6a]H){2|Cl<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	121.2990	0.000	1	120.9985	0.181	2	120.9985	0.181	2	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[4,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[4,5]C[4,5]2Cl)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]O)(C[6a]C[6a]H){2|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[4,5]C[4,5]2Cl)(C[6a]C[6a]H){2|Cl<1>,1|H<1>,1|O<1>,2|C<3>,2|C<4>}	120.6980	0.000	1	120.9985	0.181	2	120.9985	0.181	2	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<2>,4|C<3>,5|H<1>}	120.7695	0.301	2	120.7695	0.090	2	120.3953	0.261	4	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	120.2780	0.000	1	120.0210	0.132	2	120.3953	0.261	4	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	119.7640	0.000	1	120.0210	0.132	2	120.3953	0.261	4	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2C)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	121.1410	0.000	1	121.1410	0.000	1	120.7708	0.307	11	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2O)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	120.6080	0.140	2	120.6080	0.020	2	120.7708	0.307	11	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2H)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	120.5950	0.000	1	120.5950	0.000	1	120.7708	0.307	11	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	121.2830	0.371	2	121.2830	0.137	2	120.7708	0.307	11	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	121.6020	0.000	1	121.6020	0.000	1	120.7708	0.307	11	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]Si)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]Si)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2H)(C[6a]C[6a]H){1|Si<4>,1|C<4>,3|C<3>,3|H<1>}	120.0405	0.095	2	120.0405	0.009	2	120.7708	0.307	11	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){2|C<3>,2|C<4>,7|H<1>}	121.0640	0.000	1	120.6390	0.361	2	120.7708	0.307	11	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	120.2140	0.000	1	120.6390	0.361	2	120.7708	0.307	11	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	120.5790	0.000	1	121.1100	0.564	2	121.3095	0.889	81	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]HH)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	121.6410	0.000	1	121.1100	0.564	2	121.3095	0.889	81	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3x5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3x5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3x5]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3x5]HH)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	121.8840	0.718	4	121.8840	0.515	4	121.3095	0.889	81	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[4]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[4]C[5])(C[6a]C[6a]H){1|C<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	120.3000	0.000	1	120.3000	0.000	1	121.3095	0.889	81	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]CO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]CO)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	120.3820	0.040	2	120.3820	0.002	2	121.3095	0.889	81	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]C)(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){2|H<1>,4|C<3>}	120.0290	0.000	1	120.0290	0.000	1	121.3095	0.889	81	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]CH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	122.1250	0.000	1	122.2210	0.007	3	121.3095	0.889	81	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]CH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|F<1>,1|H<1>,1|O<1>,3|C<3>}	122.2580	0.000	1	122.2210	0.007	3	121.3095	0.889	81	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]CH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	122.2800	0.000	1	122.2210	0.007	3	121.3095	0.889	81	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]CO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]CO)(C[6a]C[6a]H){1|F<1>,1|H<1>,1|O<1>,3|C<3>}	121.6220	0.000	1	121.6220	0.000	1	121.3095	0.889	81	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,1|S<3>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]C){1|O<1>,1|S<3>,2|C<3>,2|H<1>}	121.9590	0.000	1	121.9590	0.000	1	121.3095	0.889	81	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	121.8927	0.597	3	121.9047	0.222	27	121.3095	0.889	81	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	121.4160	0.000	1	121.9047	0.222	27	121.3095	0.889	81	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,1|S<2>,2|H<1>}	121.8770	0.000	1	121.9047	0.222	27	121.3095	0.889	81	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	121.9718	0.373	15	121.9047	0.222	27	121.3095	0.889	81	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	121.1860	0.049	2	121.9047	0.222	27	121.3095	0.889	81	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|S<3>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|O<1>,1|S<3>,2|C<3>,2|H<1>}	121.4765	0.521	2	121.9047	0.222	27	121.3095	0.889	81	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	122.5177	0.021	3	121.9047	0.222	27	121.3095	0.889	81	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){2|C<3>,2|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HO)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	121.6089	0.627	7	121.6089	0.393	7	121.3095	0.889	81	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	122.0857	0.102	3	122.0857	0.010	3	121.3095	0.889	81	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	122.1860	0.576	2	122.1860	0.331	2	121.3095	0.889	81	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]CH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]C)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]CH)(C[6a]C[6a]H){2|H<1>,4|C<3>}	120.4977	0.222	4	120.4977	0.049	4	121.3095	0.889	81	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	120.9625	0.047	2	121.2645	0.123	4	121.3095	0.889	81	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	121.5665	0.056	2	121.2645	0.123	4	121.3095	0.889	81	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|C<3>,4|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]2)(C[6a]C[6a]H){1|C<3>,5|C<4>,5|H<1>}	120.6140	0.000	1	120.6140	0.000	1	121.3095	0.889	81	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|Pt<4>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H){1|Pt<4>,1|N<3>,2|H<1>,3|C<3>}	120.2600	0.000	1	120.2600	0.000	1	121.3095	0.889	81	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	120.1010	0.000	1	120.1010	0.000	1	121.3095	0.889	81	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	120.9790	0.000	1	120.4850	0.488	2	121.3095	0.889	81	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	119.9910	0.000	1	120.4850	0.488	2	121.3095	0.889	81	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	120.1470	0.000	1	120.1470	0.000	1	121.3095	0.889	81	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]S)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|S<2>,2|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]S)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	120.3720	0.000	1	120.3720	0.000	1	121.3095	0.889	81	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3]C[5]H)(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	119.3630	0.000	1	119.3630	0.000	1	121.3095	0.889	81	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	120.8810	0.000	1	120.8810	0.000	1	121.3095	0.889	81	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	119.7900	0.000	1	119.4410	0.344	3	121.3095	0.889	81	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	118.7640	0.000	1	119.4410	0.344	3	121.3095	0.889	81	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.7690	0.000	1	119.4410	0.344	3	121.3095	0.889	81	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|I<1>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H){1|I<1>,2|H<1>,4|C<3>}	119.8580	0.000	1	119.5097	0.101	3	121.3095	0.889	81	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|I<1>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H){1|H<1>,1|I<1>,1|O<2>,4|C<3>}	119.3355	0.144	2	119.5097	0.101	3	121.3095	0.889	81	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]S)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]S)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	120.9760	0.000	1	120.9760	0.000	1	121.3095	0.889	81	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H){1|O<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	121.9665	0.738	2	121.9665	0.544	2	121.3095	0.889	81	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,1|S<4>,4|C<3>}	120.1430	0.000	1	120.1430	0.000	1	121.3095	0.889	81	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[5a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.4350	0.395	2	119.3853	0.085	3	119.6256	0.310	15	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[5a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.2860	0.000	1	119.3853	0.085	3	119.6256	0.310	15	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]S)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[5a]C[5])(C[6a]C[6a]H){1|N<2>,1|S<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]S)(C[6a]C[6a]H){2|H<1>,5|C<3>}	118.9370	0.000	1	118.9370	0.000	1	119.6256	0.310	15	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|F<1>,1|H<1>,1|O<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.6190	0.000	1	119.6190	0.000	1	119.6256	0.310	15	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]2){2|H<1>,7|C<3>}	120.7130	0.000	1	120.7130	0.000	1	119.6256	0.310	15	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	119.4940	0.000	1	119.5462	0.141	6	119.6256	0.310	15	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|P<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H){1|P<4>,2|H<1>,4|C<3>}	119.4920	0.000	1	119.5462	0.141	6	119.6256	0.310	15	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|F<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H){1|F<1>,1|H<1>,5|C<3>}	119.4460	0.000	1	119.5462	0.141	6	119.6256	0.310	15	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.6150	0.581	3	119.5462	0.141	6	119.6256	0.310	15	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]W)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|W<6>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]W)(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.4405	0.375	2	119.4405	0.141	2	119.6256	0.310	15	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	120.8010	0.000	1	120.8010	0.000	1	119.6256	0.310	15	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[5]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.4830	0.000	1	120.4830	0.000	1	120.1930	0.070	5	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[6a]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[6a]2C[5])(C[6a]C[6a]H){2|H<1>,7|C<3>}	120.1205	0.241	4	120.1205	0.058	4	120.1930	0.070	5	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,5,6]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a,6a])(C[5]C[5,5,6]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[5,5,6]C[6a,6a])(C[5]C[5,5,6]C)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){2|C<4>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5]){3|C<4>,4|C<3>,4|H<1>}	119.6860	0.000	1	119.6860	0.000	1	119.6860	0.000	1	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[5]C[5,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|O<1>,2|C<3>,2|C<4>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5]){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	120.3900	1.146	2	120.3900	1.312	2	120.3900	1.312	2	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:B[5]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]F)(B[5]O[5]O)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]B[5])(Si[5]O[5]CC)(C[6a]C[6a]F)	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]F)(B[5]O[5]O){1|C<3>,2|C<4>,2|F<1>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(F){1|Si<4>,1|C<3>,1|F<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]B[5])(Si[5]O[5]CC)(C[6a]C[6a]F){1|C<3>,1|O<2>,2|F<1>}	118.6470	0.000	1	118.6470	0.000	1	118.6470	0.000	1	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:B[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]O[5]O)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]N[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[6a]O[5]H)(C[6a]N[6a]F)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]O[5]O){1|C<3>,1|F<1>,1|N<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]N[6a]H)(H){1|C<3>,1|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[6a]O[5]H)(C[6a]N[6a]F){1|H<1>,1|O<2>,3|C<3>}	119.1600	0.000	1	119.1600	0.000	1	119.1600	0.000	1	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]O){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])2(H){1|C<4>,1|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[5,6a]H){1|H<1>,1|O<1>,7|C<3>}	123.0280	0.000	1	123.0280	0.000	1	122.9330	0.398	3	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])2(H){1|C<4>,1|O<1>,1|O<2>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[5,6a]H){1|H<1>,1|O<1>,5|C<3>}	122.2600	0.000	1	122.2600	0.000	1	122.9330	0.398	3	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]Cl)(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]O){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])2(H){1|Cl<1>,1|C<4>,1|O<1>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]Cl)(C[6a]C[5,6a]H){1|H<1>,1|O<1>,4|C<3>}	123.5110	0.000	1	123.5110	0.000	1	122.9330	0.398	3	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[5,6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]P[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[5,6a]H)(C[5]C[5]H){1|H<1>,1|O<1>,1|P<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]P[5])(H){1|H<1>,1|O<1>,1|P<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[5,6a]H){2|H<1>,5|C<3>}	119.8945	0.067	2	119.8945	0.005	2	119.8945	0.005	2	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]O[6])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6,6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]N[5]O){2|C<3>,2|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]O[6])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6,6a]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	121.2920	0.000	1	121.2920	0.000	1	121.2920	0.000	1	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6,6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]O[6])(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[5]C[6]O)(C[6a]C[6,6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6,6a]H)(C[5]C[5]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]O[6])(H){1|C<4>,1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[5]C[6]O)(C[6a]C[6,6a]H){2|C<4>,3|C<3>,3|H<1>}	120.7390	0.000	1	120.7390	0.000	1	120.7390	0.000	1	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a,6a]H)(C[5]C[6a]C[5])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a,6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a,6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a,6a]H)(C[5]C[6a]C[5]){1|H<1>,1|O<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a,6a]2)(H){1|P<4>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	119.0810	0.000	1	119.0810	0.000	1	119.0810	0.000	1	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[5,6]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(C[5]C[5,6]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C)(Br)	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(C[5]C[5,6]H){1|C<3>,1|O<2>,4|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C)(Br){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5]){1|Br<1>,1|C<3>,1|O<2>,3|C<4>,3|H<1>}	117.7280	0.127	4	117.7280	0.016	4	117.7280	0.016	4	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[4,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]Cl)(C[5]C[4,5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[4,5]C[4,5]2Cl)(C[6a]C[6a]Cl)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]Cl)(C[5]C[4,5]O){4|Cl<1>,1|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[4,5]C[4,5]2Cl)(C[6a]C[6a]Cl){4|Cl<1>,1|C<4>,1|O<1>,2|C<3>}	121.0670	0.000	1	121.0670	0.000	1	121.0670	0.000	1	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]O)(C[6a]C[6a]Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O){2|Cl<1>,1|C<3>,1|O<2>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]O)(C[6a]C[6a]Cl){2|Cl<1>,1|C<3>,1|N<2>,1|O<1>,3|C<4>}	121.8890	0.000	1	121.8673	0.122	3	121.8152	0.092	4	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]O)(C[6a]C[6a]Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O){2|Cl<1>,1|C<3>,1|O<2>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]O)(C[6a]C[6a]Cl){2|Cl<1>,1|O<1>,2|C<3>,3|C<4>}	121.8565	0.493	2	121.8673	0.122	3	121.8152	0.092	4	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]O)(C[6a]C[6a]Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O){2|Cl<1>,1|C<4>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]O)(C[6a]C[6a]Cl){2|Cl<1>,1|C<4>,1|O<1>,1|O<2>,2|C<3>}	121.6590	0.000	1	121.6590	0.000	1	121.8152	0.092	4	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]F)(C[5]C[5]B)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]2C[5])(C[6a]C[6a]F)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]F)(C[5]C[5]B){1|P<3>,2|F<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(F){1|B<4>,1|F<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]2C[5])(C[6a]C[6a]F){1|B<4>,1|P<3>,2|F<1>,5|C<3>}	116.7440	0.000	1	116.7440	0.000	1	116.7440	0.000	1	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]C[5]H){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2C[5])(C[6a]C[6a]H){3|H<1>,6|C<3>}	121.4250	0.000	1	121.4250	0.000	1	123.3428	0.404	34	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	122.2070	0.000	1	123.0897	0.590	3	123.3428	0.404	34	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	123.5310	0.109	2	123.0897	0.590	3	123.3428	0.404	34	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6]2N[5])(C[6a]C[6a]H){1|C<3>,5|C<4>,5|H<1>}	123.7900	0.000	1	123.7900	0.000	1	123.3428	0.404	34	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	123.5980	0.392	7	123.3024	0.184	22	123.3428	0.404	34	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	122.9143	0.390	3	123.3024	0.184	22	123.3428	0.404	34	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H){1|O<2>,3|H<1>,5|C<3>}	122.8110	0.000	1	123.3024	0.184	22	123.3428	0.404	34	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H){3|H<1>,6|C<3>}	123.2648	0.363	11	123.3024	0.184	22	123.3428	0.404	34	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]N[5]Cl)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]N[5]Cl)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	123.3310	0.000	1	123.1030	0.104	2	123.3428	0.404	34	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]N[5]Cl)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Cl<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]N[5]Cl)(C[6a]C[6a]H){3|H<1>,4|C<3>}	122.8750	0.000	1	123.1030	0.104	2	123.3428	0.404	34	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]N[5]Cl2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H){2|Cl<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5]N[5]Cl2)(C[6a]C[6a]H){2|C<3>,3|H<1>}	123.4200	0.000	1	123.4200	0.000	1	123.3428	0.404	34	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]C){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2O[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	124.8670	0.000	1	124.8670	0.000	1	123.3428	0.404	34	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H){1|B<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2O[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	124.4510	0.000	1	124.4510	0.000	1	123.3428	0.404	34	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2O[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	123.7875	0.127	2	123.7875	0.016	2	123.3428	0.404	34	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]Br)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]C){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]Br){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	122.3430	0.000	1	122.3430	0.000	1	122.3430	0.000	1	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[4,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[4,5]C[4]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[4,5]C[4]2C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	120.1200	0.000	1	120.1200	0.000	1	120.1200	0.000	1	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]C){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	120.6800	0.000	1	120.6800	0.000	1	121.2968	0.762	25	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]C){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,5|H<1>}	119.9840	0.000	1	120.0730	0.016	2	121.2968	0.762	25	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]C){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	120.1620	0.000	1	120.0730	0.016	2	121.2968	0.762	25	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|O<1>,3|H<1>,4|C<3>}	120.7510	0.000	1	120.4380	0.196	2	121.2968	0.762	25	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	120.1250	0.000	1	120.4380	0.196	2	121.2968	0.762	25	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]I)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]I){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|I<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<2>,2|H<1>,2|I<1>,4|C<3>}	120.0330	0.000	1	120.0330	0.000	1	121.2968	0.762	25	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]S[5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<1>,2|H<1>,2|S<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]S[5]2)(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	120.7690	0.000	1	120.7690	0.000	1	121.2968	0.762	25	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|Br<1>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|N<3>,2|O<1>,3|H<1>}	120.9610	0.000	1	120.9610	0.000	1	121.2968	0.762	25	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]N[5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|Br<1>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]N[5]2)(C[6a]C[6a]H){1|Br<1>,1|O<1>,3|H<1>,5|C<3>}	122.2940	0.000	1	122.2940	0.000	1	121.2968	0.762	25	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	121.3250	0.000	1	121.3527	0.437	6	121.2968	0.762	25	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	122.2970	0.000	1	121.3527	0.437	6	121.2968	0.762	25	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	121.7370	0.000	1	121.3527	0.437	6	121.2968	0.762	25	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|O<1>,5|H<1>}	121.0200	0.000	1	121.3527	0.437	6	121.2968	0.762	25	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<3>,2|O<1>,3|C<3>,4|H<1>}	121.4010	0.000	1	121.3527	0.437	6	121.2968	0.762	25	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|O<1>,3|C<3>,3|H<1>}	120.3360	0.000	1	121.3527	0.437	6	121.2968	0.762	25	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]N[5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]N[5]2)(C[6a]C[6a]H){1|O<1>,4|C<3>,5|H<1>}	122.0110	0.000	1	121.3056	0.162	5	121.2968	0.762	25	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]N[5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]N[5]2)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<1>,3|H<1>,4|C<3>}	121.1860	0.000	1	121.3056	0.162	5	121.2968	0.762	25	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]N[5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]N[5]2)(C[6a]C[6a]H){1|Br<1>,1|O<1>,3|H<1>,5|C<3>}	121.1103	0.106	3	121.3056	0.162	5	121.2968	0.762	25	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	122.0540	0.000	1	122.1540	0.008	4	121.2968	0.762	25	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	122.2250	0.000	1	122.1540	0.008	4	121.2968	0.762	25	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H){2|Cl<1>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	122.1090	0.000	1	122.1540	0.008	4	121.2968	0.762	25	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	122.2280	0.000	1	122.1540	0.008	4	121.2968	0.762	25	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,2|C<4>,2|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]C){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	123.4000	0.000	1	123.4000	0.000	1	121.2968	0.762	25	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]C){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,2|O<1>,3|C<3>}	118.3750	0.000	1	118.8040	0.368	2	120.9544	1.603	15	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]C){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	119.2330	0.000	1	118.8040	0.368	2	120.9544	1.603	15	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|N<3>,3|C<3>,5|H<1>}	120.3475	0.357	4	120.3475	0.128	4	120.9544	1.603	15	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]I)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]I){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|I<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|I<1>,2|C<4>,2|H<1>,4|C<3>}	120.4185	0.013	2	120.4185	0.000	2	120.9544	1.603	15	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,8|H<1>}	121.7980	0.000	1	121.7980	0.000	1	120.9544	1.603	15	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]N[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]N[6]2)(C[6a]C[6a]H){2|C<4>,2|H<1>,2|O<1>,3|C<3>}	121.3810	0.000	1	121.3810	0.000	1	120.9544	1.603	15	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[6]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[6]2N[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	122.7280	0.000	1	122.7280	0.000	1	120.9544	1.603	15	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[6]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[6]2O[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,3|C<3>,3|H<1>}	121.8165	0.491	2	121.8165	0.242	2	120.9544	1.603	15	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[6]2O[5])(C[6a]C[6a]N)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[6]2O[5])(C[6a]C[6a]N){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	122.4705	0.186	2	122.4705	0.035	2	120.9544	1.603	15	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]Br)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]BrH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]Br){1|Br<1>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]BrH)(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|H<1>}	120.5690	0.000	1	120.5690	0.000	1	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]Br)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]Br){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	122.4500	0.000	1	122.4500	0.000	1	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3]C[5]H)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	120.7550	0.000	1	120.7550	0.000	1	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]2Ru)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Ru<6>,1|C<3>,1|C<5>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]2Ru)(C[6a]C[6a]H){1|Ru<7>,1|C<3>,3|C<4>,3|H<1>}	120.4370	0.000	1	120.4370	0.000	1	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	120.8650	0.000	1	120.8650	0.000	1	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]P[6]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|P<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]P[6]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	120.0260	0.000	1	120.0260	0.000	1	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]PdC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Pd<10>,1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]PdC)(C[6a]C[6a]H){1|Pd<4>,2|C<3>,2|H<1>}	119.9207	0.290	4	119.9207	0.084	4	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]SiH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Si<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]SiH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.4440	0.000	1	120.4440	0.000	1	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|O<2>,4|C<3>}	120.4820	0.000	1	120.4820	0.000	1	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	120.4860	0.000	1	120.4860	0.000	1	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5a]C[5]H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	120.1950	0.000	1	120.1950	0.000	1	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<2>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<2>,1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|O<2>,4|C<3>}	121.4770	0.000	1	121.4770	0.000	1	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	121.4410	0.000	1	121.0100	0.372	2	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	120.5790	0.000	1	121.0100	0.372	2	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]CrH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Cr<4>,1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]CrH)(C[6a]C[6a]H){1|C<3>,4|H<1>}	120.1720	0.000	1	120.1720	0.000	1	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]IrP)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Ir<7>,1|C<3>,1|N<3>,1|P<5>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]IrP)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|H<1>}	119.7630	0.000	1	119.7630	0.000	1	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]PdH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Pd<4>,1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]PdH)(C[6a]C[6a]H){1|C<3>,4|H<1>}	120.7190	0.000	1	119.9735	1.112	2	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]PdH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Pd<7>,1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]PdH)(C[6a]C[6a]H){1|C<3>,4|H<1>}	119.2280	0.000	1	119.9735	1.112	2	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]RhP)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Rh<7>,1|C<3>,1|N<3>,1|P<5>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]RhP)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|H<1>}	119.8400	0.000	2	119.8400	0.000	2	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]RuP)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Ru<8>,1|C<3>,1|N<3>,1|P<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]RuP)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|H<1>}	119.9165	0.608	4	119.9165	0.370	4	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]SiH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Si<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]SiH)(C[6a]C[6a]H){2|C<3>,3|H<1>}	120.5870	0.115	4	120.5870	0.013	4	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]ZrC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Zr<14>,1|C<3>,1|C<5>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]ZrC)(C[6a]C[6a]H){1|C<3>,4|H<1>}	120.3910	0.000	1	120.3910	0.000	1	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){3|H<1>,4|C<3>}	120.0350	0.000	1	120.0350	0.000	1	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]Si[5]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Si<4>,1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]Si[5]C[5]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	120.0070	0.000	1	120.0070	0.000	1	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]I)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]I){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|I<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|I<1>,2|H<1>,4|C<3>}	121.0010	0.000	1	121.0010	0.000	1	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	120.9680	0.000	1	120.9680	0.000	1	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	122.3620	0.000	1	122.3620	0.000	1	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]BrH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|Cl<1>,1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]BrH)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|O<1>,3|H<1>}	121.3770	0.000	1	121.3770	0.000	1	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	121.5855	0.653	2	121.5855	0.426	2	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	121.3845	0.228	2	121.3845	0.052	2	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|P<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H){1|O<2>,1|P<4>,2|H<1>,5|C<3>}	121.0063	0.706	3	121.0063	0.498	3	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	121.6194	0.304	5	121.4718	0.143	32	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Cl<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|H<1>,4|C<3>}	121.6720	0.000	1	121.4718	0.143	32	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|F<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|F<1>,1|O<1>,2|H<1>,4|C<3>}	121.4170	0.000	1	121.4718	0.143	32	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|O<1>,3|C<3>,4|H<1>}	121.5360	0.000	1	121.4718	0.143	32	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	121.0950	0.000	1	121.4718	0.143	32	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,3|C<3>,3|H<1>}	120.8330	0.529	2	121.4718	0.143	32	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	121.5306	0.374	19	121.4718	0.143	32	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	121.1730	0.000	1	121.4718	0.143	32	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	121.3610	0.000	1	121.4718	0.143	32	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	121.7890	0.000	1	121.4380	0.246	2	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	121.0870	0.000	1	121.4380	0.246	2	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]SiH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|Si<3>,1|C<3>,1|S<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]SiH)(C[6a]C[6a]H){1|C<3>,1|P<4>,1|S<2>,2|H<1>}	118.9290	0.000	1	118.9290	0.000	1	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]Si)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]Si){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|Si<4>,2|H<1>,4|C<3>}	119.3110	0.000	1	119.3110	0.000	1	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]Cl2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Cl){3|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){2|Cl<1>,1|C<3>,1|C<4>,1|N<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]Cl2)(C[6a]C[6a]H){2|Cl<1>,1|C<3>,1|H<1>}	121.9880	0.000	1	121.9880	0.000	1	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]Cl2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Cl){2|Cl<1>,1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]Cl2)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|H<1>}	121.7780	0.000	1	121.7780	0.000	1	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Cu)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Cu){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cu<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2N[5])(C[6a]C[6a]H){1|Cu<3>,2|H<1>,6|C<3>}	121.0690	0.000	1	121.0690	0.000	1	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]IrN)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|Ir<9>,1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]IrN)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|H<1>}	119.2080	0.000	1	119.2080	0.000	1	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H){1|O<1>,1|S<4>,2|H<1>,3|C<3>}	122.5920	0.000	1	122.5920	0.000	1	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]C)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	121.0210	0.000	1	121.0210	0.000	1	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	121.6930	0.000	1	121.6930	0.000	1	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	121.5370	0.000	1	121.5750	0.003	2	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]C)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	121.6130	0.000	1	121.5750	0.003	2	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	120.8130	0.000	1	121.5545	0.247	4	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]H)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	121.7690	0.000	1	121.5545	0.247	4	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]H)(C[6a]C[6a]H){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	121.7660	0.000	1	121.5545	0.247	4	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	121.8700	0.000	1	121.5545	0.247	4	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6,6]N[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6,6]N[5]C)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	121.8150	0.427	3	121.8150	0.182	3	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6]N[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6]N[5]H)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|S<4>,2|C<4>,3|H<1>}	122.4500	0.000	1	121.6065	1.423	2	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6]N[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6]N[5]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	120.7630	0.000	1	121.6065	1.423	2	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6]N[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6]N[5]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	121.6935	0.599	2	121.6935	0.359	2	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	121.7810	0.000	1	121.8372	0.136	5	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	121.5250	0.000	1	121.8372	0.136	5	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	121.7070	0.000	1	121.8372	0.136	5	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	122.0865	0.549	2	121.8372	0.136	5	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	121.5035	0.272	2	121.5335	0.587	13	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	120.1960	0.000	1	121.5335	0.587	13	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|S<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H){1|O<1>,1|S<4>,2|H<1>,3|C<3>}	122.0668	0.426	5	121.5335	0.587	13	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|S<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,1|S<4>,3|C<3>}	119.9770	0.000	1	121.5335	0.587	13	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	121.6055	0.442	4	121.5335	0.587	13	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	121.5192	0.205	4	121.7548	0.173	12	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	121.7138	0.240	6	121.7548	0.173	12	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	122.8730	0.000	1	121.7548	0.173	12	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,4|C<3>}	121.8240	0.000	1	121.7548	0.173	12	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]S)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]S)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	122.3380	0.000	1	122.3380	0.000	1	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<2>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H){1|O<1>,1|S<4>,2|H<1>,3|C<3>}	123.2910	0.000	1	123.2910	0.000	1	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]N[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]N[6a]H){1|H<1>,1|O<1>,4|C<3>}	120.6465	0.066	2	120.6465	0.004	2	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]N){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2O[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	121.0527	0.486	6	121.0527	0.236	6	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]O[5]C)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]O[5]C)(C[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	122.6950	0.000	1	122.6950	0.000	1	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]O[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]O[5]H)(C[6a]C[6a]H){1|Fe<10>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	122.1880	0.000	1	122.1880	0.000	1	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]O[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]O[5]H)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	122.3260	0.000	1	121.8287	0.187	3	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]O[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]O[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	121.5800	0.062	2	121.8287	0.187	3	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6]O[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6]O[5]H)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|O<1>,2|C<3>,2|H<1>}	122.4570	0.000	1	122.4570	0.000	1	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2O[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	122.0533	0.778	6	122.0533	0.605	6	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	122.6780	0.120	2	122.6780	0.014	2	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	121.8959	0.294	8	121.9893	0.154	9	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	122.7370	0.000	1	121.9893	0.154	9	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]N)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]N)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	121.5990	0.000	1	121.5990	0.000	1	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	121.5740	0.000	1	121.5740	0.000	1	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]O[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]O[5]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	121.9520	0.010	2	121.9520	0.000	2	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5a]O[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5a]O[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	122.0210	0.000	1	122.0210	0.000	1	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[6]O[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[6]O[5]H)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	121.8967	0.226	4	121.8967	0.051	4	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[6a]O[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[6a]O[5]H)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	121.4090	0.000	1	121.4090	0.000	1	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]O[5]ClH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|Cl<1>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]O[5]ClH)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>}	121.9420	0.000	1	121.9420	0.000	1	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]C)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){2|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]C)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	124.8670	0.000	1	124.8670	0.000	1	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]S)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]S){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|S<1>,1|S<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2S[5])(C[6a]C[6a]H){1|S<1>,2|H<1>,5|C<3>}	120.6730	0.000	1	120.6730	0.000	1	121.3725	0.752	177	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Ge[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]Ge[5])(C[6a]C[6a]H)(C[5]O[5]Cr)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(Ge[5]C[6a]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]Ge[5])(C[6a]C[6a]H)(C[5]O[5]Cr){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cr<6>,1|Ge<4>,1|C<3>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(Ge[5]C[6a]2O[5])(C[6a]C[6a]H){1|Cr<6>,2|H<1>,5|C<3>}	118.7610	0.000	1	118.7610	0.000	1	119.2163	0.173	3	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Ge[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]Ge[5])(C[6a]C[6a]H)(C[5]O[5]Mo)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(Ge[5]C[6a]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]Ge[5])(C[6a]C[6a]H)(C[5]O[5]Mo){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Ge<4>,1|Mo<6>,1|C<3>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(Ge[5]C[6a]2O[5])(C[6a]C[6a]H){1|Mo<6>,2|H<1>,5|C<3>}	119.5750	0.000	1	119.5750	0.000	1	119.2163	0.173	3	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Ge[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]Ge[5])(C[6a]C[6a]H)(C[5]O[5]W)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(Ge[5]C[6a]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]Ge[5])(C[6a]C[6a]H)(C[5]O[5]W){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Ge<4>,1|C<3>,1|H<1>,1|O<2>,1|W<6>}	C[5,6a](C[5,6a]C[6a]C[5])(Ge[5]C[6a]2O[5])(C[6a]C[6a]H){1|W<6>,2|H<1>,5|C<3>}	119.3130	0.000	1	119.3130	0.000	1	119.2163	0.173	3	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]C){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H){4|C<3>,4|H<1>}	119.0330	0.000	1	119.0330	0.000	1	119.6420	0.458	20	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]Cl){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]2C[5])(C[6a]C[6a]H){1|Cl<1>,2|H<1>,6|C<3>}	118.8870	0.000	1	118.8870	0.000	1	119.6420	0.458	20	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[5]Mn2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]H){2|Mn<6>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[5]Mn2)(C[6a]C[6a]H){1|C<3>,4|H<1>}	119.5950	0.000	1	119.5950	0.000	1	119.6420	0.458	20	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]H){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]2C[5])(C[6a]C[6a]H){3|H<1>,6|C<3>}	119.4700	0.301	2	119.4700	0.091	2	119.6420	0.458	20	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]C)(C[6a]C[6a]H){3|H<1>,4|C<3>}	119.4085	0.220	4	119.4085	0.048	4	119.6420	0.458	20	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]Mn)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]H){2|Mn<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]Mn)(C[6a]C[6a]H){1|Mn<6>,3|C<3>,3|H<1>}	118.7460	0.000	1	118.7460	0.000	1	119.6420	0.458	20	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H){1|C<2>,3|C<3>,3|H<1>}	120.0355	0.110	2	119.8140	0.040	6	119.6420	0.458	20	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H){3|H<1>,4|C<3>}	119.7032	0.119	4	119.8140	0.040	6	119.6420	0.458	20	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]W)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]H){1|N<3>,1|W<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]W)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	118.6830	0.000	1	118.6830	0.000	1	119.6420	0.458	20	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]N[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]N[5]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	120.1570	0.000	1	120.1570	0.000	1	119.6420	0.458	20	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]N[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|P<4>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]N[5]O)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	120.6990	0.000	1	120.6990	0.000	1	119.6420	0.458	20	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]N[5]Pd)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Pd<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|P<4>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]N[5]Pd)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	121.5830	0.000	1	121.5830	0.000	1	119.6420	0.458	20	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[5]ClC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[5]ClC)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	120.2510	0.000	1	120.2510	0.000	1	120.8190	0.709	9	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]C[5]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[5]CC)(C[6a]C[6a]H){2|C<3>,3|H<1>}	120.4227	0.051	3	120.4227	0.003	3	120.8190	0.709	9	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[6a]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[6a]2C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	120.2600	0.291	2	120.2600	0.085	2	120.8190	0.709	9	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	121.2995	0.193	2	121.2995	0.037	2	120.8190	0.709	9	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]O[5]CC)(C[6a]C[6a]F)	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]O[5]CC)(C[6a]C[6a]F){1|C<3>,1|O<1>,2|H<1>}	122.7330	0.000	1	122.7330	0.000	1	120.8190	0.709	9	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a,6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]O){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a,6a]H){1|H<1>,1|O<1>,4|C<3>}	122.3700	0.000	1	122.3700	0.000	1	122.3700	0.000	1	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a,6a]H)(C[5]C[5]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a,6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a,6a]H)(C[5]C[5]H){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|P<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a,6a]H){2|H<1>,5|C<3>}	119.7230	0.000	1	119.7230	0.000	1	119.7230	0.000	1	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|O<1>,3|H<1>,5|C<4>}	119.7390	0.000	1	119.3330	0.330	2	120.3460	1.926	7	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|C<2>,1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	118.9270	0.000	1	119.3330	0.330	2	120.3460	1.926	7	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<1>,3|C<3>,3|H<1>}	120.0430	0.000	1	120.0430	0.000	1	120.3460	1.926	7	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|O<1>,4|C<4>,4|H<1>}	120.8480	1.604	2	120.9282	2.576	4	120.3460	1.926	7	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|C<2>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	121.0085	2.265	2	120.9282	2.576	4	120.3460	1.926	7	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Br)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Br)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	117.2590	0.000	1	117.2590	0.000	1	118.9955	6.031	2	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Br)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Br)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Br<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	120.7320	0.000	1	120.7320	0.000	1	118.9955	6.031	2	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|H<1>,5|C<3>}	120.9065	0.161	2	120.9065	0.026	2	120.2624	0.708	5	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|H<1>,3|C<3>}	119.8330	0.844	3	119.8330	0.712	3	120.2624	0.708	5	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	118.9460	0.000	1	118.9460	0.000	1	118.9460	0.000	1	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){2|Cl<1>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	119.2260	0.000	1	119.6555	0.369	2	119.6555	0.369	2	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){2|Cl<1>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	120.0850	0.000	1	119.6555	0.369	2	119.6555	0.369	2	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|H<1>,3|C<3>}	120.1250	0.000	1	120.1250	0.000	1	120.1250	0.000	1	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(F)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(F){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|F<1>,1|O<1>,2|H<1>,3|C<3>}	119.9150	0.000	1	119.9150	0.000	1	119.9150	0.000	1	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	121.9590	0.000	1	121.9590	0.000	1	122.1848	0.543	34	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]Br)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]Br){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	122.8350	0.000	1	122.8350	0.000	1	122.1848	0.543	34	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	122.6340	0.000	1	122.0009	0.242	23	122.1848	0.543	34	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,5|H<1>}	121.6630	0.000	1	122.0009	0.242	23	122.1848	0.543	34	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	121.4365	0.155	2	122.0009	0.242	23	122.1848	0.543	34	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|O<1>,4|C<3>,4|H<1>}	121.4010	0.341	2	122.0009	0.242	23	122.1848	0.543	34	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|I<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|I<1>,1|O<1>,2|H<1>,5|C<3>}	122.4310	0.000	1	122.0009	0.242	23	122.1848	0.543	34	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<1>,2|C<3>,4|H<1>}	122.0820	0.177	4	122.0009	0.242	23	122.1848	0.543	34	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|O<1>,3|C<3>,3|H<1>}	122.4090	0.000	1	122.0009	0.242	23	122.1848	0.543	34	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	122.3810	0.206	4	122.0009	0.242	23	122.1848	0.543	34	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	121.8427	0.745	4	122.0009	0.242	23	122.1848	0.543	34	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	122.3290	0.000	1	122.0009	0.242	23	122.1848	0.543	34	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){2|Br<1>,1|C<4>,1|O<1>,2|C<3>,3|H<1>}	122.1490	0.000	1	122.0009	0.242	23	122.1848	0.543	34	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	121.5080	0.000	1	122.0009	0.242	23	122.1848	0.543	34	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,7|H<1>}	122.7290	0.000	1	123.0135	1.301	6	122.1848	0.543	34	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,4|H<1>}	124.3495	0.811	2	123.0135	1.301	6	122.1848	0.543	34	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|F<1>,1|O<1>,3|C<3>,4|H<1>}	122.0940	0.000	1	123.0135	1.301	6	122.1848	0.543	34	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,7|H<1>}	121.9110	0.000	1	123.0135	1.301	6	122.1848	0.543	34	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,5|H<1>}	122.6480	0.000	1	123.0135	1.301	6	122.1848	0.543	34	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,4|H<1>}	121.9905	0.194	2	121.7957	0.133	3	122.1848	0.543	34	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|O<1>,1|S<4>,3|C<3>,4|H<1>}	121.4060	0.000	1	121.7957	0.133	3	122.1848	0.543	34	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[4,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[4,5]C[4,5]2O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[4,5]C[4,5]2O)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	121.3800	0.365	3	121.3800	0.133	3	121.3800	0.133	3	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5,5]2C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5,5]2C)(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	120.6210	0.000	1	120.6210	0.000	1	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5,5]2N)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5,5]2N)(C[6a]C[6a]H){3|H<1>,6|C<3>}	120.8935	0.190	2	120.8935	0.036	2	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	122.1700	0.000	1	122.1700	0.000	1	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	122.1320	0.000	1	122.1320	0.000	1	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	121.8790	0.038	2	122.1900	0.166	4	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	122.2660	0.000	1	122.1900	0.166	4	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	122.7360	0.000	1	122.1900	0.166	4	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|F<1>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	122.1500	0.000	1	122.1500	0.000	1	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|C<4>,4|H<1>}	122.3090	0.000	1	121.7328	0.660	77	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<2>,1|S<4>,2|C<3>,2|C<4>,5|H<1>}	121.4990	0.542	4	121.7328	0.660	77	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	121.4760	0.000	1	121.7328	0.660	77	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	121.7980	0.000	1	121.7328	0.660	77	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	122.9840	0.000	1	121.7328	0.660	77	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	122.0024	0.359	7	121.7328	0.660	77	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	120.8590	0.000	1	121.7328	0.660	77	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,1|N<2>,1|O<1>,5|C<3>}	121.5260	0.000	1	121.7328	0.660	77	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,2|C<2>,2|C<4>,3|C<3>}	121.3350	0.154	2	121.7328	0.660	77	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,3|H<1>,4|C<3>}	121.3840	0.000	1	121.7328	0.660	77	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,3|H<1>,5|C<3>}	122.0910	0.578	3	121.7328	0.660	77	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,2|C<3>,2|H<1>,4|C<4>}	122.1340	0.000	1	121.7328	0.660	77	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,5|H<1>}	121.9960	0.000	1	121.7328	0.660	77	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	122.2710	0.000	1	121.7328	0.660	77	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,1|S<4>,2|C<3>,4|H<1>}	121.0470	0.000	1	121.7328	0.660	77	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,3|C<3>,4|H<1>}	121.9500	0.000	1	121.7328	0.660	77	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,3|H<1>,4|C<3>}	122.2680	0.000	1	121.7328	0.660	77	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	122.2650	0.000	1	121.7328	0.660	77	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|S<4>,3|C<3>,4|H<1>}	120.8290	0.000	1	121.7328	0.660	77	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	122.4170	0.000	1	121.7328	0.660	77	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	121.7515	0.292	2	121.7328	0.660	77	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	121.9560	0.006	2	121.7328	0.660	77	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	122.0220	0.000	1	121.7328	0.660	77	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,5|C<4>}	121.7435	0.517	2	121.7328	0.660	77	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	122.0034	0.658	10	121.7328	0.660	77	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	121.7020	0.198	2	121.7328	0.660	77	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	122.2703	0.577	6	121.7328	0.660	77	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	121.8090	0.741	2	121.7328	0.660	77	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	121.6913	0.485	3	121.7328	0.660	77	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	121.8470	0.000	1	121.7328	0.660	77	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	120.8170	0.000	1	121.7328	0.660	77	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|C<3>,3|C<4>,4|H<1>}	121.1560	0.334	2	121.7328	0.660	77	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	118.2350	0.000	1	121.7328	0.660	77	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	117.7830	0.000	1	121.7328	0.660	77	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,2|C<4>,4|C<3>}	121.8870	0.000	1	121.7328	0.660	77	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,1|S<4>,2|O<1>,3|C<3>}	121.4780	0.000	1	121.7328	0.660	77	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	121.5410	0.000	1	121.7328	0.660	77	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,2|O<1>,3|C<3>,3|H<1>}	121.6660	0.000	1	121.7328	0.660	77	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	121.6710	0.865	2	121.7328	0.660	77	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	121.7897	0.531	3	121.7328	0.660	77	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]Br)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]Br){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	122.6620	0.000	1	122.6620	0.000	1	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]C[6])	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]C[6]){1|O<1>,2|H<1>,3|C<3>,6|C<4>}	123.3050	0.000	1	123.3050	0.000	1	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]Cl)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]Cl){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	121.8280	0.000	1	122.0730	0.120	2	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]Cl)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]Cl){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	122.3180	0.000	1	122.0730	0.120	2	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,5|H<1>}	121.9355	1.935	2	121.6747	0.495	56	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	121.5050	0.000	1	121.6747	0.495	56	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	121.1540	0.000	1	121.6747	0.495	56	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	120.8060	0.733	2	121.6747	0.495	56	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	121.4700	0.000	1	121.6747	0.495	56	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,3|H<1>,4|C<3>}	121.4855	0.086	2	121.6747	0.495	56	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	121.1670	0.000	1	121.6747	0.495	56	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	120.3510	0.000	1	121.6747	0.495	56	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>,3|C<4>}	121.7850	0.000	1	121.6747	0.495	56	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	121.7410	0.000	1	121.6747	0.495	56	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<3>,1|F<1>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	121.9130	0.000	1	121.6747	0.495	56	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<3>,1|F<1>,1|O<1>,3|C<4>,3|H<1>}	121.0690	0.000	1	121.6747	0.495	56	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	122.5150	0.000	1	121.6747	0.495	56	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	121.6865	0.032	2	121.6747	0.495	56	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	121.6790	0.000	1	121.6747	0.495	56	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	121.6790	0.000	1	121.6747	0.495	56	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	121.8280	0.401	5	121.6747	0.495	56	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	122.6760	0.000	1	121.6747	0.495	56	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	122.2790	0.000	1	121.6747	0.495	56	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	122.2770	0.000	1	121.6747	0.495	56	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	121.8185	0.319	2	121.6747	0.495	56	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	122.6700	0.000	1	121.6747	0.495	56	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	121.6903	0.562	10	121.6747	0.495	56	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|I<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<3>,1|I<1>,1|O<1>,2|H<1>,4|C<4>}	122.6975	0.774	2	121.6747	0.495	56	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|I<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<4>,1|I<1>,1|O<1>,3|C<3>,3|H<1>}	121.1615	2.348	2	121.6747	0.495	56	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,4|C<3>}	121.2920	0.000	1	121.6747	0.495	56	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	121.0660	0.000	1	121.6747	0.495	56	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	121.6397	0.714	3	121.6747	0.495	56	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	121.7200	0.395	3	121.6747	0.495	56	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	121.2700	0.547	2	121.6747	0.495	56	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	121.6510	0.000	1	121.6747	0.495	56	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]N[6])	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]N[6]){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	122.3290	0.000	1	122.3290	0.000	1	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	122.4655	0.107	2	121.9625	0.360	117	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<2>,2|C<3>,4|H<1>}	120.9300	0.000	1	121.9625	0.360	117	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	121.3720	0.000	1	121.9625	0.360	117	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	122.1840	0.000	1	121.9625	0.360	117	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	122.0210	0.000	1	121.9625	0.360	117	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>,6|H<1>}	120.9970	0.000	1	121.9625	0.360	117	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	122.4130	0.000	1	121.9625	0.360	117	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	122.2840	0.349	2	121.9625	0.360	117	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	121.7640	0.000	1	121.9625	0.360	117	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	121.5860	0.000	1	121.9625	0.360	117	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|N<3>,4|C<3>,4|H<1>}	122.1400	0.000	1	121.9625	0.360	117	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,4|H<1>,6|C<3>}	121.5030	0.000	1	121.9625	0.360	117	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,5|C<3>,5|H<1>}	122.5170	0.000	1	121.9625	0.360	117	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|N<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	120.5880	0.000	1	121.9625	0.360	117	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<1>,2|N<3>,3|C<3>,3|H<1>}	122.0340	0.000	1	121.9625	0.360	117	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	122.1010	0.000	1	121.9625	0.360	117	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	122.4750	0.000	1	121.9625	0.360	117	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	122.0150	0.421	3	121.9625	0.360	117	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	121.4250	0.000	1	121.9625	0.360	117	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,1|O<1>,1|O<2>,2|C<2>,4|C<3>}	122.0400	0.000	1	121.9625	0.360	117	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|F<1>,1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	122.7080	0.000	1	121.9625	0.360	117	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|F<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	122.1200	0.000	1	121.9625	0.360	117	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|F<1>,1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	121.9220	0.000	1	121.9625	0.360	117	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|F<1>,1|O<1>,2|C<3>,3|H<1>,4|C<4>}	122.1120	0.000	1	121.9625	0.360	117	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,3|H<1>,5|C<3>}	122.1180	0.000	1	121.9625	0.360	117	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<2>,2|C<4>,4|H<1>}	121.7590	0.000	1	121.9625	0.360	117	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	122.3670	0.000	1	121.9625	0.360	117	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|C<3>,4|H<1>}	122.2900	0.000	1	121.9625	0.360	117	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	122.4580	0.000	1	121.9625	0.360	117	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<2>,3|H<1>,4|C<3>}	121.8940	0.000	1	121.9625	0.360	117	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,6|H<1>}	122.7590	0.000	1	121.9625	0.360	117	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	122.5355	0.829	2	121.9625	0.360	117	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	122.2355	0.245	2	121.9625	0.360	117	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	121.9240	0.000	1	121.9625	0.360	117	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	122.2820	0.484	2	121.9625	0.360	117	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,1|O<2>,1|S<2>,2|C<3>,2|C<4>,4|H<1>}	122.9370	0.000	1	121.9625	0.360	117	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,1|O<2>,3|C<3>,3|C<4>,3|H<1>}	122.3600	0.000	1	121.9625	0.360	117	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<2>,2|C<4>,3|C<3>,3|H<1>}	122.2330	0.000	1	121.9625	0.360	117	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	122.3253	0.532	13	121.9625	0.360	117	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	123.0350	0.000	1	121.9625	0.360	117	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	122.2000	0.432	3	121.9625	0.360	117	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	122.6690	0.000	1	121.9625	0.360	117	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<2>,3|C<4>,3|H<1>}	121.7990	0.000	1	121.9625	0.360	117	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<2>,2|C<4>,2|H<1>,3|C<3>}	121.6220	0.000	1	121.9625	0.360	117	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	121.8130	0.000	1	121.9625	0.360	117	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	122.0065	0.165	2	121.9625	0.360	117	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|N<2>,1|O<1>,3|C<3>,3|H<1>}	122.0330	0.000	1	121.9625	0.360	117	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<1>,2|H<1>,5|C<3>}	121.4500	0.000	1	121.9625	0.360	117	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|C<2>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	122.5020	0.000	1	121.9625	0.360	117	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|N<2>,1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	121.1210	0.000	1	121.9625	0.360	117	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|N<2>,1|O<1>,2|H<1>,4|C<3>}	121.1650	0.143	2	121.9625	0.360	117	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,5|H<1>}	121.3840	0.260	6	121.9625	0.360	117	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,3|C<3>,4|H<1>}	121.5830	0.000	1	121.9625	0.360	117	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,3|H<1>,4|C<3>}	120.9975	0.214	2	121.9625	0.360	117	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	121.3400	0.000	1	121.9625	0.360	117	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	121.4410	0.000	1	121.9625	0.360	117	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){2|C<4>,2|O<1>,3|C<3>,3|H<1>}	121.6765	0.097	2	121.9625	0.360	117	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|C<2>,1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	120.7610	0.981	2	121.9625	0.360	117	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>,2|O<1>,3|H<1>}	122.9090	0.287	2	121.9625	0.360	117	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,1|S<1>,2|C<3>,2|C<4>,2|H<1>}	122.2880	0.000	1	121.9625	0.360	117	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	121.4295	0.555	2	121.9625	0.360	117	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,3|H<1>,4|C<3>}	121.5400	0.000	1	121.9625	0.360	117	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<2>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	122.8430	0.457	2	121.9625	0.360	117	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,2|O<1>,3|C<4>,4|H<1>}	121.5258	0.462	4	121.9625	0.360	117	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	122.1960	0.110	2	121.9625	0.360	117	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	122.1755	0.740	2	121.9625	0.360	117	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	121.9530	0.000	1	121.9625	0.360	117	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	121.8770	0.000	1	121.9625	0.360	117	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,2|O<1>,3|C<3>,4|H<1>}	122.0690	0.023	2	121.9625	0.360	117	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|I<1>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	121.5130	0.000	1	121.9625	0.360	117	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|O<1>,3|H<1>}	122.7700	0.000	1	121.9625	0.360	117	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<2>,2|C<4>,2|H<1>,3|C<3>}	122.6960	0.000	1	121.9625	0.360	117	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	121.6220	0.000	1	121.9625	0.360	117	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	121.8940	0.000	1	121.9625	0.360	117	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	120.7040	0.000	1	121.9625	0.360	117	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|N<2>}	121.2900	0.000	1	121.9625	0.360	117	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	121.6680	0.000	1	121.9625	0.360	117	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]N[5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]N[5]2)(C[6a]C[6a]H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	121.5025	0.139	2	121.7043	0.067	4	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]N[5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]N[5]2)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	121.9060	0.132	2	121.7043	0.067	4	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	120.6040	0.000	1	120.9335	0.217	2	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	121.2630	0.000	1	120.9335	0.217	2	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	122.3550	0.000	1	122.3550	0.000	1	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	123.3995	0.346	2	123.3995	0.120	2	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	121.7300	0.000	1	122.0799	0.200	43	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	121.9555	0.314	4	122.0799	0.200	43	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,1|S<4>,3|H<1>,4|C<3>}	121.2080	0.000	1	122.0799	0.200	43	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	121.5500	0.000	1	122.0799	0.200	43	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<2>,1|C<3>,1|O<1>,3|H<1>,4|C<4>}	122.9830	0.000	1	122.0799	0.200	43	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	122.1155	0.142	2	122.0799	0.200	43	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	121.8935	0.579	2	122.0799	0.200	43	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|H<1>,4|C<4>}	121.9357	0.387	4	122.0799	0.200	43	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,3|C<3>,5|H<1>}	122.4647	0.225	3	122.0799	0.200	43	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	122.0752	0.196	4	122.0799	0.200	43	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	122.0459	0.438	8	122.0799	0.200	43	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	122.2460	0.551	10	122.0799	0.200	43	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	122.0880	0.000	1	122.0799	0.200	43	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	121.7730	0.000	1	122.0799	0.200	43	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|C<2>,3|H<1>}	121.9400	0.000	1	121.8614	0.129	7	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	121.7390	0.000	1	121.8614	0.129	7	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|C<2>,2|H<1>}	122.0210	0.261	3	121.8614	0.129	7	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	121.6440	0.668	2	121.8614	0.129	7	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,6|H<1>}	123.0100	0.000	1	122.0432	0.615	33	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|C<2>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	121.9860	0.000	1	122.0432	0.615	33	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	121.9100	0.000	1	122.0432	0.615	33	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|C<2>,5|H<1>}	122.8700	0.626	4	122.0432	0.615	33	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,7|H<1>}	122.4610	0.000	1	122.0432	0.615	33	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,6|H<1>}	122.0600	0.000	1	122.0432	0.615	33	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	122.2545	0.575	4	122.0432	0.615	33	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	121.4410	0.000	1	122.0432	0.615	33	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	122.7895	0.385	4	122.0432	0.615	33	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	122.7680	0.000	1	122.0432	0.615	33	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	122.4170	0.000	1	122.0432	0.615	33	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	121.6100	0.000	1	122.0432	0.615	33	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	121.5100	0.000	1	122.0432	0.615	33	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	121.9920	0.000	1	122.0432	0.615	33	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	121.6240	0.000	1	122.0432	0.615	33	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,8|H<1>}	120.8765	0.224	2	122.0432	0.615	33	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<2>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	121.6813	0.190	4	122.0432	0.615	33	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|O<1>,5|H<1>}	121.7710	0.000	1	122.0432	0.615	33	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){4|C<3>,7|H<1>}	120.3500	0.000	1	122.0432	0.615	33	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,4|C<3>,6|H<1>}	120.3810	0.000	1	122.0432	0.615	33	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H){1|C<3>,1|F<1>,1|O<1>,2|C<4>,2|H<1>}	120.7640	0.000	1	121.5990	0.443	4	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	121.6940	0.000	1	121.5990	0.443	4	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	122.3860	0.000	1	121.5990	0.443	4	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,2|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	121.5520	0.000	1	121.5990	0.443	4	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	123.3090	0.000	1	123.3090	0.000	1	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,6|H<1>}	123.7390	0.000	1	123.7390	0.000	1	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|O<2>,6|H<1>}	121.8620	0.000	1	121.8620	0.000	1	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,6|H<1>}	121.6380	0.000	1	121.6380	0.000	1	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,1|S<4>,2|C<2>,3|C<3>,4|H<1>}	121.4860	0.000	1	121.5490	0.008	2	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,1|S<4>,2|C<4>,5|H<1>}	121.6120	0.000	1	121.5490	0.008	2	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]S[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]S[5]C){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2S[5])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|O<1>,3|C<3>,4|H<1>}	121.9220	0.000	1	121.9220	0.000	1	121.8929	0.484	368	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5,6]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[5])(C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])	C[5,6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5,6]S){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[5,6a]H)(H){1|C<3>,1|S<4>,3|C<4>}	C[5,6a](C[5,6a]C[5,6a]N[5])(C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5]){1|S<4>,2|C<4>,3|H<1>,4|C<3>}	123.7430	0.000	1	123.7430	0.000	1	123.7430	0.000	1	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5,6]2C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5,6]2C)(C[6a]C[6a]H){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	122.2780	0.000	1	121.3403	0.771	3	121.8488	0.535	102	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5,6]2C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5,6]2C)(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	120.5380	0.000	1	121.3403	0.771	3	121.8488	0.535	102	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5,6]2C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5,6]2C)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	121.2050	0.000	1	121.3403	0.771	3	121.8488	0.535	102	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5,6]2H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5,6]2H)(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	121.2600	0.000	1	121.2600	0.000	1	121.8488	0.535	102	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	123.1860	0.000	1	123.1860	0.000	1	121.8488	0.535	102	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]Br)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]Br){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	123.7470	0.000	2	123.7470	0.000	2	121.8488	0.535	102	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	121.9220	0.000	1	121.7558	0.429	73	121.8488	0.535	102	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	121.1580	0.000	1	121.7558	0.429	73	121.8488	0.535	102	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,6|H<1>}	122.2500	0.000	1	121.7558	0.429	73	121.8488	0.535	102	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|N<3>,1|O<1>,4|H<1>,5|C<3>}	121.5860	0.000	1	121.7558	0.429	73	121.8488	0.535	102	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	120.6970	0.000	1	121.7558	0.429	73	121.8488	0.535	102	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	121.5225	0.245	2	121.7558	0.429	73	121.8488	0.535	102	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	121.6977	0.841	8	121.7558	0.429	73	121.8488	0.535	102	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,5|H<1>}	122.1470	0.000	1	121.7558	0.429	73	121.8488	0.535	102	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	121.8010	0.000	1	121.7558	0.429	73	121.8488	0.535	102	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	121.9665	1.159	2	121.7558	0.429	73	121.8488	0.535	102	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<2>,2|C<3>,2|C<4>,3|H<1>}	122.1350	0.000	1	121.7558	0.429	73	121.8488	0.535	102	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<2>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	122.5420	0.000	1	121.7558	0.429	73	121.8488	0.535	102	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	122.2520	0.000	1	121.7558	0.429	73	121.8488	0.535	102	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	121.9430	0.000	1	121.7558	0.429	73	121.8488	0.535	102	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	122.0760	0.000	1	121.7558	0.429	73	121.8488	0.535	102	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	122.9255	0.004	2	121.7558	0.429	73	121.8488	0.535	102	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	122.7870	0.000	1	121.7558	0.429	73	121.8488	0.535	102	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,2|C<2>,2|H<1>,3|C<3>,3|C<4>}	121.4180	0.338	2	121.7558	0.429	73	121.8488	0.535	102	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,3|C<4>,3|H<1>,4|C<3>}	122.2200	0.181	2	121.7558	0.429	73	121.8488	0.535	102	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	120.7170	0.000	1	121.7558	0.429	73	121.8488	0.535	102	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|S<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|S<1>,1|S<2>,4|C<3>,4|H<1>}	121.9800	0.000	1	121.7558	0.429	73	121.8488	0.535	102	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,7|H<1>}	120.1560	0.000	1	121.7558	0.429	73	121.8488	0.535	102	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	120.7140	0.102	2	121.7558	0.429	73	121.8488	0.535	102	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	122.2050	0.000	1	121.7558	0.429	73	121.8488	0.535	102	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	120.2520	0.000	1	121.7558	0.429	73	121.8488	0.535	102	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	122.0570	0.000	1	121.7558	0.429	73	121.8488	0.535	102	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	120.8880	0.000	1	121.7558	0.429	73	121.8488	0.535	102	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	121.7060	0.000	1	121.7558	0.429	73	121.8488	0.535	102	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Cl<1>,1|N<2>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	121.8650	0.000	1	121.7558	0.429	73	121.8488	0.535	102	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	121.9250	0.000	1	121.7558	0.429	73	121.8488	0.535	102	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Cl<1>,2|C<4>,2|H<1>,2|O<1>,3|C<3>}	121.9700	0.000	1	121.7558	0.429	73	121.8488	0.535	102	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|F<1>,1|N<2>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	121.9070	0.000	1	121.7558	0.429	73	121.8488	0.535	102	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,3|C<3>,4|H<1>}	121.6800	0.000	1	121.7558	0.429	73	121.8488	0.535	102	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	122.0850	0.000	1	121.7558	0.429	73	121.8488	0.535	102	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	121.9120	0.000	1	121.7558	0.429	73	121.8488	0.535	102	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,2|C<4>,4|H<1>}	122.7380	0.000	1	121.7558	0.429	73	121.8488	0.535	102	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,2|C<2>,2|C<4>,2|H<1>,3|C<3>}	122.1530	0.429	2	121.7558	0.429	73	121.8488	0.535	102	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	122.2803	0.250	3	121.7558	0.429	73	121.8488	0.535	102	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	121.8233	0.232	3	121.7558	0.429	73	121.8488	0.535	102	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	122.0050	0.000	1	121.7558	0.429	73	121.8488	0.535	102	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){2|C<3>,2|O<1>,3|C<4>,3|H<1>}	122.7010	0.000	1	121.7558	0.429	73	121.8488	0.535	102	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){2|C<4>,2|O<1>,3|C<3>,3|H<1>}	121.7955	0.281	4	121.7558	0.429	73	121.8488	0.535	102	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	121.2810	0.000	1	121.7558	0.429	73	121.8488	0.535	102	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<2>,3|C<3>,3|C<4>}	121.6430	0.000	1	121.7558	0.429	73	121.8488	0.535	102	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	121.3267	0.531	3	121.7558	0.429	73	121.8488	0.535	102	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Br<1>,1|C<2>,1|C<4>,1|H<1>,1|O<1>,4|C<3>}	121.6060	0.000	1	121.7558	0.429	73	121.8488	0.535	102	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,2|O<1>,4|C<3>}	121.3370	0.000	1	121.7558	0.429	73	121.8488	0.535	102	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,2|O<1>,4|C<3>}	120.5190	0.000	1	121.7558	0.429	73	121.8488	0.535	102	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	121.7360	0.000	1	121.7558	0.429	73	121.8488	0.535	102	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	121.1110	0.000	1	121.7558	0.429	73	121.8488	0.535	102	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]N[6]2)(C[6a]C[6a]Br)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]N[6]2)(C[6a]C[6a]Br){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	122.2470	0.000	1	122.2470	0.000	1	121.8488	0.535	102	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	122.4250	0.000	1	122.4250	0.000	1	121.8488	0.535	102	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|O<2>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]O){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	123.8150	0.000	1	123.8150	0.000	1	121.8488	0.535	102	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	123.5970	0.000	1	123.5970	0.000	1	121.8488	0.535	102	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Cl<1>,1|C<2>,1|C<3>,2|C<4>,7|H<1>}	121.3030	0.000	1	121.7700	0.194	17	121.8488	0.535	102	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|F<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	122.1240	0.000	1	121.7700	0.194	17	121.8488	0.535	102	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	121.9940	0.000	1	121.7700	0.194	17	121.8488	0.535	102	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	122.2460	0.000	1	121.7700	0.194	17	121.8488	0.535	102	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<2>,3|C<3>,4|H<1>}	121.6000	0.000	1	121.7700	0.194	17	121.8488	0.535	102	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|F<1>,2|O<1>,3|C<3>,3|H<1>}	121.0690	0.000	1	121.7700	0.194	17	121.8488	0.535	102	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<2>,1|O<1>,3|C<3>,3|H<1>}	122.1530	0.000	1	121.7700	0.194	17	121.8488	0.535	102	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Br<1>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	121.7120	0.000	1	121.7700	0.194	17	121.8488	0.535	102	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|F<1>,1|O<1>,2|H<1>,5|C<3>}	122.0950	0.000	1	121.7700	0.194	17	121.8488	0.535	102	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<2>,1|O<1>,3|H<1>,4|C<3>}	122.1147	0.486	3	121.7700	0.194	17	121.8488	0.535	102	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	121.9660	0.000	1	121.7700	0.194	17	121.8488	0.535	102	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	121.4160	0.440	2	121.7700	0.194	17	121.8488	0.535	102	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	121.3260	0.071	2	121.7700	0.194	17	121.8488	0.535	102	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]O[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]O[6]2)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	122.2730	0.000	1	122.2730	0.000	1	121.8488	0.535	102	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]BrH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]C){1|Br<1>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]BrH)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<3>,3|C<3>}	120.4035	0.482	4	120.2468	0.297	5	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]BrH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]C){1|Br<1>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]BrH)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	119.6200	0.000	1	120.2468	0.297	5	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]CC)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.6930	0.000	1	121.6930	0.000	1	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	121.2920	0.000	1	121.2920	0.000	1	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.3980	0.000	1	121.3190	0.012	2	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H){3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){3|C<3>,3|H<1>}	121.2400	0.000	1	121.3190	0.012	2	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.1325	0.520	2	121.4291	2.034	49	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.6339	1.670	33	121.4291	2.034	49	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	121.6545	0.197	2	121.4291	2.034	49	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.9670	0.000	1	121.4291	2.034	49	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	121.3740	0.000	1	121.4291	2.034	49	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	121.1680	0.383	4	121.4291	2.034	49	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	120.5870	0.496	6	121.4291	2.034	49	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CO)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	121.0430	0.000	1	121.0430	0.000	1	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	120.8335	0.230	2	120.8335	0.053	2	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	121.4093	0.283	10	121.4093	0.080	10	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	121.8220	0.000	1	121.8220	0.000	1	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	122.8570	0.000	1	122.8570	0.000	1	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]N)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]N)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	122.1170	0.000	1	122.1170	0.000	1	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	122.3800	0.000	1	122.3800	0.000	1	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]F)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,1|O<1>,2|C<3>,2|F<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]F){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	122.5110	0.000	1	122.5110	0.000	1	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]C[5]C)(C[6a]C[6a]Br)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]C[5]C)(C[6a]C[6a]Br){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	124.2290	0.000	1	124.2290	0.000	1	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H){1|C<3>,1|F<1>,1|O<1>,2|H<1>,3|C<4>}	122.0660	0.000	1	122.0660	0.000	1	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]C[5]N)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]C[5]N)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,2|C<3>,3|C<4>}	122.1600	0.000	1	122.1600	0.000	1	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]2C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]2C[6])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<4>,3|H<1>,4|C<3>}	120.3240	0.000	1	120.3240	0.000	1	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]AlH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Al<4>,1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]AlH)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	122.9950	1.454	2	122.9950	2.114	2	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]BrC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]BrC)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>}	121.0320	0.000	1	121.0320	0.000	1	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]BrH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]BrH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	121.8335	0.366	2	121.8335	0.134	2	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	120.8500	0.000	1	121.2375	0.300	2	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	121.6250	0.000	1	121.2375	0.300	2	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]F)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|F<1>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]F)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	122.1110	0.000	1	122.1110	0.000	1	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<3>,1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H){1|B<3>,2|C<4>,3|C<3>,3|H<1>}	120.8340	0.000	1	121.3235	0.479	2	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	121.8130	0.000	1	121.3235	0.479	2	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]N)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]N)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	121.8440	0.000	1	121.8440	0.000	1	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	121.9860	0.772	2	121.8654	0.213	5	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	121.5180	0.000	1	121.8654	0.213	5	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	121.6950	0.000	1	121.8654	0.213	5	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	122.1420	0.000	1	121.8654	0.213	5	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]Cl2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|Cl<1>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]Cl2)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	122.1970	0.000	1	121.8887	0.182	3	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]Cl2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|Cl<1>,1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]Cl2)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	121.7345	0.470	2	121.8887	0.182	3	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]ClC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]ClC)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	121.1650	0.000	1	121.1650	0.000	1	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]GaH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ga<4>,1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]GaH)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	123.0605	0.069	2	123.0605	0.005	2	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[4]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[4]C)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	122.1160	0.000	1	122.1160	0.000	1	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[5]C)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,2|C<3>,2|C<4>}	121.3180	0.000	1	120.0880	3.026	2	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	118.8580	0.000	1	120.0880	3.026	2	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[5]N)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[5]N)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	121.4480	0.000	1	121.4480	0.000	1	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[6]2)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,6|C<4>}	121.6580	0.276	2	121.6580	0.076	2	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]YbC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Yb<12>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]YbC)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	122.3575	0.193	2	122.3575	0.037	2	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]2C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,5|C<3>}	122.2950	0.000	1	121.9890	0.187	2	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]2C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	121.6830	0.000	1	121.9890	0.187	2	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	122.3230	0.000	1	122.0715	0.127	2	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	121.8200	0.000	1	122.0715	0.127	2	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	121.7290	0.000	1	121.9153	0.500	7	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	121.9463	0.770	6	121.9153	0.500	7	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,1|O<1>,3|C<3>}	122.0950	0.000	1	122.0950	0.000	1	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]N)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]N)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	121.8170	0.185	2	121.7755	0.014	4	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]N)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]N)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	121.7340	0.000	2	121.7755	0.014	4	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	120.7270	0.000	1	122.2574	0.495	7	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	122.1720	0.000	1	122.2574	0.495	7	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	122.4795	0.088	2	122.2574	0.495	7	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	122.6480	0.167	3	122.2574	0.495	7	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]S)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]S)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	121.3190	0.000	1	121.3190	0.000	1	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	122.1153	0.437	3	121.6414	0.519	5	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	120.9305	0.101	2	121.6414	0.519	5	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	121.2660	0.000	1	122.2320	0.489	4	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	122.7570	0.000	1	122.2320	0.489	4	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	122.4525	0.402	2	122.2320	0.489	4	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,4|C<3>}	120.3680	0.000	1	122.0359	0.478	33	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	122.5940	0.000	1	122.0359	0.478	33	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|F<1>,1|H<1>,1|O<1>,4|C<3>}	121.7340	0.000	1	122.0359	0.478	33	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	121.4180	0.416	4	122.0359	0.478	33	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	120.8170	0.000	1	122.0359	0.478	33	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	121.5835	0.087	2	122.0359	0.478	33	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,1|O<1>,3|C<3>}	122.4575	0.537	2	122.0359	0.478	33	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	122.5056	0.464	14	122.0359	0.478	33	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	121.6350	0.000	1	122.0359	0.478	33	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	121.5000	0.000	1	122.0359	0.478	33	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	121.0500	0.000	1	122.0359	0.478	33	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	122.1640	0.226	4	122.0359	0.478	33	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]F)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|F<1>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]F)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	122.2350	0.219	2	121.7690	0.675	3	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]F)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|F<1>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]F)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	120.8370	0.000	1	121.7690	0.675	3	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	121.0830	0.000	1	122.1143	0.331	7	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	122.0670	0.683	2	122.1143	0.331	7	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	122.3957	0.210	4	122.1143	0.331	7	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	121.4020	0.000	1	121.4108	0.294	10	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	121.4600	0.392	2	121.4108	0.294	10	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	121.3980	0.643	7	121.4108	0.294	10	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	122.3370	0.000	1	121.6873	1.533	6	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	122.8880	0.000	1	121.6873	1.533	6	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,1|O<1>,3|C<3>}	119.4970	0.000	1	121.6873	1.533	6	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	122.0240	0.817	2	121.6873	1.533	6	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	121.3540	0.000	1	121.6873	1.533	6	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]S)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]S)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	121.3770	0.550	2	121.3770	0.303	2	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]2)(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	120.9280	0.649	2	120.9280	0.421	2	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]Cl){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	121.8090	0.000	1	121.8090	0.000	1	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	121.6055	0.194	2	121.2903	0.317	3	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	120.6600	0.000	1	121.2903	0.317	3	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]N)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]N)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|C<3>}	122.4170	0.314	2	122.4170	0.099	2	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]S)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<3>,1|O<1>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]S)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	121.7155	0.531	2	121.7155	0.282	2	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	123.0120	0.000	1	123.0120	0.000	1	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H){1|O<1>,3|C<3>,4|H<1>}	122.7080	0.533	4	122.7080	0.284	4	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	121.5845	0.103	2	121.5845	0.011	2	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]Cl2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){2|Cl<1>,1|C<3>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]Cl2)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|H<1>}	122.2580	1.137	2	122.2580	1.293	2	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]ClC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]ClC)(C[6a]C[6a]H){1|C<3>,1|O<1>,3|H<1>}	121.9275	0.175	2	121.9275	0.031	2	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[5]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	121.7490	0.000	1	121.7490	0.000	1	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]2C[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	122.2110	0.000	1	122.2110	0.000	1	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	122.8820	0.000	1	122.8342	0.069	5	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	122.7510	0.327	3	122.8342	0.069	5	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H){3|H<1>,4|C<3>}	123.0360	0.000	1	122.8342	0.069	5	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H){1|F<1>,1|O<1>,2|H<1>,3|C<3>}	122.0970	0.000	1	121.9528	0.205	6	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	122.1580	0.398	3	121.9528	0.205	6	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|H<1>,3|C<3>}	121.9420	0.000	1	121.9528	0.205	6	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	121.2040	0.000	1	121.9528	0.205	6	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]N)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]N)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,3|H<1>}	121.9860	0.000	1	121.9860	0.000	1	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,3|H<1>}	122.0710	0.000	1	122.3320	0.136	2	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	122.5930	0.000	1	122.3320	0.136	2	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	121.7720	0.000	1	121.7720	0.000	1	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,3|C<3>,4|H<1>}	123.2420	0.000	1	123.2420	0.000	1	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<2>,1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	120.1130	0.000	1	121.2677	0.964	12	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){4|C<3>,4|H<1>}	120.2050	0.180	3	121.2677	0.964	12	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,3|H<1>}	121.6400	0.000	1	121.2677	0.964	12	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	122.3025	0.309	4	121.2677	0.964	12	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	122.0650	0.000	1	121.2677	0.964	12	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){4|C<3>,4|H<1>}	120.7850	0.096	2	121.2677	0.964	12	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	122.1130	0.000	1	122.1130	0.000	1	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]Br)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Br<1>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]Br){1|O<1>,3|C<3>,3|H<1>}	122.5520	0.000	1	122.5520	0.000	1	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	122.1780	0.000	1	122.8583	0.368	3	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){3|H<1>,4|C<3>}	123.1985	0.203	2	122.8583	0.368	3	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	121.3330	0.000	1	121.3330	0.000	1	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]O){1|O<1>,3|H<1>,5|C<3>}	124.3800	0.698	4	124.3800	0.487	4	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	124.2173	0.492	3	124.2173	0.242	3	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]Pd)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]PdS)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]Pd){1|Pd<4>,1|C<3>,1|S<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]PdS)(C[6a]C[6a]H){1|Pd<4>,1|C<3>,3|H<1>}	122.4340	0.000	1	122.4340	0.000	1	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]B[5]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|B<3>,1|C<3>,1|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]B[5]C[5]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|F<1>,1|S<4>,2|H<1>,2|O<2>}	121.4660	0.000	1	121.4660	0.000	1	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	121.0180	0.000	1	121.0180	0.000	1	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<2>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|S<4>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	121.6020	0.000	1	121.9770	0.226	3	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<1>,1|S<4>,2|H<1>,3|C<3>}	122.1645	0.490	2	121.9770	0.226	3	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|S<4>,3|H<1>,4|C<3>}	121.4115	0.069	2	121.4115	0.005	2	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|S<4>,4|C<3>}	121.3170	0.349	2	121.5437	0.215	3	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	121.9970	0.000	1	121.5437	0.215	3	121.8215	1.049	279	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(P[5]C[3x6]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(P[5]C[3x6]2C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|H<1>,7|C<4>}	118.6000	0.000	1	118.6000	0.000	1	120.3094	1.160	11	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(P[5]C[5]Cu2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C){2|Cu<4>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(P[5]C[5]Cu2)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	120.7972	0.354	5	120.7972	0.125	5	120.3094	1.160	11	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(P[5]C[5]CuC)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<4>,1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(P[5]C[5]CuC)(C[6a]C[6a]2){4|C<3>,4|H<1>}	121.0637	0.228	3	121.0637	0.052	3	120.3094	1.160	11	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(P[5]C[5]RhO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Rh<6>,1|C<3>,1|O<2>,1|P<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(P[5]C[5]RhO)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|P<4>,3|H<1>}	119.4040	0.000	1	119.4040	0.000	1	120.3094	1.160	11	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]N[5]Zn)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(P[5]C[6a]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]N[5]Zn){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Zn<4>,1|C<3>,1|H<1>,1|N<3>,1|P<4>}	C[5,6a](C[5,6a]C[6a]N[5])(P[5]C[6a]2N[5])(C[6a]C[6a]H){1|Zn<4>,2|H<1>,6|C<3>}	118.2220	0.000	1	118.2220	0.000	1	120.3094	1.160	11	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:I-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]I)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(I)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]I)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(I){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H){1|I<1>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	121.2120	0.000	1	121.2120	0.000	1	121.2120	0.000	1	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a,6a]H)(N[5]C[5]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a,6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a,6a]H)(N[5]C[5]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(H){1|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a,6a]H){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	119.3030	0.000	1	119.3030	0.000	1	119.3030	0.000	1	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:P[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]C[5]Ru)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]C[5]Ru){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|Ru<6>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H){1|Ru<6>,3|H<1>,5|C<3>}	120.0820	0.000	1	120.0820	0.000	1	120.0820	0.000	1	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:Ge[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(Ge[5]C[6a]Ge[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Ge[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Ge[5])(P[5]C[6a]2Ge[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(Ge[5]C[6a]Ge[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]Ge[5])(C[6a]C[6a]H)(H){1|Ge<2>,1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]Ge[5])(P[5]C[6a]2Ge[5])(C[6a]C[6a]H){2|H<1>,6|C<3>}	118.3130	0.000	1	118.3130	0.000	1	118.3130	0.000	1	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5,5]C[3x5]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5,5]C[3x5]C[5]C)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	121.9560	0.000	1	121.9560	0.000	1	121.5653	0.510	6	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	122.3470	0.000	1	122.3470	0.000	1	121.5653	0.510	6	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5,5]C[3x5]C[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5,5]C[3x5]C[5]O)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	121.4217	0.766	3	121.4217	0.587	3	121.5653	0.510	6	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5,5]C[3x5]N[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|N<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5,5]C[3x5]N[5]C)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	120.8240	0.000	1	120.8240	0.000	1	121.5653	0.510	6	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[3x5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[3x5]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	122.8240	0.000	1	122.8240	0.000	1	122.1809	0.580	45	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[3x5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[3x5]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	122.5150	0.256	2	122.5150	0.066	2	122.1809	0.580	45	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]FF)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]2)(C[6a]C[6a]H){1|N<3>,2|C<4>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]FF)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	120.0990	0.000	1	120.0990	0.000	1	122.1809	0.580	45	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){2|C<4>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	121.2400	0.000	1	121.2400	0.000	1	122.1809	0.580	45	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	123.2350	0.000	1	123.2350	0.000	1	122.1809	0.580	45	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	121.9690	0.170	3	121.5458	0.239	6	122.1809	0.580	45	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	121.2690	0.000	1	121.5458	0.239	6	122.1809	0.580	45	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|S<4>,3|C<4>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,1|S<4>,2|C<3>}	121.1700	0.000	1	121.5458	0.239	6	122.1809	0.580	45	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,3|C<4>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.9290	0.000	1	121.5458	0.239	6	122.1809	0.580	45	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	121.6973	0.094	3	122.2020	0.310	6	122.1809	0.580	45	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	122.6970	0.000	1	122.2020	0.310	6	122.1809	0.580	45	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	122.7115	0.062	2	122.2020	0.310	6	122.1809	0.580	45	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CO)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	122.3170	0.336	5	122.3170	0.113	5	122.1809	0.580	45	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]C[6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]C[6a]C)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	121.1720	0.000	1	121.1720	0.000	1	122.1809	0.580	45	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	122.6340	0.000	1	122.6340	0.000	1	122.1809	0.580	45	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]FF)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]FF)(C[6a]C[6a]H){2|H<1>,4|C<3>}	121.9150	0.255	2	121.9150	0.065	2	122.1809	0.580	45	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	123.4503	0.456	3	122.5431	0.609	10	122.1809	0.580	45	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	122.1705	0.025	2	122.5431	0.609	10	122.1809	0.580	45	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	122.0847	0.712	3	122.5431	0.609	10	122.1809	0.580	45	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	122.2425	0.702	2	122.5431	0.609	10	122.1809	0.580	45	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HN)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|O<2>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HN)(C[6a]C[6a]O){1|C<3>,2|H<1>,3|C<4>}	122.5753	0.775	3	122.5753	0.600	3	122.1809	0.580	45	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]P[5])(C[6a]C[6a]H){1|Pd<4>,1|C<3>,1|C<4>,2|O<2>,5|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<4>,2|C<4>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|P<4>,3|H<1>}	122.1482	0.980	4	122.1482	0.960	4	122.1809	0.580	45	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]S[5])(C[6a]C[6a]H){2|O<1>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>}	122.2540	0.000	1	122.2540	0.000	1	122.1809	0.580	45	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(P[5]C[3x6]2C[5,5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<4>,2|C<4>}	C[5,6a](C[5,6a]N[5,5]C[6a])(P[5]C[3x6]2C[5,5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|H<1>,7|C<4>}	119.4880	0.000	1	119.4880	0.000	1	119.7055	0.095	2	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(N[5,5]P[5,5]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(P[5]P[5,5]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(N[5,5]P[5,5]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|P<3>,1|P<4>}	C[5,6a](C[5,6a]N[5,5]C[6a])(P[5]P[5,5]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	119.9230	0.000	1	119.9230	0.000	1	119.7055	0.095	2	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5,6]C[5,6]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){2|C<3>,4|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5,6]C[5,6]C[6]2)(C[6a]C[6a]H){1|C<3>,4|C<4>,7|H<1>}	121.3970	0.000	1	121.3970	0.000	1	121.9820	0.300	6	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]O[5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5,6]O[5,6]C[6]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]O[5,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5,6]O[5,6]C[6]H)(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<4>,3|C<3>}	121.4720	0.000	1	122.0990	0.272	5	121.9820	0.300	6	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]O[5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5,6]O[5,6]C[6]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]O[5,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5,6]O[5,6]C[6]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	122.2558	0.446	4	122.0990	0.272	5	121.9820	0.300	6	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|F<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	122.9820	0.000	1	122.9820	0.000	1	121.6613	0.955	20	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){3|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	120.7080	0.000	1	120.7080	0.000	1	121.6613	0.955	20	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.3620	0.000	1	121.5293	0.458	8	121.6613	0.955	20	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.3670	0.000	1	121.5293	0.458	8	121.6613	0.955	20	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.7760	0.000	1	121.5293	0.458	8	121.6613	0.955	20	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.1535	0.325	2	121.5293	0.458	8	121.6613	0.955	20	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.2515	0.080	2	121.5293	0.458	8	121.6613	0.955	20	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){2|C<3>,4|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	120.9190	0.000	1	121.5293	0.458	8	121.6613	0.955	20	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.8050	0.000	1	121.8050	0.000	1	121.6613	0.955	20	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,6|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	120.8330	0.000	1	120.8330	0.000	1	121.6613	0.955	20	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C[6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<2>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C[6a]O)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	122.3580	0.000	1	122.3580	0.000	1	121.6613	0.955	20	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	122.0790	0.000	1	121.3245	1.139	2	121.6613	0.955	20	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,7|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.5700	0.000	1	121.3245	1.139	2	121.6613	0.955	20	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HN)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,4|C<4>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HN)(C[6a]C[6a]H){1|H<1>,2|C<3>,3|C<4>}	120.3190	0.303	2	120.3190	0.092	2	121.6613	0.955	20	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]O)(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	122.5010	0.000	1	123.0067	0.234	3	121.6613	0.955	20	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]O)(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){2|H<1>,4|C<3>}	123.2595	0.292	2	123.0067	0.234	3	121.6613	0.955	20	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,6|H<1>}	121.7900	0.000	1	121.7900	0.000	1	121.7900	0.000	1	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,3|C<3>,3|H<1>}	121.7740	0.000	1	121.7740	0.000	1	121.6707	0.205	3	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|N<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	121.1750	0.000	1	121.1750	0.000	1	121.6707	0.205	3	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|S<1>,3|C<3>,3|H<1>}	122.0630	0.000	1	122.0630	0.000	1	121.6707	0.205	3	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5,6]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	121.7940	0.795	3	121.7940	0.632	3	121.9284	0.561	8	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]Cl2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){2|Cl<1>,1|C<3>,1|O<1>,2|H<1>,2|N<2>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]Cl2)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>}	120.9900	0.000	1	120.9900	0.000	1	121.9284	0.561	8	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	121.4690	0.000	1	121.4690	0.000	1	121.9284	0.561	8	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,7|C<3>}	122.5740	0.651	2	122.5740	0.423	2	121.9284	0.561	8	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	122.4380	0.000	1	122.4380	0.000	1	121.9284	0.561	8	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(P[5]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(P[5]C[5]C[6]2)(C[6a]C[6a]H){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	119.5160	0.000	1	119.5160	0.000	1	119.5160	0.000	1	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:O[4,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(O[4,5]In[4,5]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]O[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]O[4,5]C[6a])(P[5]In[4,5]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(O[4,5]In[4,5]2)(C[6a]C[6a]H){4|Cl<1>,1|O<3>,1|P<4>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[4,5])(C[6a]C[6a]H)(H){2|In<6>,1|C<3>,1|C<4>,1|P<4>}	C[5,6a](C[5,6a]O[4,5]C[6a])(P[5]In[4,5]C[6a]2)(C[6a]C[6a]H){1|In<6>,2|Cl<1>,1|C<4>,1|H<1>,1|O<2>,1|O<3>,5|C<3>}	117.8270	0.000	1	117.8270	0.000	1	117.8270	0.000	1	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a](N[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(B[5]C[5,5]C[6a]2)(C[6a]C[6a]H)	C[5,6a](N[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(B[5]C[5,5]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,6|C<3>}	124.9925	0.211	2	124.9925	0.045	2	124.9925	0.045	2	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](N[5,5]C[5,5]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](N[5,5]C[5,5]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,6|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,3|C<4>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	121.0580	0.000	1	121.0580	0.000	1	121.0580	0.000	1	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](N[5,5]C[5,6a]Nb[5,5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(P[5]Nb[5,5]CC)(C[6a]C[6a]H)	C[5,6a](N[5,5]C[5,6a]Nb[5,5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|C<2>,1|O<2>,1|P<4>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|Nb<5>,1|C<4>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(P[5]Nb[5,5]CC)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|H<1>,1|O<2>,1|P<4>,2|C<3>}	117.1750	0.061	2	117.8337	0.506	6	117.9599	0.533	7	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](N[5,5]C[5,6a]Nb[5,5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(P[5]Nb[5,5]CC)(C[6a]C[6a]H)	C[5,6a](N[5,5]C[5,6a]Nb[5,5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|O<2>,1|P<4>,2|H<1>,3|C<3>,4|C<4>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|Nb<6>,1|C<4>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(P[5]Nb[5,5]CC)(C[6a]C[6a]H){1|H<1>,1|O<2>,1|P<4>,2|C<3>,3|C<4>}	118.2390	1.038	2	117.8337	0.506	6	117.9599	0.533	7	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](N[5,5]C[5,6a]Nb[5,5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(P[5]Nb[5,5]CC)(C[6a]C[6a]H)	C[5,6a](N[5,5]C[5,6a]Nb[5,5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|P<4>,2|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|Nb<6>,1|C<4>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(P[5]Nb[5,5]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|P<4>,2|O<2>,3|C<3>}	118.0870	0.351	2	117.8337	0.506	6	117.9599	0.533	7	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](N[5,5]Nb[5,5]C[5,6])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(P[5]Nb[5,5]CC)(C[6a]C[6a]H)	C[5,6a](N[5,5]Nb[5,5]C[5,6])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){4|Cl<1>,1|C<2>,1|P<4>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|Nb<7>,1|C<4>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(P[5]Nb[5,5]CC)(C[6a]C[6a]H){4|Cl<1>,1|C<4>,1|H<1>,1|P<4>,2|C<3>}	118.7170	0.000	1	118.7170	0.000	1	117.9599	0.533	7	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	N[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](N[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]CH)(C[6a]C[6a]H)	C[5,6a](N[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.6365	0.179	2	122.6365	0.032	2	122.9509	1.107	10	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	N[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](N[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]HH)(C[6a]C[6a]H)	C[5,6a](N[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]HH)(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	123.1080	0.000	1	122.6255	0.239	4	122.9509	1.107	10	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	N[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](N[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]HH)(C[6a]C[6a]H)	C[5,6a](N[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.4647	0.451	3	122.6255	0.239	4	122.9509	1.107	10	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	N[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](N[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]CO)(C[6a]C[6a]H)	C[5,6a](N[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]CO)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	124.7980	0.450	2	124.7980	0.202	2	122.9509	1.107	10	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	N[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]C[6a]C)(C[6a]C[6a]H)	C[5,6a](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	122.0060	0.000	1	122.0060	0.000	1	122.9509	1.107	10	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	N[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]C[6a]H)(C[6a]C[6a]H)	C[5,6a](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]C[6a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	122.1320	0.000	1	122.1320	0.000	1	122.9509	1.107	10	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	N[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](N[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5a]C[6a])(P[5]C[5,5a]CO)(C[6a]C[6a]H)	C[5,6a](N[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]N[5,5a]C[6a])(P[5]C[5,5a]CO)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	122.7560	0.000	1	122.7560	0.000	1	122.7560	0.000	1	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	N[5,6,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](N[5,6,6]C[5,3x6]C[6,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]N[5,6,6]C[5,6a])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]N[5,6,6]C[6a])(C[5]C[5,3x6]HH)(C[6a]C[6a]H)	C[5,6a](N[5,6,6]C[5,3x6]C[6,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]N[5,6,6]C[5,6a])(C[6a]C[6a]N)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]N[5,6,6]C[6a])(C[5]C[5,3x6]HH)(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	121.5220	0.000	1	121.5220	0.000	1	121.5220	0.000	1	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](N[5,6]C[4,5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[4,5,6]CC)(C[6a]C[6a]H)	C[5,6a](N[5,6]C[4,5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,3|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[4,5,6]CC)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	120.9562	0.110	4	120.9562	0.012	4	120.7952	0.139	5	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](N[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5,6a](N[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	120.1510	0.000	1	120.1510	0.000	1	120.7952	0.139	5	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](N[5,6]C[6,6a]Nb[5,6])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(P[5]Nb[5,6]CC)(C[6a]C[6a]H)	C[5,6a](N[5,6]C[6,6a]Nb[5,6])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){2|Cl<1>,1|N<2>,1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|Nb<6>,1|C<4>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(P[5]Nb[5,6]CC)(C[6a]C[6a]H){2|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	118.2635	0.532	2	118.2635	0.284	2	118.2635	0.284	2	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]C[5,6a]CO)(C[6a]C[6a]H)	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]C[5,6a]CO)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	121.8400	0.057	2	121.8400	0.003	2	121.9774	0.121	8	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|N<2>,2|H<1>,3|C<3>}	122.5030	0.000	1	122.5030	0.000	1	121.9774	0.121	8	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]C[5,6a]C[5a]O)(C[6a]C[6a]H)	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]C[5,6a]C[5a]O)(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	122.4950	0.000	1	122.4950	0.000	1	121.9774	0.121	8	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](N[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](N[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,6|C<3>}	121.4970	0.000	1	121.4970	0.000	1	121.9774	0.121	8	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](N[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]N[5,6a]CH)(C[6a]C[6a]H)	C[5,6a](N[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]N[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.9110	0.000	1	121.9110	0.000	1	121.9774	0.121	8	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](N[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]N[5,6a]CO)(C[6a]C[6a]H)	C[5,6a](N[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]N[5,6a]CO)(C[6a]C[6a]H){1|F<1>,1|H<1>,3|C<3>}	121.8620	0.000	1	121.8665	0.000	2	121.9774	0.121	8	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](N[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]N[5,6a]CO)(C[6a]C[6a]H)	C[5,6a](N[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]N[5,6a]CO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.8710	0.000	1	121.8665	0.000	2	121.9774	0.121	8	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	O[4,4,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](O[4,4,5]In[3x4,5,5]In[3x4,5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]O[4,4,5]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]O[4,4,5]C[6a])(P[5]In[3x4,5]C[6a]2)(C[6a]C[6a]H)	C[5,6a](O[4,4,5]In[3x4,5,5]In[3x4,5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){3|Cl<1>,2|H<1>,2|O<3>,2|P<4>,3|C<3>}	C[6a](C[5,6a]O[4,4,5]C[5,6a])(C[6a]C[6a]H)(H){2|In<6>,1|C<3>,1|H<1>,1|P<4>}	C[5,6a](C[5,6a]O[4,4,5]C[6a])(P[5]In[3x4,5]C[6a]2)(C[6a]C[6a]H){1|In<6>,2|Cl<1>,2|H<1>,2|O<3>,5|C<3>}	117.7780	0.000	1	117.7780	0.000	1	117.7780	0.000	1	120.7834	1.485	3422	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:5:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-5:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6]2F)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|F<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<5>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6]2F)(C[6a]C[6a]H){3|C<3>,4|C<4>,4|H<1>}	120.1915	0.733	2	120.1915	0.538	2	118.3003	1.209	10	118.3003	1.209	10	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:5:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-5:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]SSU)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|U<12>,2|S<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|P<5>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]SSU)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	117.8275	0.448	8	117.8275	0.201	8	118.3003	1.209	10	118.3003	1.209	10	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:6:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5,5]-6:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]S[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5,5]C[5,6a]3CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]S[5,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<6>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5,5]C[5,6a]3CC)(C[6a]C[6a]H){2|H<1>,7|C<3>}	120.5025	0.224	2	120.5025	0.050	2	120.5025	0.050	2	120.5025	0.050	2	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,5]N[6a])(C[5]C[5,5]O)(C[6a]C[6a]F)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(F)	C[5,6a](C[5,5]C[5,5]C[5]Fe)(C[5,6a]C[6a]C[5])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,5]N[6a])(C[5]C[5,5]O)(C[6a]C[6a]F){1|Fe<10>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(F){1|H<1>,1|N<2>,1|O<1>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]Fe)(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|C<3>,1|F<1>,1|O<1>,2|C<4>,2|H<1>}	116.3255	0.547	2	116.3255	0.299	2	116.3255	0.299	2	117.8727	3.830	4	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6])(H)	C[5,6a](C[5,6]N[5,6]C[6]C)(C[5,6a]C[6a]C[5])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6])(H){1|N<2>,1|N<3>,1|O<1>,4|C<4>}	C[5,6a](C[5,6]N[5,6]C[6]C)(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|O<1>}	120.3190	0.000	1	120.3190	0.000	1	120.3190	0.000	1	117.8727	3.830	4	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,5]N[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,5]N[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|C<4>,1|N<3>,2|H<1>,2|O<1>,3|C<3>}	118.5210	0.000	1	118.5210	0.000	1	118.5210	0.000	1	117.8727	3.830	4	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[3x5])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[3x5])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	117.7127	0.283	18	117.7127	0.080	18	117.7127	0.080	18	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,5,6]C[5])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5,6]C[5])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	119.2100	0.260	2	119.2100	0.068	2	119.2100	0.068	2	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5a]C[5,5a]O[5a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5a]C[5,5a]O[5a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	119.9115	0.129	2	119.9115	0.017	2	120.0244	0.122	5	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5a]2C[5,6a])(C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,5]C[5,5a]2C[5,6a])(C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H){1|S<2>,2|H<1>,6|C<3>}	120.3665	0.011	2	120.3665	0.000	2	120.0244	0.122	5	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5a]C[5,6a]2)(C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,5]C[5,5a]C[5,6a]2)(C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,6|C<3>}	119.5660	0.000	1	119.5660	0.000	1	120.0244	0.122	5	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5a]N[5,5a,6]C[5a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5,5a,6]C[6]H)(C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5a]N[5,5a,6]C[5a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6]N[5,5a,6]C[6]H)(C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H){4|C<3>,4|H<1>}	120.1360	0.000	1	120.1360	0.000	1	120.4060	0.146	2	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5a]N[5,5a]N[5a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]N[5,5a]C[6])(C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5a]N[5,5a]N[5a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6]C[6,6a]N[5,5a]C[6])(C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,6|C<3>}	120.6760	0.000	1	120.6760	0.000	1	120.4060	0.146	2	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5]N[5,5a]C[6a]C[3])(C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|N<2>,3|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5]N[5,5a]C[6a]C[3])(C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<4>,4|C<3>}	120.5530	0.000	1	120.5530	0.000	1	120.5530	0.000	1	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,5,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5,6]O[5]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,5,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5,6]O[5]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	120.1890	0.556	2	120.1890	0.309	2	120.1890	0.309	2	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6,6]C[6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6,6]C[6]Ru)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6,6]C[6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|Ru<11>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6,6]C[6]Ru)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	120.2730	0.000	1	120.2730	0.000	1	120.6350	0.262	2	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6,6]C[6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6]C[5,6,6]N[6]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6,6]C[6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6,6]N[6]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	120.9970	0.000	1	120.9970	0.000	1	120.6350	0.262	2	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]C[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	120.4220	0.000	1	120.4220	0.000	1	120.6873	0.307	4	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]2)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6a]C[5,5]2)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	120.0380	0.000	1	120.0380	0.000	1	120.6873	0.307	4	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[5,5]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]2)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[5,5]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]2)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|S<4>,2|H<1>,6|C<3>}	121.1445	0.108	2	121.1445	0.012	2	120.6873	0.307	4	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,5a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[5,5a]N[5,5a]N[5a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6]C[6,6a]N[5,5a]C[6])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,5a]C[6a])	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[5,5a]N[5,5a]N[5a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a,6a]H)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6]C[6,6a]N[5,5a]C[6])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,5a]C[6a]){1|N<2>,2|H<1>,8|C<3>}	121.9780	0.000	1	121.9780	0.000	1	121.9780	0.000	1	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	B[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,6]N[5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](B[5,5]C[5,6a]2N[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,6]N[5,6]C[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](B[5,5]C[5,6a]2N[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	122.0840	0.000	1	122.0840	0.000	1	122.0840	0.000	1	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	B[5,6a]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]B[5,6a]C[6a])(C[5,6]N[5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](B[5,6a]C[6a,6a]2N[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]B[5,6a]C[6a])(C[5,6]N[5,6]C[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](B[5,6a]C[6a,6a]2N[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	122.5720	0.057	2	122.5720	0.003	2	122.5720	0.003	2	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,5]C[5,6]C[4])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5,6]C[5,6]2)(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[4,5]C[4,5]C[5,6]C[4])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	119.5020	0.048	2	119.5020	0.002	2	119.5020	0.002	2	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<2>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	121.5930	0.000	1	121.5930	0.000	1	120.4857	1.724	3	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]I)(H)	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|I<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]I)(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	119.0350	0.000	1	119.9320	1.609	2	120.4857	1.724	3	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]I)(H)	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|I<1>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]I)(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,7|C<3>}	120.8290	0.000	1	119.9320	1.609	2	120.4857	1.724	3	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	Ge[5,3x6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]Ge[5,3x6]C[6a])(C[5,6]C[5,3x6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](Ge[5,3x6]C[5,3x6]C[6,6]2)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]Ge[5,3x6]C[6a])(C[5,6]C[5,3x6]C[6])(C[6a]C[6a]H){1|H<1>,3|C<4>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|Ge<4>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](Ge[5,3x6]C[5,3x6]C[6,6]2)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]2){3|C<4>,3|H<1>,6|C<3>}	118.8340	0.000	1	118.8340	0.000	1	118.8340	0.000	1	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]2)2(H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H){2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]2)2(H){2|C<4>,5|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]H){1|C<4>,1|H<1>,7|C<3>}	121.0222	0.295	4	121.0222	0.087	4	121.0222	0.087	4	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:F-1:	B[5,5a]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]B[5,5a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]F)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]F)(F)	C[5,6a](B[5,5a]C[5,6a]N[5a,6]O[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]F)	C[5,6a](C[5,6a]B[5,5a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]F){1|N<3>,1|O<2>,3|C<3>,3|F<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]F)(F){1|B<4>,1|F<1>,3|C<3>}	C[5,6a](B[5,5a]C[5,6a]N[5a,6]O[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]F){2|F<1>,6|C<3>}	119.0260	0.103	2	119.0260	0.011	2	119.0260	0.011	2	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:F-1:	B[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,6]C[6a])(C[6a]C[6a]F)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]F)(F)	C[5,6a](B[5,6]C[5,6a]N[5a,6]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]F)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,6]C[6a])(C[6a]C[6a]F){2|N<3>,3|C<3>,3|F<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]F)(F){1|B<4>,1|F<1>,3|C<3>}	C[5,6a](B[5,6]C[5,6a]N[5a,6]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]F){2|F<1>,7|C<3>}	118.8278	0.305	4	118.8278	0.093	4	118.8278	0.093	4	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:F-1:	B[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]F)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]F)(F)	C[5,6a](B[5]C[5,6a]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]F)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]F){1|O<3>,3|F<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]F)(F){1|B<4>,1|F<1>,3|C<3>}	C[5,6a](B[5]C[5,6a]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]F){2|C<4>,2|F<1>,5|C<3>}	119.5395	0.203	4	119.5395	0.041	4	119.5395	0.041	4	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	As[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]As[5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](As[5]C[5,6a]C[6a]Pd)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]As[5]C[6a])(C[6a]C[6a]H){1|Pd<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|As<4>,1|H<1>,3|C<3>}	C[5,6a](As[5]C[5,6a]C[6a]Pd)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	118.9055	0.401	2	118.9055	0.161	2	118.3978	1.164	20	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	As[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]As[5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](As[5]C[5,6a]C[6a]Pt)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]As[5]C[6a])(C[6a]C[6a]H){1|Pt<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|As<4>,1|H<1>,3|C<3>}	C[5,6a](As[5]C[5,6a]C[6a]Pt)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	118.3414	1.121	18	118.3414	1.258	18	118.3978	1.164	20	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	B[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](B[5,5]C[5,6a]2N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,5]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5,6a](B[5,5]C[5,6a]2N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	120.8380	0.310	2	120.8380	0.096	2	120.8380	0.096	2	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	B[5,5a]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]B[5,5a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](B[5,5a]C[5,6a]N[5a,6]O[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]B[5,5a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5,6a](B[5,5a]C[5,6a]N[5a,6]O[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	120.8872	0.162	4	120.8872	0.026	4	120.8872	0.026	4	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	B[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](B[5,6]C[5,6a]C[6]P[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|P<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5,6a](B[5,6]C[5,6a]C[6]P[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){3|C<4>,4|C<3>,4|H<1>}	121.5870	0.168	2	121.5870	0.028	2	121.2365	0.159	22	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	B[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](B[5,6]C[5,6a]N[5,6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5,6a](B[5,6]C[5,6a]N[5,6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	121.1187	0.319	6	121.1187	0.102	6	121.2365	0.159	22	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	B[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](B[5,6]C[5,6a]N[5a,6]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H){2|N<3>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5,6a](B[5,6]C[5,6a]N[5a,6]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	121.1913	0.159	6	121.1913	0.025	6	121.2365	0.159	22	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	B[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](B[5,6]C[5,6a]N[6,6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5,6a](B[5,6]C[5,6a]N[6,6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	121.0775	0.148	2	121.0775	0.022	2	121.2365	0.159	22	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	B[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](B[5,6]C[5,6a]N[6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5,6a](B[5,6]C[5,6a]N[6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	121.3357	0.663	6	121.3357	0.440	6	121.2365	0.159	22	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	B[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](B[5]C[5,6a]C[6a]N[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5,6a](B[5]C[5,6a]C[6a]N[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	121.0940	0.748	6	121.0940	0.560	6	121.0940	0.560	6	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[5,6a]C[4,5]C[4])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[4,5]C[5,6a]C[4,5]C[4])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	120.5990	0.098	4	120.3917	0.111	6	120.4193	0.082	8	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[5,6a]C[4,5]C[4])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[4,5]C[5,6a]C[4,5]C[4])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	119.9770	0.098	2	120.3917	0.111	6	120.4193	0.082	8	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[5,6a]C[4,5]Ge[4])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H){1|Ge<4>,1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[4,5]C[5,6a]C[4,5]Ge[4])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,2|O<2>,6|C<3>}	120.5020	0.038	2	120.5020	0.001	2	120.4193	0.082	8	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>,6|C<4>}	121.2750	0.000	1	121.2750	0.000	1	121.2750	0.000	1	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	119.8478	0.505	26	119.8478	0.255	26	120.4450	0.642	111	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5,6a]C[5]C)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5,6a]C[5]C)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	119.8690	0.069	2	119.8690	0.005	2	120.4450	0.642	111	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5,6a]N[5]C)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5,6a]N[5]C)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	119.9490	0.584	2	119.9490	0.341	2	120.4450	0.642	111	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5,6]C[5,6a]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5,6]C[5,6a]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	120.5400	0.109	2	120.5400	0.012	2	120.4450	0.642	111	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5a]C[5,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5a]C[5,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,6|C<3>}	119.9520	0.137	2	119.9520	0.019	2	120.4450	0.642	111	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|I<1>,2|H<1>,6|C<3>}	119.9147	0.547	4	119.9927	0.195	6	120.4450	0.642	111	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	120.1485	0.076	2	119.9927	0.195	6	120.4450	0.642	111	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	120.2590	0.000	1	119.8190	0.387	2	120.4450	0.642	111	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,8|C<3>}	119.3790	0.000	1	119.8190	0.387	2	120.4450	0.642	111	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]2N[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]2N[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	120.7130	0.356	2	120.7130	0.127	2	120.4450	0.642	111	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|Br<1>,2|C<4>,2|H<1>,5|C<3>}	119.4385	0.301	2	119.4385	0.090	2	120.4450	0.642	111	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[4,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[4,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	119.6110	0.106	2	119.6110	0.011	2	120.4450	0.642	111	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	120.2542	0.535	4	120.2542	0.286	4	120.4450	0.642	111	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]N[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]N[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	120.7280	0.523	2	120.7280	0.274	2	120.4450	0.642	111	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]S[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]S[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|H<1>,5|C<3>}	120.7635	0.403	4	120.7635	0.162	4	120.4450	0.642	111	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	119.8295	0.185	2	119.8295	0.034	2	120.4450	0.642	111	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,7|C<3>}	121.0290	0.000	1	120.6223	0.500	4	120.4450	0.642	111	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,2|N<3>,7|C<3>}	121.0060	0.000	1	120.6223	0.500	4	120.4450	0.642	111	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,7|C<3>}	120.2270	0.935	2	120.6223	0.500	4	120.4450	0.642	111	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<3>,2|H<1>,5|C<3>}	120.6423	0.177	4	120.2448	0.404	6	120.4450	0.642	111	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	119.4500	0.170	2	120.2448	0.404	6	120.4450	0.642	111	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	120.2680	0.470	2	120.2680	0.220	2	120.4450	0.642	111	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	120.1025	0.139	2	120.1025	0.019	2	120.4450	0.642	111	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]Ge[5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|Ge<4>,1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]Ge[5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,3|H<1>,6|C<3>}	121.2425	0.094	4	121.2425	0.009	4	120.4450	0.642	111	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){3|C<4>,3|H<1>,4|C<3>}	120.7215	0.288	2	120.7215	0.083	2	120.4450	0.642	111	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]Si[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|Si<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]Si[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,3|C<4>,5|C<3>}	119.5070	0.098	2	119.5070	0.010	2	120.4450	0.642	111	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]I)(H)	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|I<1>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]I)(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	121.0795	0.684	2	121.3305	2.620	4	120.4450	0.642	111	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]I)(H)	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|I<1>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]I)(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,7|C<3>}	121.5815	2.672	2	121.3305	2.620	4	120.4450	0.642	111	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H)	C[5,6a](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	121.9400	0.000	1	121.9400	0.000	1	120.4450	0.642	111	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[3,5]N[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3,5]N[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<2>,4|C<4>}	120.8690	0.000	1	120.8690	0.000	1	120.4450	0.642	111	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[3,5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3,5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,2|N<2>,3|C<3>}	120.9430	0.246	2	120.9430	0.061	2	120.4450	0.642	111	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|N<2>,3|H<1>,4|C<3>}	121.5770	0.040	2	121.5770	0.002	2	120.4450	0.642	111	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]N[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]N[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,2|N<2>,3|C<3>,3|C<4>}	121.7570	0.000	1	121.7570	0.000	1	120.4450	0.642	111	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5,6]N[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,6]N[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|C<3>,2|N<2>,3|C<4>,3|H<1>}	121.2440	1.039	2	121.2440	1.080	2	120.4450	0.642	111	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<2>,4|C<4>}	120.8950	0.294	2	120.8950	0.087	2	120.4450	0.642	111	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,2|N<2>,3|C<4>}	121.5430	0.000	1	121.3072	0.057	6	120.4450	0.642	111	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|N<2>,4|H<1>}	121.4125	0.262	2	121.3072	0.057	6	120.4450	0.642	111	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|C<3>,2|N<2>,3|C<4>,3|H<1>}	121.1583	0.187	3	121.3072	0.057	6	120.4450	0.642	111	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<2>,2|C<3>,2|H<1>,2|N<2>,3|C<4>}	121.3860	0.000	1	121.4068	0.058	8	120.4450	0.642	111	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<3>,2|N<2>,3|H<1>,4|C<4>}	121.2900	0.000	1	121.4068	0.058	8	120.4450	0.642	111	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|C<3>,2|N<2>,3|C<4>,3|H<1>}	121.4297	0.279	6	121.4068	0.058	8	120.4450	0.642	111	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]O[5])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]O[5])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a]){2|C<4>,4|H<1>,5|C<3>}	121.3770	0.000	1	121.3770	0.000	1	121.3770	0.000	1	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]F)(H)	C[5,6a](C[5,6]C[5,6,6a]C[6,6a]C)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|F<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6,6a]C[6,6a]C)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	121.1005	0.120	2	121.1005	0.014	2	120.2362	0.630	88	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6,6a]C[6,6a]C)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6,6a]C[6,6a]C)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	120.3115	0.235	4	120.3115	0.055	4	120.2362	0.630	88	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<2>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	120.5220	0.000	1	120.5220	0.000	1	120.2362	0.630	88	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6,6a]C[6]O)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6,6a]C[6]O)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	120.8695	0.371	2	120.8695	0.138	2	120.2362	0.630	88	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|O<1>,2|H<1>,6|C<3>}	120.4420	0.000	1	120.4420	0.000	1	120.2362	0.630	88	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6a]C[5,6]S[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6a]C[5,6]S[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,2|S<2>,5|C<3>}	120.9710	0.199	4	120.9710	0.040	4	120.2362	0.630	88	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6a]C[5a,6]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6a]C[5a,6]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|I<1>,2|H<1>,6|C<3>}	119.7605	0.045	2	119.7605	0.002	2	120.2362	0.630	88	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){2|H<1>,9|C<3>}	121.2299	0.864	7	121.2299	0.746	7	120.2362	0.630	88	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,7|C<3>}	120.4075	0.595	2	119.9626	0.600	52	120.2362	0.630	88	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	120.1548	0.730	34	119.9626	0.600	52	120.2362	0.630	88	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,7|C<3>}	119.5195	0.729	15	119.9626	0.600	52	120.2362	0.630	88	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,8|C<3>}	119.1840	0.000	1	119.9626	0.600	52	120.2362	0.630	88	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,6|C<3>}	120.1375	0.239	4	120.1262	0.044	5	120.2362	0.630	88	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	120.0810	0.000	1	120.1262	0.044	5	120.2362	0.630	88	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6a]C[6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	120.5173	0.230	4	120.5173	0.053	4	120.2362	0.630	88	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6a]Ge[6]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|Ge<4>,1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6a]Ge[6]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|O<2>,3|H<1>,7|C<3>}	120.9555	0.835	2	120.9555	0.697	2	120.2362	0.630	88	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,6|C<3>}	119.3330	0.000	1	119.3330	0.000	1	120.2362	0.630	88	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6a]C[5a,6]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6]C[5,6a]C[5a,6]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<2>,2|H<1>,2|N<2>,4|C<3>}	120.6210	0.000	1	120.6210	0.000	1	120.2362	0.630	88	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]O)(H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H){1|O<2>,7|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]O)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a]){1|O<2>,2|H<1>,8|C<3>}	120.7540	0.000	1	120.7540	0.000	1	120.7540	0.000	1	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5]C[5,6a]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5,6a](C[5]C[5,6a]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	119.8470	0.000	1	119.8470	0.000	1	120.2390	0.087	7	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5]C[5,6a]C[6a]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5]C[5,6a]C[6a]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	120.3043	0.261	6	120.3043	0.068	6	120.2390	0.087	7	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	Ga[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Ga[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](Ga[5,5]C[5,6a]2N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Ga[5,5]C[6a])(C[6a]C[6a]H){1|N<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Ga<4>,1|H<1>,3|C<3>}	C[5,6a](Ga[5,5]C[5,6a]2N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<4>,5|C<3>}	119.9480	0.164	4	119.9480	0.027	4	119.9480	0.027	4	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	Ge[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Ge[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](Ge[5]C[5,6a]Ge[5]Pt)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Ge[5])(C[6a]C[6a]H){1|Ge<4>,1|Pt<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Ge<4>,1|H<1>,3|C<3>}	C[5,6a](Ge[5]C[5,6a]Ge[5]Pt)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|Ge<4>,2|H<1>,5|C<3>}	119.1070	0.431	4	119.1070	0.186	4	119.1070	0.186	4	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	In[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]In[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](In[5,5]C[5,6a]2N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]In[5,5]C[6a])(C[6a]C[6a]H){1|N<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|In<4>,1|H<1>,3|C<3>}	C[5,6a](In[5,5]C[5,6a]2N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<4>,5|C<3>}	118.7935	0.344	2	118.7935	0.119	2	118.7935	0.119	2	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	Si[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Si[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](Si[5,6]C[5,6a]C[6]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Si[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](Si[5,6]C[5,6a]C[6]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,6|H<1>}	120.0560	0.330	2	120.0560	0.109	2	120.0560	0.109	2	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	Si[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](Si[5]C[5,6a]Si[5]Pd)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){1|Pd<4>,1|Si<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](Si[5]C[5,6a]Si[5]Pd)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|Si<4>,2|H<1>,5|C<3>}	119.2930	0.997	2	119.2930	0.994	2	119.2333	0.400	10	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	Si[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](Si[5]C[5,6a]Si[5]Pt)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){1|Pt<4>,1|Si<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](Si[5]C[5,6a]Si[5]Pt)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|Si<4>,2|H<1>,5|C<3>}	118.9610	0.776	4	118.9610	0.602	4	119.2333	0.400	10	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	Si[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](Si[5]C[5,6a]Si[5]Si)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|Si<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](Si[5]C[5,6a]Si[5]Si)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|Si<4>,2|H<1>,5|C<3>}	119.4758	0.297	4	119.4758	0.088	4	119.2333	0.400	10	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]C[6a])(C[6a]C[6a]Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]C[6a])(C[6a]C[6a]Cl){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|Cl<1>,2|C<4>,6|C<3>}	119.0060	0.000	1	119.0060	0.000	1	118.2385	1.178	2	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]Cl){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|Cl<1>,2|C<4>,2|H<1>,4|C<3>}	117.4710	0.000	1	117.4710	0.000	1	118.2385	1.178	2	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|O<1>,4|H<1>}	122.0810	0.000	1	122.0810	0.000	1	122.0810	0.000	1	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3x5]C[6a])(C[5]C[3x5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[3x5]C[3x5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[5]C[3x5]O)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[3x5]C[3x5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	120.7560	0.000	1	121.5030	1.116	2	121.5940	0.583	3	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3x5]C[6a])(C[5]C[3x5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[3x5]C[3x5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[5]C[3x5]O)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[3x5]C[3x5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	122.2500	0.000	1	121.5030	1.116	2	121.5940	0.583	3	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3x5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[3x5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[3x5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	121.7760	0.000	1	121.7760	0.000	1	121.5940	0.583	3	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5,5,6]C[6a])(C[5]C[4,5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5,5,6]C[4,5,5]C[4,6]O[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5,5,6]C[6a])(C[5]C[4,5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[4,5,5,6]C[4,5,5]C[4,6]O[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	121.0180	0.000	1	121.0180	0.000	1	121.0180	0.000	1	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,5]2C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[4,5]C[4,5]2C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	121.9723	0.468	15	121.8268	0.285	19	121.6695	0.515	22	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,5]2C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[4,5]C[4,5]2C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	121.2812	0.427	4	121.8268	0.285	19	121.6695	0.515	22	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,5]C[4]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]O)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[4,5]C[4,5]C[4]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	121.8830	0.000	1	121.8830	0.000	1	121.6695	0.515	22	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]P)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,5]C[4]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]P)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[4,5]C[4,5]C[4]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|P<4>,2|H<1>,3|C<3>}	119.9310	0.000	1	119.9310	0.000	1	121.6695	0.515	22	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	120.2060	0.000	1	120.2060	0.000	1	121.6695	0.515	22	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,3x6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,3x6]C[6a])(C[5]C[5,6,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,3x6]C[5,5,6,6]C[5,6,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,3x6]C[6a])(C[5]C[5,6,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,3x6]C[5,5,6,6]C[5,6,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<4>,3|H<1>,4|C<3>}	121.0920	0.000	1	121.0920	0.000	1	121.2375	0.291	6	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,3x6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,3x6]C[6a])(C[5]C[5,6,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,3x6]C[5,6,6]3)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,3x6]C[6a])(C[5]C[5,6,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,3x6]C[5,6,6]3)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	121.2666	0.598	5	121.2666	0.358	5	121.2375	0.291	6	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(C[5]C[5,5,6,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6,6]C[5,5,6,6]C[3x6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(C[5]C[5,5,6,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,5,6,6]C[5,5,6,6]C[3x6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,3|C<3>,3|H<1>,4|C<4>}	121.1180	0.000	1	121.1180	0.000	1	121.5747	0.199	3	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(C[5]C[5,5,6,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(C[5]C[5,5,6,6]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>}	C[5,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,7|C<3>}	122.0100	0.000	1	122.0100	0.000	1	121.5747	0.199	3	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6,6]C[5,5,6]C[5,6,6]O[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,5,6,6]C[5,5,6]C[5,6,6]O[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	121.5960	0.000	1	121.5960	0.000	1	121.5747	0.199	3	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[3x5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[3x5,6]C[5,5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[3x5,6]O)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,5,6]C[3x5,6]C[5,5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|C<3>,3|H<1>}	121.2320	0.000	1	121.2320	0.000	1	120.1395	0.863	11	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[3x5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[3x5,6]O[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[3x5,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,5,6]C[3x5,6]O[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	120.7600	0.000	1	120.7600	0.000	1	120.1395	0.863	11	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){2|C<3>,3|C<4>,4|H<1>}	119.7052	0.441	5	119.7052	0.195	5	120.1395	0.863	11	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	119.5490	0.000	1	119.1445	0.327	2	120.1395	0.863	11	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	118.7400	0.000	1	119.1445	0.327	2	120.1395	0.863	11	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]N[5,6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,5,6]C[5,5,6]N[5,6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|N<3>,2|O<1>,3|C<3>}	121.2390	0.000	1	121.2390	0.000	1	120.1395	0.863	11	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	121.4880	0.000	1	121.4880	0.000	1	120.1395	0.863	11	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[3x5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[3x5]C[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[3x5]O)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,5]C[3x5]C[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	120.9672	0.113	5	120.9672	0.013	5	121.1398	0.965	112	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[3x5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[3x5]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[3x5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|N<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,5]C[3x5]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	121.4318	0.268	6	121.4318	0.072	6	121.1398	0.965	112	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[3x5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[3x5]O[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[3x5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,5]C[3x5]O[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	121.3378	0.388	6	121.3378	0.151	6	121.1398	0.965	112	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5,6,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5,6,6]C[5,6a]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5,6,6]O)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,5]C[5,5,6,6]C[5,6a]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	121.5870	0.000	1	121.5870	0.000	1	121.1398	0.965	112	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]B[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]H){1|B<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]B[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<3>,2|H<1>,4|C<3>}	119.8210	0.000	1	119.8210	0.000	1	121.1398	0.965	112	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	120.4430	0.000	1	120.4430	0.000	1	121.1398	0.965	112	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	120.1870	0.000	1	120.1870	0.000	1	121.1398	0.965	112	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	120.4320	0.000	1	120.4320	0.000	1	121.1398	0.965	112	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	119.5340	0.000	1	119.7930	0.172	3	121.1398	0.965	112	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	120.2710	0.000	1	119.7930	0.172	3	121.1398	0.965	112	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,2|C<3>,5|C<4>}	119.5740	0.000	1	119.7930	0.172	3	121.1398	0.965	112	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	118.8900	0.882	4	118.8900	0.779	4	121.1398	0.965	112	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Ni<5>,1|O<2>,2|C<3>,4|H<1>}	119.6790	0.000	1	119.6790	0.000	1	121.1398	0.965	112	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|O<2>,3|C<3>,3|H<1>}	122.2030	0.000	1	122.2030	0.000	1	121.1398	0.965	112	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	121.4240	0.000	2	121.4240	0.000	2	121.1398	0.965	112	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]Fe)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|Fe<10>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]Fe)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	121.1413	0.450	3	121.1413	0.203	3	121.1398	0.965	112	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	121.8910	0.000	1	121.8910	0.000	1	121.1398	0.965	112	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	122.6010	0.000	1	122.1893	0.155	3	121.1398	0.965	112	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	121.8170	0.000	1	122.1893	0.155	3	121.1398	0.965	112	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	122.1500	0.000	1	122.1893	0.155	3	121.1398	0.965	112	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|O<1>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	121.8790	0.000	1	121.6790	0.341	3	121.1398	0.965	112	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|O<2>,3|C<3>,3|H<1>}	122.1370	0.000	1	121.6790	0.341	3	121.1398	0.965	112	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,3|O<2>}	121.0210	0.000	1	121.6790	0.341	3	121.1398	0.965	112	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,5]C[5,5]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	121.8080	0.000	1	121.8080	0.000	1	121.1398	0.965	112	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	121.7115	0.514	2	121.7115	0.264	2	121.1398	0.965	112	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5]N)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,5]C[5,5]N[5]N)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	121.3060	0.000	1	121.3060	0.000	1	121.1398	0.965	112	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<3>,2|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,5]C[5,5]N[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	121.2310	0.000	1	121.4731	0.045	9	121.1398	0.965	112	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,5]C[5,5]N[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	121.4934	0.219	7	121.4731	0.045	9	121.1398	0.965	112	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,5]C[5,5]N[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	121.5730	0.000	1	121.4731	0.045	9	121.1398	0.965	112	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]O[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,5]C[5,5]O[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	121.7470	0.000	1	121.2987	0.141	9	121.1398	0.965	112	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]O[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){2|C<3>,2|H<1>,3|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,5]C[5,5]O[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	121.1999	0.365	7	121.2987	0.141	9	121.1398	0.965	112	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]O[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,5]C[5,5]O[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	121.5420	0.000	1	121.2987	0.141	9	121.1398	0.965	112	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,6|C<3>}	119.6370	0.000	1	119.6370	0.000	1	121.1398	0.965	112	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,5]C[5,6a]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,7|C<3>}	120.0190	0.000	1	120.0190	0.000	1	121.1398	0.965	112	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,7|C<3>}	119.5125	0.298	2	119.5125	0.089	2	121.1398	0.965	112	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|S<1>,2|H<1>,5|C<3>}	119.8020	0.000	1	119.4864	0.106	5	121.1398	0.965	112	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	119.5550	0.042	2	119.4864	0.106	5	121.1398	0.965	112	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	119.2600	0.458	2	119.4864	0.106	5	121.1398	0.965	112	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|I<1>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|I<1>,1|S<4>,2|H<1>,4|C<3>}	120.7050	0.000	1	119.9718	0.195	5	121.1398	0.965	112	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|I<1>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|I<1>,3|H<1>,5|C<3>}	119.8800	0.109	2	119.9718	0.195	5	121.1398	0.965	112	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|H<1>,5|C<3>}	119.8720	0.000	1	119.9718	0.195	5	121.1398	0.965	112	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|H<1>,5|C<3>}	119.5220	0.000	1	119.9718	0.195	5	121.1398	0.965	112	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|I<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|I<1>,2|H<1>,5|C<3>}	119.9280	0.000	1	119.9280	0.000	1	121.1398	0.965	112	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,5]N[5,5]C[6a]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,5]N[5,5]C[6a]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	121.6970	0.000	1	121.6970	0.000	1	121.1398	0.965	112	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6])	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6]){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	123.4320	0.000	1	123.4320	0.000	1	121.1398	0.965	112	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[3x3,3x5,12x6]N[5,5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|C<6>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,5]C[3x3,3x5,12x6]N[5,5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Co<10>,1|C<3>,1|C<6>,1|O<1>,2|C<4>,2|H<1>,3|B<6>}	122.0910	0.000	1	122.0910	0.000	1	121.1398	0.965	112	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6,6]N[5,5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,5]C[5,6,6]N[5,5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	122.1360	0.000	1	122.1360	0.000	1	121.1398	0.965	112	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,2|H<1>,3|C<3>}	121.6140	0.073	3	121.6289	0.053	10	121.1398	0.965	112	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,3|C<3>,3|H<1>}	121.5883	0.221	3	121.6289	0.053	10	121.1398	0.965	112	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	121.8275	0.251	2	121.6289	0.053	10	121.1398	0.965	112	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,4|H<1>}	121.5135	0.445	2	121.6289	0.053	10	121.1398	0.965	112	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]N[5])	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]N[5]){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	122.1090	0.000	1	122.1090	0.000	1	121.1398	0.965	112	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6])	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6]){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	122.8565	0.210	2	122.8565	0.044	2	121.1398	0.965	112	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	121.2180	0.000	1	121.3520	0.036	2	121.1398	0.965	112	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	121.4860	0.000	1	121.3520	0.036	2	121.1398	0.965	112	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,5]N[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	122.5240	0.051	3	122.1232	0.189	8	121.1398	0.965	112	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,5]N[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	121.9200	0.000	1	122.1232	0.189	8	121.1398	0.965	112	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,5]N[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	122.2860	0.000	1	122.1232	0.189	8	121.1398	0.965	112	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,5]N[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	121.5085	0.067	2	122.1232	0.189	8	121.1398	0.965	112	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){2|C<3>,2|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,5]N[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	122.1910	0.000	1	122.1232	0.189	8	121.1398	0.965	112	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[5]P)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,5]N[5,5]C[5]P)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	121.3320	0.000	1	121.3320	0.000	1	121.1398	0.965	112	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[5a]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,5]N[5,5]C[5a]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	121.6880	0.000	1	121.6880	0.000	1	121.1398	0.965	112	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[6a]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,5]N[5,5]C[6a]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,6|C<3>}	121.2860	0.000	1	121.0020	0.161	2	121.1398	0.965	112	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[6a]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,5]N[5,5]C[6a]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	120.7180	0.000	1	121.0020	0.161	2	121.1398	0.965	112	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]O[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,5]N[5,5]O[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	121.5750	0.000	1	121.5750	0.000	1	121.1398	0.965	112	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6]C[5,3x6]C[5,6,6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6,6]C[5,3x6]C[5,6,6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	120.8500	0.000	1	120.8500	0.000	1	121.5812	0.239	18	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6]C[5,3x6]C[5,6,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6,6]C[5,3x6]C[5,6,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	121.7728	0.412	5	121.7728	0.170	5	121.5812	0.239	18	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|O<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,4|C<4>,5|H<1>}	122.2950	0.000	1	122.2950	0.000	1	121.5812	0.239	18	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6]Br)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6]Br)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|O<2>,4|C<4>,4|H<1>}	122.0480	0.000	1	122.0480	0.000	1	121.5812	0.239	18	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6]C[6,6a]C[5,6]C[6,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6,6]C[6,6a]C[5,6]C[6,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<4>,3|H<1>,4|C<3>}	120.8160	0.000	1	120.8160	0.000	1	121.5812	0.239	18	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6]Cl)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6]Cl)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|O<2>,4|C<4>,4|H<1>}	122.2100	0.000	1	122.2100	0.000	1	121.5812	0.239	18	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6]C[5,6,6]C[5,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6,6]C[5,6,6]C[5,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	121.3565	0.190	2	121.3565	0.036	2	121.5812	0.239	18	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	120.9850	0.000	1	120.9850	0.000	1	121.5812	0.239	18	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6]C[5,6,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6,6]C[5,6,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	121.3730	0.522	2	121.3730	0.272	2	121.5812	0.239	18	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]N[5,6,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6]N[5,6,6]C[3x6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]N[5,6,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6,6]N[5,6,6]C[3x6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	121.4150	0.000	1	121.6450	0.043	3	121.5812	0.239	18	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]N[5,6,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6]N[5,6,6]C[3x6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]N[5,6,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6,6]N[5,6,6]C[3x6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	121.7600	0.081	2	121.6450	0.043	3	121.5812	0.239	18	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6]C[5,5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	121.8380	0.000	1	121.8380	0.000	1	121.2067	1.304	87	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	119.8510	0.000	1	119.8510	0.000	1	121.2067	1.304	87	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6a]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6a]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	120.1210	0.000	1	120.1210	0.000	1	121.2067	1.304	87	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[5a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[5a])(C[6a]C[6a]H){1|N<2>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	117.8970	0.000	1	118.7993	2.225	3	121.2067	1.304	87	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[5a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[5a])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.2505	1.797	2	118.7993	2.225	3	121.2067	1.304	87	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[5a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]S[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[5a])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]S[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.5955	0.076	2	119.5955	0.006	2	121.2067	1.304	87	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	119.9960	0.000	1	119.9960	0.000	1	121.2067	1.304	87	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]O[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]O[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	120.4910	0.000	1	120.4910	0.000	1	121.2067	1.304	87	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]C)(H)	C[5,6a](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[6a]C[5])(C[6a]N[6a]C)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,4|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]C)(H){1|C<4>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[6a]C[5])(C[6a]N[6a]C){2|C<4>,3|H<1>,4|C<3>}	119.7625	0.858	2	119.7625	0.736	2	121.2067	1.304	87	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	119.7700	0.000	1	119.7700	0.000	1	121.2067	1.304	87	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|F<1>,2|C<3>,4|H<1>}	120.3380	0.000	1	120.3380	0.000	1	121.2067	1.304	87	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6]C[6,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,6|C<3>}	120.2590	0.000	1	120.2590	0.000	1	121.2067	1.304	87	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]N)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]N)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,2|C<4>,4|H<1>}	125.1560	0.000	1	121.9993	7.502	3	121.2067	1.304	87	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]N)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]N)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,5|C<4>}	120.4210	0.240	2	121.9993	7.502	3	121.2067	1.304	87	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]N)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]Rh)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]N)(C[6a]C[6a]H){1|Rh<8>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]Rh)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	118.7920	0.000	1	118.7920	0.000	1	121.2067	1.304	87	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6]C[6,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6]C[6,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	121.9940	0.000	1	121.9940	0.000	1	121.2067	1.304	87	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|F<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	123.1960	0.000	1	123.1960	0.000	1	121.2067	1.304	87	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	121.9490	0.000	1	121.9490	0.000	1	121.2067	1.304	87	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	121.3687	0.223	6	121.3687	0.050	6	121.2067	1.304	87	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	121.8430	0.000	1	121.8430	0.000	1	121.2067	1.304	87	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	119.9290	0.665	2	119.9290	0.442	2	121.2067	1.304	87	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	122.4430	0.000	1	122.4430	0.000	1	121.2067	1.304	87	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6a]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6]C[5,6]C[6a]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	120.6670	0.000	1	120.6670	0.000	1	121.2067	1.304	87	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	121.3040	0.000	1	121.3040	0.000	1	121.2067	1.304	87	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]N[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6]C[5,6]N[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	121.0210	0.000	1	121.0210	0.000	1	121.2067	1.304	87	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]O[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6]C[5,6]O[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	121.1230	0.143	2	121.1230	0.020	2	121.2067	1.304	87	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|O<1>,2|C<4>}	C[5,6a](C[5,6]C[6,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<1>,2|H<1>,5|C<3>}	121.8060	0.000	1	122.0855	0.156	2	121.2067	1.304	87	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6]C[6,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	122.3650	0.000	1	122.0855	0.156	2	121.2067	1.304	87	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	121.9190	0.000	1	121.9190	0.000	1	121.2067	1.304	87	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5a]C[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6]C[6,6a]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,7|C<3>}	120.0890	0.000	1	120.0890	0.000	1	121.2067	1.304	87	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5a]C[5])(C[6a]C[6a]H){1|S<2>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,6|C<3>}	120.1150	0.000	1	120.1150	0.000	1	121.2067	1.304	87	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	120.4320	0.000	1	120.4320	0.000	1	121.2067	1.304	87	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<3>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	121.0920	0.000	1	121.0920	0.000	1	121.2067	1.304	87	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	119.9375	0.224	2	119.8642	0.239	4	121.2067	1.304	87	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|Si<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Si<4>,1|O<1>,2|H<1>,5|C<3>}	120.3590	0.000	1	119.8642	0.239	4	121.2067	1.304	87	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,7|C<3>}	119.2230	0.000	1	119.8642	0.239	4	121.2067	1.304	87	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]C[6]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6]C[6,6a]C[6]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){3|H<1>,5|C<3>}	121.3330	0.000	2	121.3330	0.000	2	121.2067	1.304	87	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6]N[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6]N[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	121.7670	0.000	1	121.7670	0.000	1	121.2067	1.304	87	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[3x3,3x5,12x6]N[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|C<6>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6]C[3x3,3x5,12x6]N[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Co<10>,1|C<3>,1|C<6>,1|O<1>,2|C<4>,2|H<1>,3|B<6>}	122.6680	0.000	1	122.6680	0.000	1	121.2067	1.304	87	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	121.9537	0.566	3	121.8225	0.283	4	121.2067	1.304	87	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[5,6a](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	121.4290	0.000	1	121.8225	0.283	4	121.2067	1.304	87	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6]C[5,6]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	122.1110	0.000	1	122.2670	0.080	3	121.2067	1.304	87	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6]C[5,6]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	122.3450	0.351	2	122.2670	0.080	3	121.2067	1.304	87	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5a,6]N[5,6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6]C[5a,6]N[5,6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	121.8150	0.000	1	121.8150	0.000	1	121.2067	1.304	87	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5a,6]N[5,6]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6]C[5a,6]N[5,6]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	120.9080	0.000	1	120.9080	0.000	1	121.2067	1.304	87	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5a,6]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6]C[5a,6]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	121.5620	0.040	2	121.5620	0.002	2	121.2067	1.304	87	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5a,6]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6]C[5a,6]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	121.6810	0.000	1	121.6810	0.000	1	121.2067	1.304	87	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]N[5,6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6]C[6,6a]N[5,6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	122.2780	0.000	1	122.2780	0.000	1	121.2067	1.304	87	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]N[5,6]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6]C[6,6a]N[5,6]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	122.2000	0.000	1	122.2000	0.000	1	121.2067	1.304	87	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6]C[6,6a]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	121.9971	0.384	8	121.9971	0.148	8	121.2067	1.304	87	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C[5,6a](C[5,6]C[6,6a]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	122.5480	0.000	1	122.5480	0.000	1	121.2067	1.304	87	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6]N[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	120.7400	0.000	1	120.7400	0.000	1	121.2067	1.304	87	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6]N[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	121.6467	0.458	3	121.6838	0.108	5	121.2067	1.304	87	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6]N[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	121.7340	0.000	1	121.6838	0.108	5	121.2067	1.304	87	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6]N[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	121.7450	0.000	1	121.6838	0.108	5	121.2067	1.304	87	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5,6]C[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6]N[5,6]C[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	120.7840	0.000	1	121.2153	0.393	3	121.2067	1.304	87	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5,6]C[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6]N[5,6]C[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	120.9280	0.000	1	121.2153	0.393	3	121.2067	1.304	87	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5,6]C[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6]N[5,6]C[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	121.9340	0.000	1	121.2153	0.393	3	121.2067	1.304	87	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6]N[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	121.8830	0.000	1	121.9597	0.063	3	121.2067	1.304	87	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6]N[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	122.2400	0.000	1	121.9597	0.063	3	121.2067	1.304	87	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6]N[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	121.7560	0.000	1	121.9597	0.063	3	121.2067	1.304	87	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[5]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6]C[6,6a]C[6]N[5])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[5]C[6a]N[5])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|C<4>,1|N<2>,3|C<3>}	C[5,6a](C[5,6]C[6,6a]C[6]N[5])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5]){3|H<1>,7|C<3>}	121.1200	0.000	2	121.1200	0.000	2	121.1200	0.000	2	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	121.7220	0.000	1	121.7220	0.000	1	121.7220	0.000	1	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	P[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]P[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](P[5,6]C[6,6a]C[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]P[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,2|H<1>}	C[5,6a](P[5,6]C[6,6a]C[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	119.4080	0.000	1	119.4080	0.000	1	119.2947	0.013	3	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	P[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]P[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](P[5,6]C[6,6a]C[5,6]S)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]P[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H){1|S<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,2|H<1>}	C[5,6a](P[5,6]C[6,6a]C[5,6]S)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	119.2950	0.000	1	119.2950	0.000	1	119.2947	0.013	3	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	P[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]P[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](P[5,6]C[6,6a]C[5,6]Se)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]P[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H){1|Se<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,2|H<1>}	C[5,6a](P[5,6]C[6,6a]C[5,6]Se)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	119.1810	0.000	1	119.1810	0.000	1	119.2947	0.013	3	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:B[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	B[5,5a]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]B[5,5a]C[6a])(C[6a]C[6a]H)(B[5]O[5]O)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](B[5,5a]N[5a,6]O[5a]O[5])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]B[5,5a]C[6a])(C[6a]C[6a]H)(B[5]O[5]O){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,2|O<2>}	C[5,6a](B[5,5a]N[5a,6]O[5a]O[5])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	120.4690	0.000	1	120.4690	0.000	1	120.4690	0.000	1	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:B[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	B[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H)(B[5]O[5]O)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](B[5,6]N[5a,6]O[5]O[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H)(B[5]O[5]O){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,2|O<2>}	C[5,6a](B[5,6]N[5a,6]O[5]O[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	120.8030	0.081	2	120.8030	0.006	2	120.8030	0.006	2	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(C[5]N[5,6]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6]N[5,6]O[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(C[5]N[5,6]O){2|Cl<1>,1|C<3>,1|O<2>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[5,6a](C[5,6]N[5,6]O[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl){2|Cl<1>,1|C<3>,1|O<1>,2|C<4>}	121.4850	0.000	1	121.4850	0.000	1	120.9650	0.541	2	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6]C[6,6a]C[6]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(C[5]O[5]O){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6]C[6,6a]C[6]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,2|O<1>,4|C<3>}	120.4450	0.000	1	120.4450	0.000	1	120.9650	0.541	2	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,5]C[4]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[4,5]C[4,5]C[4]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	122.1510	0.000	1	122.1510	0.000	1	122.2525	0.021	2	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,6a]C[4]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[4,5]C[4,6a]C[4]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	122.3540	0.000	1	122.3540	0.000	1	122.2525	0.021	2	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]C){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,3|C<4>,4|H<1>}	120.8030	0.000	1	120.8030	0.000	1	121.0526	0.479	23	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]C){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	120.5890	0.000	1	120.1877	0.202	3	121.0526	0.479	23	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]C){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|S<4>,4|H<1>,5|C<3>}	119.9870	0.403	2	120.1877	0.202	3	121.0526	0.479	23	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]H){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,3|C<3>,4|H<1>}	119.9380	0.000	1	119.9380	0.000	1	121.0526	0.479	23	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	120.3070	0.000	1	120.3070	0.000	1	121.0526	0.479	23	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]O){3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|O<1>,3|C<3>,4|H<1>}	121.0660	0.000	1	121.0660	0.000	1	121.0526	0.479	23	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]O){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	121.1335	0.235	2	121.1335	0.055	2	121.0526	0.479	23	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]C){1|Pt<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Pt<4>,1|C<4>,2|H<1>,4|C<3>}	120.6930	0.000	1	120.6930	0.000	1	121.0526	0.479	23	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,5|H<1>}	121.4750	0.000	1	121.4750	0.000	1	121.0526	0.479	23	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	122.0990	0.000	1	122.0990	0.000	1	121.0526	0.479	23	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|S<4>,3|C<3>,4|H<1>}	122.0890	0.000	1	121.5427	0.226	4	121.0526	0.479	23	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|I<1>,1|O<1>,3|H<1>,4|C<3>}	121.4565	0.473	2	121.5427	0.226	4	121.0526	0.479	23	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,4|C<3>,4|H<1>}	121.1690	0.000	1	121.5427	0.226	4	121.0526	0.479	23	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]N[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C[5,6a](C[5,5]C[5,6a]N[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,1|S<4>,2|H<1>,4|C<3>}	119.8630	0.000	1	119.8630	0.000	1	121.0526	0.479	23	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	121.3893	0.334	3	121.3893	0.111	3	121.0526	0.479	23	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|I<1>,1|O<1>,2|H<1>,4|C<3>}	121.6320	0.000	1	121.6320	0.000	1	121.0526	0.479	23	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,4|C<3>,4|H<1>}	121.7420	0.000	1	121.5820	0.051	2	121.0526	0.479	23	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	121.4220	0.000	1	121.5820	0.051	2	121.0526	0.479	23	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]B[6]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]C){1|B<4>,1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]B[6]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<3>,4|H<1>,5|C<3>}	120.4660	0.008	2	120.4660	0.000	2	121.4974	0.730	131	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]C){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	119.7237	2.015	3	119.7237	4.060	3	121.4974	0.730	131	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5a,6]C[5,6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6]N[5a,6]C[5,6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	119.9890	0.330	2	119.9890	0.109	2	121.4974	0.730	131	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	121.3203	0.417	21	121.4412	0.241	69	121.4974	0.730	131	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,5|C<3>}	121.4311	0.519	26	121.4412	0.241	69	121.4974	0.730	131	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	121.3465	0.570	8	121.4412	0.241	69	121.4974	0.730	131	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	121.6954	0.451	14	121.4412	0.241	69	121.4974	0.730	131	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]C[6,6]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6]C[6,6a]C[6,6]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|N<2>,1|O<1>,2|H<1>,4|C<3>}	121.1980	0.000	1	121.1980	0.000	1	121.4974	0.730	131	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]C[6]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6]C[6,6a]C[6]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	121.8320	0.163	2	121.8320	0.026	2	121.4974	0.730	131	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	121.9438	0.797	40	121.9405	0.610	42	121.4974	0.730	131	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,6|C<3>}	121.5390	0.000	1	121.9405	0.610	42	121.4974	0.730	131	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,5|C<3>}	122.2080	0.000	1	121.9405	0.610	42	121.4974	0.730	131	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6]O[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6]C[6]O[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|Cl<1>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	122.1290	0.000	1	122.1290	0.000	1	121.4974	0.730	131	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	122.1600	0.000	1	122.1600	0.000	1	121.4974	0.730	131	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){2|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|O<1>,2|H<1>,5|C<3>}	123.9070	0.000	1	123.9070	0.000	1	121.4974	0.730	131	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]S[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]2S[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]S[5]N){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<2>}	C[5,6a](C[5,6]C[6,6a]2S[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	120.5073	0.027	3	120.5073	0.001	3	121.4974	0.730	131	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]S[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]2S[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]S[5]O){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|S<2>}	C[5,6a](C[5,6]C[6,6a]2S[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	120.2660	1.599	2	120.2660	2.558	2	121.4974	0.730	131	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]S[5]S)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]2S[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]S[5]S){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|S<1>,1|S<2>}	C[5,6a](C[5,6]C[6,6a]2S[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|S<1>,2|H<1>,5|C<3>}	119.3870	0.000	1	119.3870	0.000	1	121.4974	0.730	131	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]Se[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]2Se[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]Se[5]O){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5,6a](C[5,6]C[6,6a]2Se[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	120.6320	0.000	1	120.6320	0.000	1	121.4974	0.730	131	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5]C[5a]C[6a]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5]C[5a]C[6a]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,6|C<3>}	120.6520	0.000	1	120.6520	0.000	1	121.0905	0.385	2	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5]C[6a]N[5a]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5]C[6a]N[5a]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	121.5290	0.000	1	121.5290	0.000	1	121.0905	0.385	2	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	Se[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]Se[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](Se[5,5]C[5,6]N[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]Se[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Se<4>,1|C<3>,1|H<1>,1|N<4>,1|O<1>}	C[5,6a](Se[5,5]C[5,6]N[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,3|H<1>,5|C<3>}	120.8260	0.000	1	120.8260	0.000	1	119.4008	1.316	5	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	Se[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]Se[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](Se[5,5]C[5,6a]N[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]Se[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Se<4>,1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](Se[5,5]C[5,6a]N[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	119.0445	0.953	4	119.0445	0.909	4	119.4008	1.316	5	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,5,6]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,5,6]O){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	121.8595	0.049	2	121.8595	0.002	2	121.8595	0.002	2	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[5,6a]H)(N[5]C[5,6]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[5,6a]H)(N[5]C[5,6]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H){1|N<3>,2|C<3>,3|C<4>,5|H<1>}	122.4657	0.941	4	122.4657	0.886	4	122.4657	0.886	4	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:Br-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	118.9740	0.379	2	118.9740	0.144	2	118.9740	0.144	2	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5,5]C){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,2|C<3>,3|C<4>,3|H<1>}	119.0825	0.202	2	119.0825	0.041	2	119.6798	0.760	6	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5,5]C){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|O<2>,2|H<1>,4|C<3>}	120.0800	0.000	1	120.0800	0.000	1	119.6798	0.760	6	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5,5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5,5]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|Br<1>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	118.6090	0.000	1	118.6090	0.000	1	119.6798	0.760	6	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|Br<1>,1|H<1>,1|O<1>,3|C<3>,3|C<4>}	120.6125	0.037	2	120.6125	0.001	2	119.6798	0.760	6	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Br)(N[5]C[5,6]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Br)(N[5]C[5,6]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|Br<1>,1|O<2>,3|C<3>,3|H<1>}	119.1950	0.000	1	119.1950	0.000	1	119.1950	0.000	1	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5]C[5a]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5]C[5a]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	119.1270	0.000	1	119.1270	0.000	1	119.1270	0.000	1	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	119.3030	0.000	1	119.3030	0.000	1	119.3030	0.000	1	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]Cl)(N[5]C[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]Cl)(N[5]C[5,5]C){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,3|C<4>}	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|Cl<1>,3|C<4>,3|H<1>,4|C<3>}	117.7570	0.000	1	117.7570	0.000	1	117.7570	0.000	1	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,5|C<3>}	119.2230	0.000	1	119.2230	0.000	1	118.6885	0.571	2	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]O){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,2|O<1>,3|C<3>}	118.1540	0.000	1	118.1540	0.000	1	118.6885	0.571	2	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(N[5]C[5,6]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6]C[5,6]C[5a]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(N[5]C[5,6]H){1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(Cl){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[5a]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<3>,3|C<3>,5|H<1>}	120.9930	0.000	1	120.9930	0.000	1	119.9640	2.118	2	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<2>,1|C<4>,1|H<1>,1|O<1>,4|C<3>}	118.9350	0.000	1	118.9350	0.000	1	119.9640	2.118	2	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]F)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(F)	C[5,6a](C[3,5]C[3]C[5]N[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]F)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(F){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[3,5]C[3]C[5]N[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|F<1>,1|O<1>,1|S<3>,3|H<1>}	119.6880	0.000	1	119.6880	0.000	1	119.6880	0.000	1	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]F)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(F)	C[5,6a](C[5,6]C[5a,6]C[6,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]F)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(F){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5a,6]C[6,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	118.6930	0.000	1	118.6930	0.000	1	118.6930	0.000	1	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3,5,5]C[6a])(C[6a]C[6a]H)(N[5]C[3,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5,5]C[3,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5,5]C[6a])(C[6a]C[6a]H)(N[5]C[3,5]C){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[3,5,5]C[3,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,4|C<3>,5|H<1>}	121.0640	0.294	2	121.0640	0.087	2	121.0640	0.087	2	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[3,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5,6]C[3,5]C[3,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[3,5]C){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[3,5,6]C[3,5]C[3,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	121.1025	0.445	2	121.1025	0.198	2	121.1025	0.198	2	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[3,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5]C[3]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[3,5]C){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[3,5]C[3,5]C[3]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,3|C<3>,3|H<1>}	121.8920	0.000	1	121.8920	0.000	1	121.7414	0.272	21	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[3,5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5]N[3]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[3,5]S){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[3,5]C[3,5]N[3]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|S<4>,2|C<3>,3|H<1>}	121.0020	0.000	1	121.0020	0.000	1	121.7414	0.272	21	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[3,5]C[3,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	121.3320	0.000	1	121.8185	0.473	2	121.7414	0.272	21	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[3,5]C[3,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	122.3050	0.000	1	121.8185	0.473	2	121.7414	0.272	21	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,5|C<3>}	121.7610	0.000	1	122.1940	0.375	2	121.7414	0.272	21	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	122.6270	0.000	1	122.1940	0.375	2	121.7414	0.272	21	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,6]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[3,5]C[3,6]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	122.1940	0.000	1	122.1940	0.000	1	121.7414	0.272	21	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3]C[5]N[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[3,5]C[3]C[5]N[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	121.0275	0.555	2	121.0275	0.308	2	121.7414	0.272	21	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	121.2993	0.356	3	121.5400	0.125	6	121.7414	0.272	21	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|I<1>,2|C<3>,2|C<4>}	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|I<1>,1|O<1>,2|C<3>,2|H<1>}	121.7807	0.105	3	121.5400	0.125	6	121.7414	0.272	21	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	122.5510	0.000	1	122.4415	0.024	2	121.7414	0.272	21	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,3|C<3>,4|H<1>}	122.3320	0.000	1	122.4415	0.024	2	121.7414	0.272	21	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,5|H<1>}	122.1820	0.000	1	121.9525	0.105	2	121.7414	0.272	21	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,4|H<1>}	121.7230	0.000	1	121.9525	0.105	2	121.7414	0.272	21	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[3,5]C[3,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,4|H<1>}	121.6870	0.013	2	121.6870	0.000	2	121.7414	0.272	21	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[3x5]C[3x5]C[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[3x5]C[3x5]C[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,4|H<1>,5|C<3>}	121.4530	0.000	1	121.4530	0.000	1	121.2295	0.228	16	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	121.5175	0.554	2	121.3390	0.249	3	121.2295	0.228	16	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,7|H<1>}	120.9820	0.000	1	121.3390	0.249	3	121.2295	0.228	16	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]S){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|S<4>,2|C<3>,3|C<4>,5|H<1>}	121.1860	0.000	1	121.7527	0.258	3	121.2295	0.228	16	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]S){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|C<3>,3|C<4>,5|H<1>}	121.9060	0.000	1	121.7527	0.258	3	121.2295	0.228	16	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]S){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|C<4>,3|C<3>,5|H<1>}	122.1660	0.000	1	121.7527	0.258	3	121.2295	0.228	16	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,4|C<3>,5|H<1>}	120.8470	0.000	1	120.8470	0.000	1	121.2295	0.228	16	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|N<3>,7|H<1>}	121.2020	0.000	1	120.9345	0.099	6	121.2295	0.228	16	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|N<3>,3|C<3>,6|H<1>}	121.0390	0.000	1	120.9345	0.099	6	121.2295	0.228	16	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|C<4>,6|H<1>}	120.8415	0.355	4	120.9345	0.099	6	121.2295	0.228	16	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|O<2>,3|C<3>,5|H<1>}	121.6560	0.000	1	121.2450	0.338	2	121.2295	0.228	16	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,1|S<4>,4|C<3>,6|H<1>}	120.8340	0.000	1	121.2450	0.338	2	121.2295	0.228	16	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5,5]C[4,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[4,5,5]C[4,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,6|H<1>}	120.7090	0.000	1	121.0785	0.273	2	121.0785	0.273	2	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5,5]C[4,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[4,5,5]C[4,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){3|C<3>,3|C<4>,5|H<1>}	121.4480	0.000	1	121.0785	0.273	2	121.0785	0.273	2	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,5]C[4]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[4,5]C[4,5]C[4]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	121.3820	0.000	1	121.3820	0.000	1	121.2816	0.340	35	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,5]C[4]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[4,5]C[4,5]C[4]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	120.4100	0.000	1	120.4100	0.000	1	121.2816	0.340	35	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[3,4]C[4,5]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]H){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[4,5]C[3,4]C[4,5]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){3|C<3>,3|H<1>,4|C<4>}	120.5815	0.136	2	120.5930	0.010	3	121.2816	0.340	35	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[3,4]C[4,5]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[4,5]C[3,4]C[4,5]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){3|C<4>,3|H<1>,4|C<3>}	120.6160	0.000	1	120.5930	0.010	3	121.2816	0.340	35	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,5]C[6a]C[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]S){1|F<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[4,5]C[4,5]C[6a]C[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|S<4>,3|C<3>,4|H<1>}	121.4950	0.000	1	121.4950	0.000	1	121.2816	0.340	35	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[3,4]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[4,5]C[3,4]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	120.8370	0.000	1	120.8370	0.000	1	121.2816	0.340	35	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,5,6]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[4,5]C[4,5,6]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	121.1570	0.000	1	121.1350	0.001	2	121.2816	0.340	35	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,5,6]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[4,5]C[4,5,6]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	121.1130	0.000	1	121.1350	0.001	2	121.2816	0.340	35	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,3|H<1>}	121.1217	0.478	3	121.2328	0.208	12	121.2816	0.340	35	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|H<1>,3|C<3>}	121.3680	0.000	1	121.2328	0.208	12	121.2816	0.340	35	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	121.9050	0.000	1	121.2328	0.208	12	121.2816	0.340	35	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	121.0540	0.436	4	121.2328	0.208	12	121.2816	0.340	35	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	121.0865	0.548	2	121.2328	0.208	12	121.2816	0.340	35	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	121.7670	0.000	1	121.2328	0.208	12	121.2816	0.340	35	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,2|C<4>,4|C<3>}	122.2850	0.000	1	122.0790	0.102	3	121.2816	0.340	35	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	121.7120	0.000	1	122.0790	0.102	3	121.2816	0.340	35	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	122.2400	0.000	1	122.0790	0.102	3	121.2816	0.340	35	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[4,5]C[4]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	120.2030	0.000	1	120.6105	0.332	2	121.2816	0.340	35	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[4,5]C[4]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<1>,2|H<1>,3|C<3>}	121.0180	0.000	1	120.6105	0.332	2	121.2816	0.340	35	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,6]C[4]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[4,5]C[4,6]C[4]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	122.3710	0.307	2	122.3710	0.094	2	121.2816	0.340	35	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,4|C<3>,4|H<1>}	121.3075	0.347	6	121.3843	0.142	7	121.2816	0.340	35	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,4|C<3>,4|H<1>}	121.8450	0.000	1	121.3843	0.142	7	121.2816	0.340	35	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6,6]C[5,3x6]C[5,6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5,6,6]C[5,3x6]C[5,6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<4>,3|C<3>,3|C<4>,5|H<1>}	121.3160	0.000	1	121.3160	0.000	1	121.3160	0.000	1	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,5|H<1>}	120.2740	0.000	1	120.7890	0.204	3	121.2794	0.637	53	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,3|C<4>}	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,3|C<4>,4|C<3>,4|H<1>}	121.1200	0.000	1	120.7890	0.204	3	121.2794	0.637	53	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){3|C<4>,4|C<3>,5|H<1>}	120.9730	0.000	1	120.7890	0.204	3	121.2794	0.637	53	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5]C[5,6]O[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5,6]C[5,5]C[5,6]O[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	121.1020	0.000	1	121.1020	0.000	1	121.2794	0.637	53	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,7|H<1>}	121.1140	0.000	1	121.2593	0.042	3	121.2794	0.637	53	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,4|C<3>,6|H<1>}	121.1710	0.000	1	121.2593	0.042	3	121.2794	0.637	53	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	121.4930	0.000	1	121.2593	0.042	3	121.2794	0.637	53	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,5,6]C[5,5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	121.4870	0.000	1	121.4870	0.000	1	121.2794	0.637	53	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,4|C<4>,6|H<1>}	121.0380	0.543	2	120.8647	0.238	3	121.2794	0.637	53	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	120.5180	0.000	1	120.8647	0.238	3	121.2794	0.637	53	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,4|C<4>,6|H<1>}	120.3269	0.628	7	120.5042	0.590	8	121.2794	0.637	53	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	121.7460	0.000	1	120.5042	0.590	8	121.2794	0.637	53	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,5|H<1>}	120.9130	0.602	2	120.9130	0.363	2	121.2794	0.637	53	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,6]2N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5,6]C[5,6]2N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<2>,2|C<4>,3|H<1>,4|C<3>}	121.2780	0.000	1	121.2780	0.000	1	121.2794	0.637	53	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,4|C<4>,6|H<1>}	120.8660	0.000	1	120.8603	0.278	3	121.2794	0.637	53	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|C<3>,4|C<4>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,5|C<4>,5|H<1>}	120.8575	0.746	2	120.8603	0.278	3	121.2794	0.637	53	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	121.0670	0.000	1	121.0670	0.000	1	121.2794	0.637	53	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,7|H<1>}	120.7050	0.435	4	121.4696	0.599	17	121.2794	0.637	53	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	121.8390	0.000	1	121.4696	0.599	17	121.2794	0.637	53	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|S<2>,2|C<3>,2|C<4>,5|H<1>}	122.7380	0.000	1	121.4696	0.599	17	121.2794	0.637	53	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	121.6758	0.674	10	121.4696	0.599	17	121.2794	0.637	53	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	120.8280	0.000	1	121.4696	0.599	17	121.2794	0.637	53	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	121.8690	0.000	1	121.5757	0.661	3	121.2794	0.637	53	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	122.2010	0.000	1	121.5757	0.661	3	121.2794	0.637	53	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,7|H<1>}	120.6570	0.000	1	121.5757	0.661	3	121.2794	0.637	53	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|S<4>,2|C<3>,2|C<4>,6|H<1>}	122.7940	0.000	1	122.4175	0.284	2	121.2794	0.637	53	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|S<4>,2|C<3>,3|C<4>,5|H<1>}	122.0410	0.000	1	122.4175	0.284	2	121.2794	0.637	53	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,3|C<3>,5|H<1>}	121.4320	0.000	1	121.4320	0.000	1	121.2794	0.637	53	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|N<3>,1|O<1>,1|S<2>,2|C<4>,2|H<1>,3|C<3>}	122.1510	0.000	1	122.4297	0.064	4	121.2794	0.637	53	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	122.3040	0.000	1	122.4297	0.064	4	121.2794	0.637	53	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|C<3>,1|O<1>,4|C<4>,4|H<1>}	122.7260	0.000	1	122.4297	0.064	4	121.2794	0.637	53	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,2|C<3>,3|H<1>,4|C<4>}	122.5380	0.000	1	122.4297	0.064	4	121.2794	0.637	53	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[3x5]C[5,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	C[5,6a](C[5,5]C[3x5]C[5,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	120.6320	0.000	1	120.6320	0.000	1	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]S){1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,5]C[5,6a]C[3x5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|S<4>,2|H<1>,2|N<3>,3|C<3>}	120.6620	0.000	1	120.6620	0.000	1	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|Br<1>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	120.8260	0.000	1	120.8260	0.000	1	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|Br<1>,1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	120.9600	0.976	2	120.9600	0.952	2	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,4|C<4>,5|H<1>}	120.9652	0.276	9	121.0224	0.100	10	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|C<4>,5|H<1>}	121.5370	0.000	1	121.0224	0.100	10	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	120.9700	0.000	1	120.9415	0.002	2	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	120.9130	0.000	1	120.9415	0.002	2	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5,6]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5,6]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|N<3>,3|C<3>,4|H<1>}	121.4100	0.000	1	121.4100	0.000	1	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<2>,2|C<4>,4|C<3>,5|H<1>}	121.4460	0.000	1	121.0433	0.122	3	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|S<2>,6|H<1>}	120.8150	0.000	1	121.0433	0.122	3	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	120.8690	0.000	1	121.0433	0.122	3	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]Br)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]Br)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	120.7740	0.000	1	120.7740	0.000	1	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|Br<1>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	122.5380	0.000	1	122.5380	0.000	1	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	119.7340	0.000	1	120.7433	0.478	28	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	121.3830	0.557	2	120.7433	0.478	28	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	120.7648	0.167	5	120.7433	0.478	28	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	120.3580	0.000	1	120.7433	0.478	28	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	120.9180	0.000	1	120.7433	0.478	28	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<4>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<4>,1|O<2>,2|C<4>,4|H<1>}	120.6000	0.488	2	120.7433	0.478	28	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	123.0190	0.000	1	120.7433	0.478	28	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	121.4010	0.000	1	120.7433	0.478	28	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	120.9900	0.000	1	120.7433	0.478	28	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|H<1>,4|C<4>}	120.4000	0.000	1	120.7433	0.478	28	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	120.2533	0.511	3	120.7433	0.478	28	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	120.4325	0.199	4	120.7433	0.478	28	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|O<2>,3|C<3>,3|H<1>}	122.0960	0.000	1	120.7433	0.478	28	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	120.6980	0.000	1	120.7433	0.478	28	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	120.5015	0.095	2	120.7433	0.478	28	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	119.9150	0.000	1	120.7433	0.478	28	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]F)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|F<1>,1|N<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]F)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	121.0410	0.000	1	121.0410	0.000	1	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	121.0540	0.000	1	120.9609	0.244	12	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	120.6930	0.000	1	120.9609	0.244	12	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	121.6295	0.295	2	120.9609	0.244	12	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	121.1590	0.000	1	120.9609	0.244	12	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,4|H<1>}	120.2770	0.498	2	120.9609	0.244	12	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	120.9920	0.208	3	120.9609	0.244	12	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>,3|C<4>}	121.3090	0.000	1	120.9609	0.244	12	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	120.5270	0.000	1	120.9609	0.244	12	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	120.4892	0.462	4	120.4568	0.166	5	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){4|C<3>,5|H<1>}	120.3270	0.000	1	120.4568	0.166	5	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	120.0600	0.000	1	120.2839	0.265	7	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	120.5370	0.000	1	120.2839	0.265	7	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	119.3360	0.000	1	120.2839	0.265	7	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	120.4290	0.374	3	120.2839	0.265	7	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	120.7670	0.000	1	120.2839	0.265	7	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]Zr)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|Zr<12>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]Zr)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	122.0750	0.000	1	122.0750	0.000	1	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	121.6495	0.513	2	121.3517	0.398	3	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	120.7560	0.000	1	121.3517	0.398	3	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	119.4840	0.000	1	119.4840	0.000	1	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,3|C<4>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	119.9780	0.000	1	120.6032	0.149	5	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	120.9870	0.000	1	120.6032	0.149	5	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	120.6837	0.141	3	120.6032	0.149	5	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	120.8110	0.313	2	121.2800	0.162	6	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	121.5145	0.130	4	121.2800	0.162	6	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|I<1>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|I<1>,1|O<2>,2|C<4>,4|H<1>}	121.2390	0.000	1	121.0060	0.109	2	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	120.7730	0.000	1	121.0060	0.109	2	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5,6]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5,6]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	120.7970	0.000	1	120.7970	0.000	1	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,6|H<1>}	120.7410	0.000	1	120.7410	0.000	1	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	121.0543	0.696	3	121.3327	0.314	6	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	121.8010	0.000	1	121.3327	0.314	6	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,5|H<1>}	121.7200	0.000	1	121.3327	0.314	6	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,2|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	121.3120	0.000	1	121.3327	0.314	6	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|H<1>,4|C<3>}	120.7740	0.502	2	120.7740	0.252	2	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	121.4795	0.585	2	120.9168	0.371	5	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	120.5417	0.210	3	120.9168	0.371	5	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	120.8150	0.000	1	120.8150	0.000	1	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,5|H<1>}	120.5410	0.076	2	120.7132	0.067	4	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	121.0820	0.000	1	120.7132	0.067	4	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,4|C<3>,5|H<1>}	120.6890	0.000	1	120.7132	0.067	4	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<4>,3|H<1>,5|C<3>}	120.5820	0.000	1	120.9523	0.161	3	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	120.8960	0.000	1	120.9523	0.161	3	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){3|C<4>,3|H<1>,4|C<3>}	121.3790	0.000	1	120.9523	0.161	3	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]O[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,5]C[5,5]O[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	120.7580	0.000	1	120.7340	0.001	2	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]O[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]O[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	120.7100	0.000	1	120.7340	0.001	2	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	120.9210	0.733	2	120.5867	0.604	3	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,4|H<1>}	119.9180	0.000	1	120.5867	0.604	3	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,5]C[5,5]C[6a]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|N<3>,2|O<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[6a]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]O){4|H<1>,6|C<3>}	122.4640	0.602	2	122.4640	0.363	2	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,5]C[5,5]N[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|N<3>,2|C<3>,2|C<4>,2|O<2>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]N[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]O){1|C<4>,3|C<3>,4|H<1>}	122.4418	0.315	6	122.4418	0.099	6	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]N)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]N){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,5|H<1>}	123.7980	1.386	2	123.7980	1.921	2	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	123.4250	0.828	4	123.4250	0.685	4	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|Br<1>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,4|H<1>}	122.1610	0.516	3	122.1610	0.267	3	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	122.6980	0.000	1	122.6980	0.000	1	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]Br)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]Br)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|S<4>,5|H<1>}	122.0580	0.000	1	122.0580	0.000	1	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|C<3>,2|C<4>,3|H<1>}	122.3480	0.000	1	122.3480	0.000	1	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,1|S<4>,5|H<1>}	122.0337	0.243	9	122.0536	0.107	12	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	121.7920	0.267	2	122.0536	0.107	12	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	122.7560	0.000	1	122.0536	0.107	12	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]C){1|C<4>,1|N<3>,1|S<4>,2|C<3>,4|H<1>}	122.8010	0.000	1	122.4780	0.209	2	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]C){1|S<4>,2|C<3>,2|C<4>,4|H<1>}	122.1550	0.000	1	122.4780	0.209	2	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<4>,1|S<4>,2|C<3>,4|H<1>}	121.5900	0.000	1	121.5350	0.045	3	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,4|H<1>}	121.7150	0.000	1	121.5350	0.045	3	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|S<4>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<2>,1|S<4>,2|C<3>,3|C<4>}	121.3000	0.000	1	121.5350	0.045	3	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,1|S<4>,3|C<3>,4|H<1>}	121.5540	0.000	1	121.5540	0.000	1	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	122.0885	0.185	2	121.9732	0.073	4	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|S<4>,3|C<3>,3|H<1>}	121.8580	0.363	2	121.9732	0.073	4	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[3,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[3,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	121.4220	0.000	1	121.4220	0.000	1	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[3,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[3,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	121.9140	0.000	1	121.9140	0.000	1	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[3,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[3,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,5|C<4>}	122.3340	0.000	1	121.8400	0.488	2	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[3,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,5]C[3,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|H<1>,5|C<4>}	121.3460	0.000	1	121.8400	0.488	2	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	121.3540	0.000	1	121.3540	0.000	1	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	121.4400	0.000	1	122.0053	0.305	55	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	121.8134	0.354	7	122.0053	0.305	55	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	121.1820	0.000	1	122.0053	0.305	55	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,7|C<3>}	122.1270	0.000	1	122.0053	0.305	55	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|C<4>,3|H<1>}	122.3700	0.133	4	122.0053	0.305	55	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	121.8290	0.000	1	122.0053	0.305	55	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	122.0135	0.353	2	122.0053	0.305	55	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|H<1>,3|C<4>,4|C<3>}	121.4185	1.235	2	122.0053	0.305	55	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|O<1>,2|H<1>,3|C<4>,4|C<3>}	121.7070	0.180	2	122.0053	0.305	55	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	120.6270	0.000	1	122.0053	0.305	55	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,1|S<2>,2|H<1>,5|C<3>}	122.7190	0.000	1	122.0053	0.305	55	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	121.8350	0.000	1	122.0053	0.305	55	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	122.4420	0.000	1	122.0053	0.305	55	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|C<4>,4|H<1>}	122.4520	0.000	1	122.0053	0.305	55	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	122.2780	0.697	2	122.0053	0.305	55	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	122.3254	0.277	8	122.0053	0.305	55	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	122.1920	0.000	1	122.0053	0.305	55	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	122.2560	0.386	2	122.0053	0.305	55	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	121.1590	0.000	1	122.0053	0.305	55	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<4>,3|H<1>,4|C<3>}	122.0030	0.123	2	122.0053	0.305	55	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,1|S<2>,2|O<2>,5|C<3>}	122.3000	0.000	1	122.0053	0.305	55	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<1>,2|H<1>,5|C<3>}	120.0910	0.000	1	122.0053	0.305	55	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	122.0030	0.000	1	122.0053	0.305	55	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	121.8820	0.286	2	122.0053	0.305	55	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	122.4180	0.117	2	122.0053	0.305	55	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	121.7610	0.000	1	122.0053	0.305	55	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	122.1355	0.624	2	122.0053	0.305	55	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	121.9530	0.000	1	122.0053	0.305	55	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	122.4150	0.000	1	122.0053	0.305	55	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	122.7630	0.000	1	122.0053	0.305	55	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	123.0270	0.000	1	122.0447	0.340	30	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	121.9307	0.342	3	122.0447	0.340	30	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,1|S<2>,2|C<3>,4|C<4>}	122.2245	0.330	2	122.0447	0.340	30	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	121.6810	0.000	1	122.0447	0.340	30	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	122.2500	0.000	1	122.0447	0.340	30	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	122.0520	0.000	1	122.0447	0.340	30	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	122.3710	0.194	3	122.0447	0.340	30	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	121.9887	0.347	3	122.0447	0.340	30	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	121.9860	0.000	1	122.0447	0.340	30	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,2|H<1>,4|C<4>}	122.3050	0.240	3	122.0447	0.340	30	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,3|C<4>,3|H<1>}	121.6560	0.000	1	122.0447	0.340	30	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,5|C<4>}	122.2450	0.000	1	122.0447	0.340	30	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	122.6635	0.080	2	122.0447	0.340	30	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	119.7560	0.000	1	122.0447	0.340	30	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	122.0090	0.414	2	122.0447	0.340	30	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	121.6840	0.407	2	122.0447	0.340	30	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	122.3460	0.000	1	122.0447	0.340	30	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	121.3930	0.000	1	122.0447	0.340	30	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	121.5290	0.000	1	121.8646	0.098	13	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	121.7400	0.000	1	121.8646	0.098	13	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	122.2790	0.000	1	121.8646	0.098	13	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	121.8692	0.311	10	121.8646	0.098	13	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,3|C<3>,3|C<4>}	122.8200	0.000	1	122.6164	0.152	5	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	122.5685	0.730	2	122.6164	0.152	5	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	122.5625	0.148	2	122.6164	0.152	5	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,1|O<1>,5|C<3>}	121.6220	0.000	1	121.8680	0.121	2	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	122.1140	0.000	1	121.8680	0.121	2	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	121.4630	0.000	1	121.3690	0.018	2	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	121.2750	0.000	1	121.3690	0.018	2	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,5|H<1>}	122.5170	0.000	1	122.5170	0.000	1	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	121.2650	0.000	1	122.2830	0.996	5	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,5|H<1>}	123.2350	0.000	1	122.2830	0.996	5	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	122.5470	0.000	1	122.2830	0.996	5	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	123.1720	0.000	1	122.2830	0.996	5	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	121.1960	0.000	1	122.2830	0.996	5	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,5|C<4>}	122.5080	0.337	3	122.2674	0.098	7	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	122.0540	0.000	1	122.2674	0.098	7	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	122.0265	0.158	2	122.2674	0.098	7	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	122.2410	0.000	1	122.2674	0.098	7	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	121.2050	0.000	1	121.9907	0.330	4	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	122.3370	0.351	2	121.9907	0.330	4	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	122.0840	0.000	1	121.9907	0.330	4	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,5|C<4>}	122.3350	0.000	1	122.3350	0.000	1	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	121.9130	0.000	1	121.8348	0.594	5	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	121.1320	0.000	1	121.8348	0.594	5	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	122.6430	0.000	1	121.8348	0.594	5	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	122.5190	0.000	1	121.8348	0.594	5	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	120.9670	0.000	1	121.8348	0.594	5	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|H<1>,3|C<3>}	121.3940	0.000	1	121.5520	0.050	2	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	121.7100	0.000	1	121.5520	0.050	2	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	122.3380	0.000	1	122.3380	0.000	1	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	122.2107	0.617	3	121.5540	0.682	6	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>,3|C<4>}	120.7020	0.000	1	121.5540	0.682	6	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|H<1>,3|C<3>}	120.9350	0.000	1	121.5540	0.682	6	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	121.0550	0.000	1	121.5540	0.682	6	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5]N[5]S[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<3>,1|O<1>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5]N[5]S[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	121.5620	0.000	1	121.6790	0.027	2	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5]N[5]S[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<3>,1|O<1>,1|S<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5]N[5]S[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,2|O<1>,3|C<3>}	121.7960	0.000	1	121.6790	0.027	2	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	122.4370	0.000	1	122.0333	0.175	10	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	121.9490	0.733	2	122.0333	0.175	10	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	122.0990	0.500	4	122.0333	0.175	10	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,5|C<4>}	121.8030	0.000	1	122.0333	0.175	10	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>,3|C<4>}	121.9310	0.000	1	122.0333	0.175	10	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	121.8680	0.000	1	122.0333	0.175	10	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]N[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	121.7800	0.000	1	121.7800	0.000	1	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]N[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	121.3710	0.000	1	120.9790	0.307	2	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]N[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	120.5870	0.000	1	120.9790	0.307	2	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[3,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[3,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	121.9880	0.000	1	121.9880	0.000	1	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[3,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[3,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	122.2070	0.000	1	122.2070	0.000	1	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<2>,3|C<3>,3|H<1>}	122.5130	0.000	1	122.0111	0.113	24	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	121.3780	0.362	2	122.0111	0.113	24	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	122.0846	0.263	14	122.0111	0.113	24	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	121.8720	0.206	5	122.0111	0.113	24	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<2>,3|H<1>,5|C<3>}	122.0330	0.000	1	122.0111	0.113	24	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,3|H<1>,4|C<3>}	122.4190	0.000	1	122.0111	0.113	24	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	121.7450	0.000	1	122.1570	0.141	40	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,3|C<4>,3|H<1>}	122.1635	0.406	21	122.1570	0.141	40	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	122.3240	0.000	1	122.1570	0.141	40	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	122.1570	0.000	1	122.1570	0.141	40	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	122.1130	0.000	1	122.1570	0.141	40	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	122.1616	0.390	14	122.1570	0.141	40	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,1|S<2>,2|C<3>,2|H<1>,3|C<4>}	122.2470	0.000	1	122.1570	0.141	40	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	122.1430	0.000	1	122.1430	0.000	1	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,3|C<4>,3|H<1>}	121.9980	0.000	2	122.5049	0.228	9	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	122.7696	0.474	5	122.5049	0.228	9	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	122.3500	0.105	2	122.5049	0.228	9	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[5,5]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	122.8530	0.000	1	122.4980	0.252	2	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[5,5]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	122.1430	0.000	1	122.4980	0.252	2	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	123.1430	0.000	2	122.5759	0.647	15	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<1>,2|C<4>,6|H<1>}	123.2190	0.000	1	122.5759	0.647	15	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,6|H<1>}	123.0650	0.781	4	122.5759	0.647	15	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,6|H<1>}	122.3580	0.000	1	122.5759	0.647	15	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	122.5640	0.430	4	122.5759	0.647	15	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	121.4197	0.551	3	122.5759	0.647	15	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|O<1>,2|C<3>,2|H<1>,4|C<4>}	122.3540	0.000	1	122.1800	0.194	32	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	121.8470	0.000	1	122.1800	0.194	32	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	122.0340	0.372	2	122.1800	0.194	32	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	122.3985	0.355	18	122.1800	0.194	32	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	122.2450	0.192	2	122.1800	0.194	32	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>,4|C<4>}	121.8972	0.453	4	122.1800	0.194	32	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,5|C<4>}	121.6050	0.421	2	122.1800	0.194	32	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	121.5145	0.004	2	122.1800	0.194	32	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[5,6]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	121.7490	0.018	2	121.9531	0.184	10	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[5,6]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	122.0660	0.472	7	121.9531	0.184	10	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	121.5710	0.000	1	121.9531	0.184	10	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	122.0835	0.036	2	122.0835	0.001	2	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,4|C<3>,4|H<1>}	122.2007	0.213	3	122.3808	0.160	4	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|S<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|S<1>,3|H<1>,5|C<3>}	122.9210	0.000	1	122.3808	0.160	4	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	122.0720	0.000	1	122.0720	0.000	1	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5]N[5]S[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,1|O<1>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,5]C[5]N[5]S[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|O<1>,2|H<1>,3|C<3>}	121.6470	0.000	1	121.5513	0.105	3	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5]N[5]S[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,1|O<1>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[5]N[5]S[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,4|H<1>}	121.5035	0.442	2	121.5513	0.105	3	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	122.8175	0.202	2	122.2904	0.326	27	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	121.3405	0.531	2	122.2904	0.326	27	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|H<1>,4|C<4>}	122.6165	0.040	2	122.2904	0.326	27	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	121.5640	0.892	2	122.2904	0.326	27	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	122.4244	0.360	12	122.2904	0.326	27	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	122.9255	0.170	2	122.2904	0.326	27	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	122.0190	0.000	1	122.2904	0.326	27	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	122.5335	0.059	2	122.2904	0.326	27	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	121.5900	0.000	1	122.2904	0.326	27	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	121.5450	0.000	1	122.2904	0.326	27	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,5]N[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	122.6270	0.000	1	121.9128	0.459	4	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]N[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	121.6747	0.590	3	121.9128	0.459	4	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,6|H<1>}	123.0820	0.000	1	123.0820	0.000	1	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5a]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S){3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|S<4>,2|C<4>}	C[5,6a](C[5,5]C[5,5a]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|S<4>,3|H<1>,4|C<3>}	121.2820	0.000	2	121.2820	0.000	2	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|S<4>,2|C<4>,7|H<1>}	122.1060	0.000	1	122.1060	0.000	1	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]N[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]2N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]N[5]C){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6a]2N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	121.4910	0.000	1	121.4910	0.000	1	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]N[5]P)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]2N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]N[5]P){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|P<4>}	C[5,6a](C[5,5]C[5,6a]2N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|P<4>,2|H<1>,5|C<3>}	122.3920	0.000	1	122.3920	0.000	1	121.8152	0.619	505	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]C){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	120.4780	0.000	1	120.4780	0.000	1	121.7267	0.576	9	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	121.5150	0.000	1	121.5150	0.000	1	121.7267	0.576	9	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6]C[3x6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6,6]C[3x6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	121.6040	0.000	1	121.5033	0.247	4	121.7267	0.576	9	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6]C[3x6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6,6]C[3x6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	121.0750	0.000	1	121.5033	0.247	4	121.7267	0.576	9	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6]C[3x6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6,6]C[3x6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<2>,2|C<3>,3|C<4>,3|H<1>}	122.1640	0.000	1	121.5033	0.247	4	121.7267	0.576	9	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6]C[3x6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6,6]C[3x6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	121.1700	0.000	1	121.5033	0.247	4	121.7267	0.576	9	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6]C[3x6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6,6]C[3x6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	122.3480	0.000	1	122.3480	0.000	1	121.7267	0.576	9	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6]C[3x6]S[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6,6]C[3x6]S[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	122.2980	0.000	1	122.2980	0.000	1	121.7267	0.576	9	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6]C[5,5,6,6]C[5,6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6,6]C[5,5,6,6]C[5,6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|O<2>,3|C<3>,3|H<1>}	122.8880	0.000	1	122.8880	0.000	1	121.7267	0.576	9	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[6,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	122.5990	0.000	1	122.5990	0.000	1	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[6,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	120.0040	0.000	1	120.4420	0.144	3	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[6,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	120.6610	0.000	2	120.4420	0.144	3	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|Br<1>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br){1|N<3>,4|C<3>,4|H<1>}	123.3620	0.000	1	123.3620	0.000	1	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]C){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	121.9110	0.000	1	122.0445	0.036	2	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]C){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	122.1780	0.000	1	122.0445	0.036	2	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<2>,2|C<3>,4|H<1>}	121.2750	0.000	1	121.0326	0.052	8	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	121.1420	0.096	2	121.0326	0.052	8	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|C<3>,3|C<4>,4|H<1>}	120.7830	0.000	1	121.0326	0.052	8	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,3|C<4>,4|H<1>}	120.9450	0.000	1	121.0326	0.052	8	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	121.3410	0.000	1	121.0326	0.052	8	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	120.7300	0.000	1	121.0326	0.052	8	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	120.9030	0.000	1	121.0326	0.052	8	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]Cr)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|Cr<9>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]Cr)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	121.3587	0.457	3	120.9342	0.859	4	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]Cr)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|Cr<9>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]Cr)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	119.6610	0.000	1	120.9342	0.859	4	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]C){2|C<4>,3|C<3>,4|H<1>}	121.0020	0.000	1	121.0020	0.000	1	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	116.8380	0.000	1	120.3070	5.486	4	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,4|H<1>}	121.6620	0.000	1	120.3070	5.486	4	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	121.7840	0.000	1	120.3070	5.486	4	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	120.9440	0.000	1	120.3070	5.486	4	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	121.2890	0.000	1	121.2890	0.000	1	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]N[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6]C[5,6]N[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	120.3750	0.000	1	120.3750	0.000	1	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]O[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6]C[5,6]O[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	120.0927	2.302	4	120.3662	4.348	5	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]O[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]O[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	121.4600	0.000	1	120.3662	4.348	5	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5a,6]C[5,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,3|C<4>}	C[5,6a](C[5,6]C[5a,6]C[5,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	121.1790	0.000	1	121.1790	0.000	1	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	121.4220	0.000	1	121.4220	0.000	1	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|Br<1>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br){1|N<3>,3|C<3>,5|H<1>}	121.9530	0.000	1	121.9530	0.000	1	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,5|H<1>}	120.5520	0.000	1	120.5520	0.000	1	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,6|H<1>}	120.7990	0.000	2	120.7990	0.000	2	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]Ru)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|Ru<11>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]Ru)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	121.9810	0.000	1	121.9810	0.000	1	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]P)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]P){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|P<4>,2|C<3>,4|H<1>}	121.5020	0.107	2	121.5020	0.012	2	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<4>,2|C<4>,4|H<1>}	122.4950	0.000	1	122.4950	0.000	1	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]Cl)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]Cl)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,1|S<4>,5|H<1>}	121.0770	0.803	2	121.0770	0.645	2	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,5|H<1>}	122.1447	1.792	4	121.8165	2.186	6	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|S<4>,4|C<3>,4|H<1>}	121.1600	0.078	2	121.8165	2.186	6	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|S<4>,3|C<4>,4|H<1>}	121.3940	0.000	1	121.2644	0.058	5	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|S<4>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,1|S<4>,2|C<4>,3|H<1>}	121.3610	0.000	1	121.2644	0.058	5	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|S<4>,2|C<4>,4|H<1>}	121.2220	0.000	1	121.2644	0.058	5	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	121.1725	0.432	2	121.2644	0.058	5	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|S<4>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|S<4>,2|C<4>,4|H<1>}	121.7330	0.000	1	121.7330	0.000	1	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	121.7320	0.000	1	121.7320	0.000	1	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	122.5020	0.000	1	122.5020	0.000	1	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	120.5250	0.270	2	120.5250	0.073	2	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]C){2|C<4>,3|H<1>,5|C<3>}	121.3050	0.000	1	121.3050	0.000	1	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	123.0130	0.000	1	123.0130	0.000	1	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<2>,3|H<1>,4|C<3>}	121.3120	0.000	1	121.3120	0.000	1	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|N<3>,1|O<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	122.3910	0.000	1	122.3910	0.000	1	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[3x6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[3x6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	122.5510	0.000	1	122.5510	0.000	1	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	121.5450	0.000	1	121.8144	0.256	18	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	121.2760	0.000	1	121.8144	0.256	18	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	121.6667	0.903	3	121.8144	0.256	18	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	122.1645	0.050	2	121.8144	0.256	18	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<1>,2|C<2>,2|C<3>,2|H<1>,2|N<3>}	121.8520	0.000	1	121.8144	0.256	18	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	121.9290	0.000	1	121.8144	0.256	18	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	122.0245	0.146	2	121.8144	0.256	18	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	122.3800	0.107	2	121.8144	0.256	18	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<4>,3|H<1>,4|C<3>}	122.2510	0.000	1	121.8144	0.256	18	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>,4|C<4>}	121.7060	0.000	1	121.8144	0.256	18	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<4>,5|C<3>}	121.6940	0.000	1	121.8144	0.256	18	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	121.3780	0.000	1	121.8144	0.256	18	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|H<1>,2|C<4>,2|O<1>,4|C<3>}	120.8900	0.000	1	121.8144	0.256	18	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[5]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[5]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	122.7460	0.000	1	121.6940	2.213	2	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[5]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[5]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	120.6420	0.000	1	121.6940	2.213	2	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[5]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[5]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	122.3620	0.000	1	122.3620	0.000	1	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	122.0555	0.114	2	122.0555	0.013	2	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,3|C<3>,3|C<4>}	122.2870	0.038	2	122.0372	0.137	6	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,3|C<3>,3|C<4>}	121.9050	0.260	2	122.0372	0.137	6	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	122.3830	0.000	1	122.0372	0.137	6	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,2|N<3>,3|C<3>}	121.4560	0.000	1	122.0372	0.137	6	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]F)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|N<3>,1|O<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]F){1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	121.0130	0.000	1	121.0130	0.000	1	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	121.7125	0.743	2	121.7401	0.731	15	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<1>,3|H<1>,4|C<3>}	120.0770	0.000	1	121.7401	0.731	15	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|N<2>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	121.4800	0.000	1	121.7401	0.731	15	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|H<1>,1|O<1>,1|O<2>,3|C<3>,3|C<4>}	120.1360	0.000	1	121.7401	0.731	15	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|N<2>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	121.9800	0.000	1	121.7401	0.731	15	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	122.7880	0.000	1	121.7401	0.731	15	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	122.3073	0.193	3	121.7401	0.731	15	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	121.9630	0.085	2	121.7401	0.731	15	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	122.9210	0.000	1	121.7401	0.731	15	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	121.0720	0.000	1	121.7401	0.731	15	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<4>,5|C<3>}	121.3750	0.000	1	121.7401	0.731	15	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	121.7170	0.000	1	121.7170	0.000	1	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<1>,3|C<3>,3|H<1>}	122.1410	0.000	1	121.6843	0.278	17	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,3|C<3>,3|C<4>}	122.3020	0.000	1	121.6843	0.278	17	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	121.5420	0.000	1	121.6843	0.278	17	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|O<1>,3|C<4>,3|H<1>}	122.0520	0.000	1	121.6843	0.278	17	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	121.1850	0.000	1	121.6843	0.278	17	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	121.3925	0.685	2	121.6843	0.278	17	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	122.3300	0.000	1	121.6843	0.278	17	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	121.4750	0.000	1	121.6843	0.278	17	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	122.0072	0.258	4	121.6843	0.278	17	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	121.8860	0.000	1	121.6843	0.278	17	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	120.8865	0.354	2	121.6843	0.278	17	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|N<2>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|N<2>,3|C<3>,4|H<1>}	121.1330	0.000	1	121.6843	0.278	17	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5]N[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5]N[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	121.9650	0.000	1	121.9650	0.000	1	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5a,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5a,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	122.2040	0.000	1	122.2040	0.000	1	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	121.7210	0.704	2	121.8516	0.279	9	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	122.2502	0.365	4	121.8516	0.279	9	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	121.4940	0.000	1	121.8516	0.279	9	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<2>,1|C<4>,1|H<1>,1|O<1>,4|C<3>}	121.5440	0.000	1	121.8516	0.279	9	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,5|C<3>}	121.1830	0.000	1	121.8516	0.279	9	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5a,6]C[5]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5a,6]C[5]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	121.9570	0.000	1	121.9570	0.000	1	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5a,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5a,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	123.2225	0.153	2	123.2225	0.024	2	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5a,6]C[6,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5a,6]C[6,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,5|C<3>}	121.8860	0.000	1	121.6800	0.214	6	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5a,6]C[6,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5a,6]C[6,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	121.3980	0.540	3	121.6800	0.214	6	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5a,6]C[6,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5a,6]C[6,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	122.0000	0.016	2	121.6800	0.214	6	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,3|C<3>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	121.2620	0.122	2	121.0205	2.909	17	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,4|H<1>,5|C<3>}	120.0980	0.000	1	121.0205	2.909	17	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	120.9970	0.000	1	121.0205	2.909	17	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>,4|C<4>}	121.9220	0.000	1	121.0205	2.909	17	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<2>,1|O<1>,2|C<3>,2|H<1>,4|C<4>}	114.7280	0.000	1	121.0205	2.909	17	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	121.4730	0.000	1	121.0205	2.909	17	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<2>,2|C<4>,2|H<1>,3|C<3>}	122.2820	0.000	2	121.0205	2.909	17	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,2|O<1>,4|C<3>}	121.4000	0.000	1	121.0205	2.909	17	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	121.3847	0.383	6	121.0205	2.909	17	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	121.3340	0.000	1	121.0205	2.909	17	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6]C[5]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[6,6]C[5]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	121.2990	0.000	1	121.2990	0.000	1	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	122.4070	0.000	1	121.8478	0.181	12	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	121.9625	0.304	4	121.8478	0.181	12	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,4|C<3>,6|H<1>}	121.3310	0.024	2	121.8478	0.181	12	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	122.1030	0.000	1	121.8478	0.181	12	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	121.0960	0.000	1	121.8478	0.181	12	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	122.0060	0.313	2	121.8478	0.181	12	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	122.0430	0.000	1	121.8478	0.181	12	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[6,6a]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,1|S<2>,2|C<4>,2|H<1>,3|C<3>}	121.2500	0.000	1	121.6886	0.374	5	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[6,6a]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|O<1>,1|S<2>,2|C<4>,2|H<1>,3|C<3>}	121.8390	0.361	2	121.6886	0.374	5	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[6,6a]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<4>,3|C<3>,3|H<1>}	122.5060	0.000	1	121.6886	0.374	5	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	C[5,6a](C[5,6]C[6,6a]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|H<1>,3|C<3>,3|C<4>}	121.0090	0.000	1	121.6886	0.374	5	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]N[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<1>,2|H<1>,5|C<3>}	121.1615	0.361	2	121.6832	0.353	5	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]N[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	121.5370	0.000	1	121.6832	0.353	5	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]N[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	122.2780	0.085	2	121.6832	0.353	5	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5a,6]C[5]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]N[5a,6]C[5]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	120.7320	0.000	1	120.7320	0.000	1	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5a,6]C[5]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]N[5a,6]C[5]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	121.3380	0.000	1	121.3380	0.000	1	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,1|S<4>,3|C<3>,3|H<1>}	121.9190	0.000	1	121.9190	0.000	1	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,4|C<3>,4|H<1>}	121.9110	0.000	1	121.5480	0.264	2	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|S<2>,3|H<1>,4|C<3>}	121.1850	0.000	1	121.5480	0.264	2	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	122.8538	0.342	6	122.8538	0.117	6	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	122.2365	0.185	2	122.2197	0.018	3	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,5|H<1>}	122.1860	0.000	1	122.2197	0.018	3	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5]C[6]S[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|S<2>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6]C[5]C[6]S[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	123.9360	0.963	2	123.9360	0.928	2	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5]N[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6]C[5]N[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	122.1280	0.000	1	122.1280	0.000	1	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	121.4400	0.834	2	122.3864	2.002	8	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	122.1940	0.000	1	122.3864	2.002	8	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|F<1>,1|O<1>,2|H<1>,4|C<3>}	121.6550	0.000	1	122.3864	2.002	8	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|I<1>,2|C<3>}	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|I<1>,1|O<1>,2|H<1>,4|C<3>}	125.6380	0.000	1	122.3864	2.002	8	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,3|H<1>,4|C<3>}	122.2413	0.398	3	122.3864	2.002	8	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5a,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6]C[5a,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	121.8004	0.522	5	121.7607	0.227	6	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5a,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6]C[5a,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|H<1>,5|C<3>}	121.5620	0.000	1	121.7607	0.227	6	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<2>,3|C<3>,3|H<1>}	122.4530	0.000	1	122.1830	0.093	5	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,1|S<4>,3|C<3>,3|H<1>}	122.4610	0.000	1	122.1830	0.093	5	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,3|H<1>,4|C<3>}	121.9330	0.305	2	122.1830	0.093	5	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	122.1350	0.000	1	122.1830	0.093	5	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6]C[6,6a]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|O<1>,2|H<1>,5|C<3>}	121.9950	0.000	1	121.3485	0.267	4	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6]C[6,6a]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|H<1>,5|C<3>}	121.3275	0.131	2	121.3485	0.267	4	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[6,6a]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	120.7440	0.000	1	121.3485	0.267	4	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|Br<1>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br){1|C<2>,1|O<1>,3|H<1>,4|C<3>}	122.3460	0.000	1	122.3460	0.000	1	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<1>,3|H<1>,4|C<3>}	121.8120	0.000	1	122.1805	0.135	4	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	122.4970	0.017	2	122.1805	0.135	4	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,3|H<1>,4|C<3>}	121.9160	0.000	1	122.1805	0.135	4	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6]C[6,6a]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<1>,1|S<2>,3|C<3>,3|H<1>}	121.8690	0.000	1	121.8690	0.000	1	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5a,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6]N[5a,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	121.7280	0.444	2	121.7280	0.197	2	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,5,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6]C[5,5,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,4|H<1>}	123.9670	0.000	1	123.9670	0.000	1	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]N[5,6]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]N[5,6]C){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6]N[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	122.4060	0.000	1	122.4060	0.000	1	121.6837	1.012	237	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5]C[5a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5]C[5a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|S<2>,3|H<1>,4|C<3>}	122.2700	0.000	1	122.3756	0.103	5	122.4431	0.207	11	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5]C[5a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	C[5,6a](C[5]C[5a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<4>,2|H<1>,4|C<3>}	122.6240	0.423	2	122.3756	0.103	5	122.4431	0.207	11	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5]C[5a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5]C[5a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	122.1800	0.153	2	122.3756	0.103	5	122.4431	0.207	11	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5]C[5a]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5]C[5a]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	122.2660	0.943	2	122.2660	0.890	2	122.4431	0.207	11	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5]C[6a]N[5a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5]C[6a]N[5a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|H<1>,4|C<3>}	122.6030	0.000	1	122.6030	0.000	1	122.4431	0.207	11	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5]C[5a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[5,6a](C[5]C[5a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|O<1>,1|S<2>,3|H<1>,4|C<3>}	122.9570	0.000	1	122.4825	0.450	2	122.4431	0.207	11	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5]C[5a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5]C[5a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,4|C<3>,4|H<1>}	122.0080	0.000	1	122.4825	0.450	2	122.4431	0.207	11	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5]N[5a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5]N[5a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,3|H<1>,4|C<3>}	122.8960	0.000	1	122.8960	0.000	1	122.4431	0.207	11	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	P[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](P[5,5]C[5,5]O[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[5,6a](P[5,5]C[5,5]O[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|P<4>,2|C<3>,3|H<1>}	119.5900	0.088	2	119.5900	0.008	2	119.5900	0.008	2	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	Si[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]Si[5,6]C[6a])(C[6a]C[6a]H)(N[5]N[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](Si[5,6]N[5]N[6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]Si[5,6]C[6a])(C[6a]C[6a]H)(N[5]N[5]H){2|C<3>,2|H<1>,2|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|N<3>,2|H<1>}	C[5,6a](Si[5,6]N[5]N[6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){3|H<1>,6|C<3>}	121.9790	0.000	1	121.9790	0.000	1	121.9790	0.000	1	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:I-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]I)(N[5]C[5,5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(I)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]I)(N[5]C[5,5]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(I){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|I<1>,1|N<3>,5|H<1>}	119.1820	0.000	1	119.1820	0.000	1	119.1820	0.000	1	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:I-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]I)(N[5]C[5,6]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(I)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]I)(N[5]C[5,6]C){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(I){2|C<3>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|I<1>,2|C<3>,3|C<4>,3|H<1>}	120.0530	0.000	1	120.0530	0.000	1	120.0530	0.000	1	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a,6a]-3:C[5,6a]-3:F-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a,6a]F)(N[5]C[4,5]S)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(F)	C[5,6a](C[4,5]C[4,5]C[4]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a,6a]F)(N[5]C[4,5]S){1|F<1>,1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(F){1|H<1>,1|S<4>,2|C<4>,3|C<3>}	C[5,6a](C[4,5]C[4,5]C[4]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H){1|C<4>,1|S<4>,2|C<3>,2|F<1>,2|H<1>}	119.7750	0.000	1	119.7750	0.000	1	119.7750	0.000	1	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	122.4780	0.539	2	122.4780	0.290	2	122.3540	0.189	4	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]N[5,5]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]2N[5,5])(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]N[5,5]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]C[5,6a]2N[5,5])(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	122.5590	0.000	1	122.5590	0.000	1	122.3540	0.189	4	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]N[5,5]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]N[5,5]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	121.9010	0.000	1	121.9010	0.000	1	122.3540	0.189	4	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6]C[3x6]C[5,5]C[6,6])(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6,6]C[3x6]C[5,5]C[6,6])(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,3|C<3>,6|H<1>}	124.7230	0.000	1	124.7230	0.000	1	124.7230	0.000	1	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,5]C[5,5,6]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,5,6]C[6]F)(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,5]C[5,5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|F<1>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,5,6]C[6]F)(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	122.2450	0.000	1	122.2450	0.000	1	122.3500	0.083	4	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,5]C[5,5,6]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,5,6]C[6]O)(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,5]C[5,5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,5,6]C[6]O)(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	122.3850	0.343	3	122.3850	0.117	3	122.3500	0.083	4	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5,6]C[6a])(N[5,6]C[4,5,6,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5,6]C[4,5,6,6]C[4]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5,6]C[6a])(N[5,6]C[4,5,6,6]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[4,5,6]C[4,5,6,6]C[4]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	121.3600	0.000	1	121.3600	0.000	1	121.3600	0.000	1	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5,6]C[4,5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,5,6]C[4]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5,6]C[4,5,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[4,5]C[4,5,6]C[4]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	121.6500	0.000	1	121.6500	0.000	1	121.4340	0.093	2	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5,6]C[4,5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,5,6]N[4]C)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5,6]C[4,5,6]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[4,5]C[4,5,6]N[4]C)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	121.2180	0.000	1	121.2180	0.000	1	121.4340	0.093	2	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,5,6,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5,6,6]C[5,6a]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,5,6,6]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,5,6]C[5,5,6,6]C[5,6a]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	121.0040	0.000	1	121.0040	0.000	1	121.8562	0.610	66	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<4>,2|C<3>,3|C<4>,6|H<1>}	121.4235	0.370	13	121.3424	0.203	16	121.8562	0.610	66	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H){1|C<3>,4|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,4|C<4>,6|H<1>}	120.5890	0.000	1	121.3424	0.203	16	121.8562	0.610	66	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H){1|C<3>,4|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<4>,4|C<4>,6|H<1>}	120.6020	0.000	1	121.3424	0.203	16	121.8562	0.610	66	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	121.7820	0.000	1	121.3424	0.203	16	121.8562	0.610	66	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,6|H<1>}	122.2530	0.000	1	122.2530	0.000	1	121.8562	0.610	66	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]O)(H)	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	122.2248	0.416	10	122.0369	0.637	48	121.8562	0.610	66	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]O)(H)	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<4>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	121.9875	0.869	38	122.0369	0.637	48	121.8562	0.610	66	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,6]C[5,5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5,6]C[5]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,6]C[5,5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5,6]C[5]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,5|H<1>}	122.0050	0.000	1	122.0050	0.000	1	122.0080	0.030	4	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,6]C[5,5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5,6]C[5]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,6]C[5,5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5,6]C[5]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,5|H<1>}	121.8050	0.000	1	121.8050	0.000	1	122.0080	0.030	4	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,6]C[5,5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5,6]N[5]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,6]C[5,5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5,6]N[5]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	122.1110	0.167	2	122.1110	0.028	2	122.0080	0.030	4	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5,6]C[5,3x6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6]C[5,3x6]C[6,6a]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5,6]C[5,3x6]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6,6]C[5,3x6]C[6,6a]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	119.7260	0.000	1	119.7260	0.000	1	119.7260	0.000	1	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6,6]C[6]C)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6,6]C[6]C)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	121.7130	0.000	1	121.7130	0.000	1	121.8982	0.172	6	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6,6]C[6]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6]C[5,6,6]C[6]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	121.6360	0.000	1	121.6360	0.000	1	121.8982	0.172	6	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]O[5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]O[5,6]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]O[5,6]C[6])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6]C[5,6]O[5,6]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<3>,2|H<1>,4|C<4>}	122.3770	0.000	1	122.0100	0.236	4	121.8982	0.172	6	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]O[5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]O[5,6]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]O[5,6]C[6])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6]C[5,6]O[5,6]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	121.6380	0.393	2	122.0100	0.236	4	121.8982	0.172	6	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]O[5,6]C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]O[5,6]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]O[5,6]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6]C[5,6]O[5,6]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	122.3870	0.000	1	122.0100	0.236	4	121.8982	0.172	6	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:Br-1:	C[3x5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3x5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]Br)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(Br)	C[5,6a](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3x5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]Br){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,3|C<4>}	C[5,6a](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|Br<1>,1|C<3>,1|N<3>,1|O<2>,3|H<1>,4|C<4>}	118.3720	0.000	1	118.3720	0.000	1	118.3720	0.000	1	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3,5,5,6]C[6a])(N[5]C[3,5,6]S)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5,5,6]C[3,5,6]C[3,5]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5,5,6]C[6a])(N[5]C[3,5,6]S)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[3,5,5,6]C[3,5,6]C[3,5]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|S<4>,3|C<3>,4|H<1>}	121.2730	0.000	1	121.2730	0.000	1	121.2730	0.000	1	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(N[5]C[3,5,5]S)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(N[5]C[3,5,5]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	121.6360	0.057	3	121.6360	0.003	3	121.4292	0.173	4	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(N[5]C[3,5,6]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5,6]C[3,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(N[5]C[3,5,6]C)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[3,5]C[3,5,6]C[3,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	120.8090	0.000	1	120.8090	0.000	1	121.4292	0.173	4	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3x5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3x5,6,6]C[6a])(N[5]C[5,5,3x6]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[3x5,6,6]C[5,5,3x6]C[5,3x6]C[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3x5,6,6]C[6a])(N[5]C[5,5,3x6]C)(C[6a]C[6a]H){1|C<3>,2|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[3x5,6,6]C[5,5,3x6]C[5,3x6]C[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|C<4>,4|H<1>}	119.6880	0.000	1	119.6880	0.000	1	119.6880	0.000	1	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3x5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3x5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3x5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|C<4>,5|H<1>}	120.2150	0.318	2	120.1833	0.054	3	120.7857	0.262	11	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3x5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3x5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3x5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	120.1200	0.000	1	120.1833	0.054	3	120.7857	0.262	11	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3x5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3x5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	C[5,6a](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3x5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|C<4>,5|H<1>}	121.0116	0.381	8	121.0116	0.145	8	120.7857	0.262	11	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5,5]C[6a])(N[5]C[4,5,5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5,5]C[4,5,5]C[4]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5,5]C[6a])(N[5]C[4,5,5]C)(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[4,5,5]C[4,5,5]C[4]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,2|C<4>,3|C<3>,5|H<1>}	120.1110	0.000	1	120.1110	0.000	1	120.1110	0.000	1	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5,6]C[6a])(N[5]C[4,5,6]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5,6]C[4,5,6]C[4,5]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5,6]C[6a])(N[5]C[4,5,6]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>,3|O<2>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[4,5,6]C[4,5,6]C[4,5]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	120.7790	0.000	1	120.7790	0.000	1	120.7790	0.000	1	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5]C[4,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5]C[4,5]C[6a])(C[6a]C[6a]H){2|C<6>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<6>,2|C<3>,3|H<1>,4|B<6>}	120.5780	0.445	2	120.5780	0.198	2	119.8824	0.570	5	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5]C[4,5]Si)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[5x3,4,5x5,20x6]C[4,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5]C[4,5]Si)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|C<6>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[4,5]C[5x3,4,5x5,20x6]C[4,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|C<6>,3|H<1>,4|B<6>}	119.9070	0.000	1	119.9070	0.000	1	119.8824	0.570	5	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5]C[4,5]Si)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5]C[4,5]Si)(C[6a]C[6a]H){1|C<3>,2|C<6>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,3|C<4>}	C[5,6a](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|C<4>,1|C<6>,2|H<1>,4|B<6>}	118.9410	0.000	1	119.1745	0.109	2	119.8824	0.570	5	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5]C[4,5]Si)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5]C[4,5]Si)(C[6a]C[6a]H){2|C<3>,2|C<6>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Si<4>,1|C<6>,2|C<3>,2|H<1>,4|B<6>}	119.4080	0.000	1	119.1745	0.109	2	119.8824	0.570	5	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,3x6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,3x6]C[6a])(N[5]C[5,6,6]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,3x6]C[5,6,6]C[6,6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,3x6]C[6a])(N[5]C[5,6,6]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,3x6]C[5,6,6]C[6,6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	121.2520	0.000	1	121.2520	0.000	1	121.2520	0.000	1	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(N[5]C[5,3x6]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6,6]C[5,3x6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(N[5]C[5,3x6]C)(C[6a]C[6a]H){1|C<3>,2|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5,6,6]C[5,3x6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,4|C<4>,5|H<1>}	121.3560	0.000	1	121.3560	0.000	1	120.7426	0.460	5	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(N[5]C[5,3x6]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6,6]C[5,3x6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(N[5]C[5,3x6]H)(C[6a]C[6a]H){1|C<3>,2|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5,6,6]C[5,3x6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,4|C<4>,6|H<1>}	120.3190	0.000	1	120.3190	0.000	1	120.7426	0.460	5	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(N[5]C[5,3x6]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6,6]C[5,5,6,6]C[5,3x6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(N[5]C[5,3x6]H)(C[6a]C[6a]H){1|C<3>,2|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5,6,6]C[5,5,6,6]C[5,3x6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,4|C<4>,6|H<1>}	120.7420	0.000	1	120.7420	0.000	1	120.7426	0.460	5	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(N[5]C[5,5,6,6]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(N[5]C[5,5,6,6]C)(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,7|C<3>}	119.8520	0.000	1	119.8520	0.000	1	120.7426	0.460	5	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(N[5]C[5,5,6]S)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(N[5]C[5,5,6]S)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|C<3>,2|C<4>,2|N<3>,4|H<1>}	121.4440	0.000	1	121.4440	0.000	1	120.7426	0.460	5	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[3x5,6]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[3x5,6]C[5,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[3x5,6]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5,6]C[3x5,6]C[5,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	121.0140	0.000	1	121.0140	0.000	1	120.9310	0.250	28	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[3x5,6]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[3x5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[3x5,6]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5,6]C[3x5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	120.8260	0.000	1	120.8260	0.000	1	120.9310	0.250	28	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6,6]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5,6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6,6]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5,6]C[5,5,6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	121.5120	0.000	1	121.5120	0.000	1	120.9310	0.250	28	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){2|C<3>,3|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|H<1>,4|C<4>}	120.7680	0.000	1	120.7680	0.000	1	120.9310	0.250	28	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	120.7112	0.298	4	120.8164	0.122	5	120.9310	0.250	28	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	121.2370	0.000	1	120.8164	0.122	5	120.9310	0.250	28	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[3,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[3,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|O<2>,3|C<4>,4|H<1>}	120.3790	0.000	1	120.3790	0.000	1	120.9310	0.250	28	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,4|C<4>,6|H<1>}	120.8220	0.000	1	120.7987	0.143	6	120.9310	0.250	28	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	121.2020	0.000	1	120.7987	0.143	6	120.9310	0.250	28	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,4|C<4>,4|H<1>}	120.8850	0.000	1	120.7987	0.143	6	120.9310	0.250	28	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	120.3630	0.000	1	120.7987	0.143	6	120.9310	0.250	28	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	120.7600	0.594	2	120.7987	0.143	6	120.9310	0.250	28	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	121.4480	0.000	2	121.4480	0.000	2	120.9310	0.250	28	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	121.5670	0.000	1	121.5670	0.000	1	120.9310	0.250	28	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	120.4780	0.000	1	120.8350	0.176	5	120.9310	0.250	28	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	121.3140	0.000	1	120.8350	0.176	5	120.9310	0.250	28	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,7|H<1>}	120.7943	0.413	3	120.8350	0.176	5	120.9310	0.250	28	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	120.3980	0.187	2	120.3980	0.035	2	120.9310	0.250	28	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]S)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|S<4>,3|C<4>,4|H<1>}	122.4720	0.000	1	122.4720	0.000	1	120.9310	0.250	28	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]S)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]S)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|S<4>,2|C<4>,3|C<3>,4|H<1>}	120.7890	0.000	1	120.7890	0.000	1	120.9310	0.250	28	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]B[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]B[5,5]C[5]Si)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]B[5,5]C[6a])(C[6a]C[6a]H){1|Si<4>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,5]B[5,5]C[5]Si)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|B<3>,1|C<4>,2|H<1>,3|C<3>}	122.3490	0.000	1	122.3490	0.000	1	121.4147	0.943	6	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5,6]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5,6]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	120.2990	0.000	1	120.2990	0.000	1	121.4147	0.943	6	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5,6]O[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5,6]O[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	120.6820	0.000	1	120.6820	0.000	1	121.4147	0.943	6	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5,6]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5,6]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	121.1690	0.000	1	121.1690	0.000	1	121.4147	0.943	6	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	121.9945	1.152	2	121.9945	1.327	2	121.4147	0.943	6	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6]C[5,6,6]C[3x6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6]C)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6,6]C[5,6,6]C[3x6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	119.7170	0.000	1	119.7170	0.000	1	120.5504	0.533	5	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6]C)(C[6a]C[6a]H){1|C<3>,2|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,3|C<4>}	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<3>,5|C<4>,5|H<1>}	120.1940	0.000	1	120.1940	0.000	1	120.5504	0.533	5	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|C<3>,4|C<4>}	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,5|C<4>,5|H<1>}	121.3520	0.000	1	121.3520	0.000	1	120.5504	0.533	5	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6]C[5,6,6]C[3x6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6]H)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6,6]C[5,6,6]C[3x6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	120.2010	0.000	1	120.2010	0.000	1	120.5504	0.533	5	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6]S)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6]C[5,6,6]C[3x6]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6]S)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6,6]C[5,6,6]C[3x6]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|S<4>,3|C<4>,4|H<1>}	121.2880	0.000	1	121.2880	0.000	1	120.5504	0.533	5	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	120.4970	0.000	1	120.4970	0.000	1	121.6155	2.502	2	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5]C[5,5,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5]C[5,5,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6]C[5,5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|N<3>,3|H<1>}	122.7340	0.000	1	122.7340	0.000	1	121.6155	2.502	2	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[3x5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[3x5]C[6a])(N[5]In[3x5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](N[3x5]C[5,6a]2In[3x5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[3x5]C[6a])(N[5]In[3x5]C)(C[6a]C[6a]H){1|Ni<4>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|In<5>,1|C<3>,1|C<4>,1|H<1>,1|N<4>}	C[5,6a](N[3x5]C[5,6a]2In[3x5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Ni<4>,1|C<4>,2|H<1>,2|N<3>,5|C<3>}	116.5670	0.000	1	116.5670	0.000	1	116.5670	0.000	1	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	N[5,5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](N[5,5,6]C[3x5,6,6]C[5,6])(C[5,6a]C[3,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]N[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5,6]C[3x5,6,6]C[3,6]C[3])(C[5,6a]N[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](N[5,5,6]C[3x5,6,6]C[5,6])(C[5,6a]C[3,5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[6a](C[5,6a]N[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[3,5,6]C[3x5,6,6]C[3,6]C[3])(C[5,6a]N[5,5,6]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	123.0090	0.000	1	123.0090	0.000	1	123.0090	0.000	1	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](N[5,5]C[5,6a]C[3x5])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]O)(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](N[5,5]C[5,6a]C[3x5])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,2|N<3>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6a]C[3x5]O)(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,2|N<3>,4|C<3>}	121.5220	0.000	1	121.5220	0.000	1	121.5220	0.000	1	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	N[5,6,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](N[5,6,6]C[5,5,3x6]C[6,6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]N[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5,3x6]C[5]O)(C[5,6a]N[5,6,6]C[6a])(C[6a]C[6a]H)	C[5,6a](N[5,6,6]C[5,5,3x6]C[6,6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,2|O<1>,3|C<4>}	C[6a](C[5,6a]N[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5,3x6]C[5]O)(C[5,6a]N[5,6,6]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	121.5560	0.000	1	121.5560	0.000	1	121.5560	0.000	1	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5,6,6]C[5]Cl)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5,6,6]C[5]Cl)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	121.3240	0.000	1	121.3240	0.000	1	121.9287	0.248	18	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5,6,6]C[5]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5,6,6]C[5]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	122.1202	0.572	5	121.9150	0.248	9	121.9287	0.248	18	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5,6,6]C[5]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5,6,6]C[5]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	121.8620	0.000	2	121.9150	0.248	9	121.9287	0.248	18	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5,6,6]C[5]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5,6,6]C[5]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	121.3180	0.000	1	121.9150	0.248	9	121.9287	0.248	18	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5,6,6]C[5]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5,6,6]C[5]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	121.5920	0.000	1	121.9150	0.248	9	121.9287	0.248	18	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5,6,6]C[5]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5,6,6]C[5]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	122.1100	0.474	7	122.0198	0.258	8	121.9287	0.248	18	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5,6,6]C[5]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5,6,6]C[5]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	121.3880	0.000	1	122.0198	0.258	8	121.9287	0.248	18	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](N[5,6]C[5,6,6]C[6,6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6,6]C[6,6a]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](N[5,6]C[5,6,6]C[6,6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){4|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6,6]C[6,6a]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	120.3670	0.000	1	120.3670	0.000	1	120.3670	0.000	1	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<2>,1|N<3>,2|H<1>,5|C<3>}	122.2510	0.000	1	122.2510	0.000	1	122.2510	0.000	1	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	O[4,4,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	P[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](O[4,4,5]In[3x4,5,5]In[3x4,5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]O[4,4,5]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](P[5]In[3x4,5,5]C[6a]2)(C[5,6a]O[4,4,5]C[6a])(C[6a]C[6a]H)	C[5,6a](O[4,4,5]In[3x4,5,5]In[3x4,5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){3|Cl<1>,2|H<1>,2|O<3>,2|P<4>,3|C<3>}	C[6a](C[5,6a]O[4,4,5]C[5,6a])(C[6a]C[6a]H)(H){2|In<6>,1|C<3>,1|H<1>,1|P<4>}	C[5,6a](P[5]In[3x4,5,5]C[6a]2)(C[5,6a]O[4,4,5]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|In<6>,1|P<4>,2|H<1>,2|O<3>,5|C<3>}	118.9310	0.000	1	118.9310	0.000	1	118.9310	0.000	1	121.2551	1.303	1903	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	5:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	P[5,5,6]-5:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]P[5,5,6]C[6a])(C[5]C[5,5]Cl)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](P[5,5,6]C[6,6a]2C[5,5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]P[5,5,6]C[6a])(C[5]C[5,5]Cl)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|P<5>,2|C<3>}	C[5,6a](P[5,5,6]C[6,6a]2C[5,5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,2|H<1>,7|C<3>}	120.8120	0.000	1	120.8120	0.000	1	120.8120	0.000	1	121.4898	0.362	13	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	5:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	P[5,5]-5:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]P[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](P[5,5]C[5,5]C[6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]P[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<5>,3|C<3>}	C[5,6a](P[5,5]C[5,5]C[6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,8|C<3>}	121.9545	1.493	2	121.9545	2.228	2	121.7230	1.275	3	121.4898	0.362	13	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	5:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	P[5,5]-5:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]P[5,5]C[6a])(C[5]C[5,5]Cl)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](P[5,5]C[5,5]C[6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]P[5,5]C[6a])(C[5]C[5,5]Cl)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|P<5>,2|C<3>}	C[5,6a](P[5,5]C[5,5]C[6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,2|H<1>,7|C<3>}	121.2600	0.000	1	121.2600	0.000	1	121.7230	1.275	3	121.4898	0.362	13	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	5:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	P[4,5]-5:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]P[4,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](P[4,5]C[6a]C[4]N[5]O[4])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]P[4,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|P<5>}	C[5,6a](P[4,5]C[6a]C[4]N[5]O[4])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	122.2780	0.000	1	121.6720	0.275	3	121.6720	0.275	3	121.4898	0.362	13	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	5:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	P[4,5]-5:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]P[4,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](P[4,5]C[6a]C[4]N[5]O[4])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]P[4,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|P<5>}	C[5,6a](P[4,5]C[6a]C[4]N[5]O[4])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	121.3690	0.000	2	121.6720	0.275	3	121.6720	0.275	3	121.4898	0.362	13	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	5:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	P[5,5]-5:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](P[5,5]C[5,6a]C[6a]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,1|P<5>}	C[5,6a](P[5,5]C[5,6a]C[6a]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	121.3952	0.304	6	121.3952	0.092	6	121.3952	0.092	6	121.4898	0.362	13	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	6:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	B[5x3,5x5,17x6]-6:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]B[5x3,5x5,17x6]C[6a])(C[5]C[3x3,4,4x5,14x6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](B[5x3,5x5,17x6]B[4x3,4,5x5,21x6]C[3x3,4,4x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]B[5x3,5x5,17x6]C[6a])(C[5]C[3x3,4,4x5,14x6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,5|B<6>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<6>,1|C<3>,1|C<5>,1|H<1>,1|O<1>}	C[5,6a](B[5x3,5x5,17x6]B[4x3,4,5x5,21x6]C[3x3,4,4x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<5>,1|O<1>,4|B<6>,6|H<1>}	119.2720	0.000	1	119.2720	0.000	1	119.2720	0.000	1	122.0335	1.261	21	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	6:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	B[5x3,6x5,20x6]-6:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]B[5x3,6x5,20x6]C[6a])(C[5]C[5x3,6x5,20x6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](B[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]B[5x3,6x5,20x6]C[6a])(C[5]C[5x3,6x5,20x6]O)(C[6a]C[6a]H){1|C<3>,1|C<6>,2|H<1>,5|B<6>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<6>,1|C<3>,1|C<6>,1|H<1>,1|O<1>}	C[5,6a](B[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<6>,1|O<1>,4|B<6>,6|H<1>}	121.6810	0.654	5	121.6810	0.428	5	121.6810	0.428	5	122.0335	1.261	21	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	6:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	Nb[5,5]-6:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a]Nb[5,5])(C[6a]C[6a]H)(C[5]N[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a](Nb[5,5]C[5,6a]N[5]2ClN)(C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[5,6a]Nb[5,5])(C[6a]C[6a]H)(C[5]N[5]C){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(H){1|Nb<6>,1|C<3>,1|C<4>,1|N<3>,1|O<2>}	C[5,6a](Nb[5,5]C[5,6a]N[5]2ClN)(C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5]){1|H<1>,1|O<2>,4|C<3>,4|C<4>}	122.8235	1.805	2	123.0608	0.910	6	122.7505	1.079	8	122.0335	1.261	21	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	6:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	Nb[5,5]-6:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a]Nb[5,5])(C[6a]C[6a]H)(C[5]N[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a](Nb[5,5]C[5,6a]N[5]2ClN)(C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[5,6a]Nb[5,5])(C[6a]C[6a]H)(C[5]N[5]C){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(H){1|Nb<6>,1|C<3>,1|C<4>,1|N<3>,1|O<2>}	C[5,6a](Nb[5,5]C[5,6a]N[5]2ClN)(C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5]){1|H<1>,1|O<2>,2|C<4>,6|C<3>}	123.1795	0.612	4	123.0608	0.910	6	122.7505	1.079	8	122.0335	1.261	21	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	6:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	Nb[5,5]-6:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a]Nb[5,5])(C[6a]C[6a]H)(C[5]N[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a](Nb[5,5]C[5,6a]N[5]2NO)(C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[5,6a]Nb[5,5])(C[6a]C[6a]H)(C[5]N[5]C){1|H<1>,1|N<2>,1|N<3>,2|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(H){1|Nb<6>,1|C<3>,1|C<4>,1|N<3>,1|O<2>}	C[5,6a](Nb[5,5]C[5,6a]N[5]2NO)(C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5]){1|H<1>,1|O<2>,2|C<4>,6|C<3>}	121.8195	0.829	2	121.8195	0.688	2	122.7505	1.079	8	122.0335	1.261	21	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	6:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	P[3x5]-6:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]P[3x5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](P[3x5]C[5,6a]2O[5]3)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]P[3x5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){2|H<1>,2|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,1|P<6>}	C[5,6a](P[3x5]C[5,6a]2O[5]3)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,7|C<3>}	122.1267	0.290	6	122.1267	0.084	6	122.1267	0.084	6	122.0335	1.261	21	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	6:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5x3,6x5,20x6]-6:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5x3,6x5,20x6]C[6a])(N[5]C[5x3,6x5,20x6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5x3,6x5,20x6]C[6a])(N[5]C[5x3,6x5,20x6]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>,6|B<6>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<6>}	C[5,6a](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,5|B<6>,6|H<1>}	120.2630	0.000	1	120.2630	0.000	1	120.2630	0.000	1	122.0335	1.261	21	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	7:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	Nb[3,5,5]-7:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]Nb[3,5,5]C[5,6a])(C[6a]C[6a]H)(C[5]N[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a](Nb[3,5,5]C[5,6a]C[3]H[3]N[5]2N)(C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]Nb[3,5,5]C[5,6a])(C[6a]C[6a]H)(C[5]N[5]C){1|C<4>,1|H<1>,1|H<2>,1|N<2>,1|N<3>,1|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(H){1|Nb<7>,1|C<3>,1|C<4>,1|N<3>,1|O<2>}	C[5,6a](Nb[3,5,5]C[5,6a]C[3]H[3]N[5]2N)(C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5]){1|Si<4>,1|O<2>,2|C<4>,2|H<1>,6|C<3>}	122.4555	0.255	2	122.4555	0.065	2	122.4555	0.065	2	122.4555	0.065	2	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:2:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5a]-3:N[6a]-2:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5a]N[6a])(N[5]C[5]Pt)	C[6a](C[5,6a]C[5,6a]N[5])(C[5a]C[5a]O[5a])(N[6a]C[6a])	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5a]N[6a])(N[5]C[5]Pt){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[5a]C[5a]O[5a])(N[6a]C[6a]){1|Pt<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Pt<6>,1|C<3>,1|N<2>,2|H<1>}	118.4060	0.000	1	118.4060	0.000	1	118.4060	0.000	1	119.4953	0.958	3	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:2:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:N[6a]-2:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]N[6a])(N[5]C[5]Ir)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]2)(N[6a]C[6a])	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]N[6a])(N[5]C[5]Ir){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]2)(N[6a]C[6a]){1|Cl<1>,1|Ir<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Cl<1>,1|Ir<6>,1|C<3>,1|H<1>,1|N<2>}	120.0400	0.368	2	120.0400	0.135	2	120.0400	0.135	2	119.4953	0.958	3	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:2:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,2|O<2>,3|C<3>}	118.2940	0.000	2	118.3713	0.016	4	118.3713	0.016	4	119.3242	0.752	28	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:2:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,2|O<2>,3|C<3>}	118.5570	0.000	1	118.3713	0.016	4	118.3713	0.016	4	119.3242	0.752	28	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:2:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,2|C<3>,3|O<2>}	118.3400	0.000	1	118.3713	0.016	4	118.3713	0.016	4	119.3242	0.752	28	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]O){2|Cl<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(OH){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(O[5]C[5,6]){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	121.5930	0.296	2	121.5930	0.087	2	119.5883	0.624	22	119.3242	0.752	28	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]O){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(O[5]C[5,6]){1|C<4>,1|O<1>,2|C<3>,2|O<2>}	119.3488	0.447	19	119.3488	0.200	19	119.5883	0.624	22	119.3242	0.752	28	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]O){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	120.1280	0.000	1	120.1280	0.000	1	119.5883	0.624	22	119.3242	0.752	28	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[6])(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[6])(OH){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	118.3450	0.000	1	118.3450	0.000	1	118.3450	0.000	1	119.3242	0.752	28	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:2:	C[5,6a]-3:C[6a]-3:P[5]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(P[5]C[5]C)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(P[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(O[5]C[5]){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	118.3060	0.000	1	118.3060	0.000	1	118.3060	0.000	1	119.3242	0.752	28	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){2|H<1>,2|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	117.8780	0.000	1	117.8780	0.000	1	118.5850	1.000	2	119.8443	3.818	93	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){2|H<1>,2|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	119.2920	0.000	1	119.2920	0.000	1	118.5850	1.000	2	119.8443	3.818	93	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5a]-3:N[6a]-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[5a]N[6a])	C[6a](C[5,6a]C[5,6a]2)(C[5a]C[5a]O[5a])(N[6a]N[6a])	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[5a]N[6a])	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[5a]N[6a]){1|C<4>,1|N<2>,1|O<2>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[5a]C[5a]O[5a])(N[6a]N[6a]){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[5a]N[6a]){1|C<4>,1|N<2>,1|O<2>,5|C<3>}	116.8500	0.359	2	116.8500	0.129	2	117.0173	0.149	3	119.8443	3.818	93	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5a]-3:N[6a]-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[5a]N[6a])	C[6a](C[5,6a]C[5,6a]2)(C[5a]C[5a]S[5a])(N[6a]N[6a])	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[5a]N[6a])	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[5a]N[6a]){1|H<1>,1|N<2>,1|S<2>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[5a]C[5a]S[5a])(N[6a]N[6a]){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[5a]N[6a]){1|H<1>,1|N<2>,1|S<2>,5|C<3>}	117.3520	0.000	1	117.3520	0.000	1	117.0173	0.149	3	119.8443	3.818	93	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CN)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|C<2>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CN){1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|C<2>,1|N<3>,3|C<3>}	117.4905	0.025	2	117.4905	0.001	2	117.4905	0.001	2	119.8443	3.818	93	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[6a]-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(N[6a]N[6a])	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a]){1|C<4>,1|N<2>,6|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(N[6a]N[6a]){1|H<1>,1|O<2>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a]){1|C<4>,1|N<2>,6|C<3>}	117.2070	0.000	1	117.9786	1.955	11	117.8583	1.260	17	119.8443	3.818	93	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[6a]-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(N[6a]N[6a])	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a]){1|C<4>,1|N<2>,6|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(N[6a]N[6a]){2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a]){1|C<4>,1|N<2>,6|C<3>}	117.0790	0.000	1	117.9786	1.955	11	117.8583	1.260	17	119.8443	3.818	93	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[6a]-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(N[6a]N[6a])	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,1|N<2>,6|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(N[6a]N[6a]){1|H<1>,1|O<2>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,1|N<2>,6|C<3>}	118.1775	1.596	8	117.9786	1.955	11	117.8583	1.260	17	119.8443	3.818	93	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[6a]-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(N[6a]N[6a])	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,1|N<2>,6|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(N[6a]N[6a]){2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,1|N<2>,6|C<3>}	118.0590	0.000	1	117.9786	1.955	11	117.8583	1.260	17	119.8443	3.818	93	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[6a]-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N[6a])(N[6a]N[6a])	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,2|N<2>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N[6a])(N[6a]N[6a]){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,2|N<2>,5|C<3>}	117.6718	0.213	4	117.6718	0.045	4	117.8583	1.260	17	119.8443	3.818	93	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[6a]-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]2)(N[6a]N[6a])	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,3|N<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]2)(N[6a]N[6a]){6|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,3|N<2>,4|C<3>}	117.5695	0.139	2	117.5695	0.019	2	117.8583	1.260	17	119.8443	3.818	93	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(OC)	C[5,6a](C[5,6a]C[5,6a,6a]N[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]O){1|H<1>,1|N<2>,2|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(OC){1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]N[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|O<2>,4|C<3>}	117.0510	0.000	1	117.0510	0.000	1	117.0510	0.000	1	119.8443	3.818	93	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[5a]-3:N[6a]-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[5a]N[6a])	C[6a](C[5,6a]C[5,6a]2)(N[5a]C[5a]N[5a])(N[6a]N[6a])	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[5a]N[6a])	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[5a]N[6a]){1|H<1>,1|N<3>,2|N<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(N[5a]C[5a]N[5a])(N[6a]N[6a]){1|C<4>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[5a]N[6a]){1|H<1>,1|N<3>,2|N<2>,4|C<3>}	116.7565	1.667	2	116.7565	2.778	2	116.7565	2.778	2	119.8443	3.818	93	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:O-2:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5,6a]C[5,6a]2)(OC)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]O){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5,6a]C[5,6a]2)(OC){7|C<3>}	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]){1|H<1>,1|O<2>,7|C<3>}	121.9670	0.000	1	121.9670	0.000	1	121.9670	0.000	1	119.8443	3.818	93	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6a]){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(N[6a]C[6a]){1|O<2>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|N<2>,4|C<3>}	118.2280	0.000	1	118.2280	0.000	1	118.2280	0.000	1	119.8443	3.818	93	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]O){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC){1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,2|O<2>,4|C<3>}	119.3757	0.380	6	119.3757	0.144	6	120.4169	1.421	13	119.8443	3.818	93	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(OC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]F)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]O){2|F<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(OC){1|F<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]F){1|O<1>,1|O<2>,2|F<1>,3|C<3>}	122.3760	0.000	1	122.3760	0.000	1	120.4169	1.421	13	119.8443	3.818	93	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	121.3220	0.000	1	120.5907	0.411	3	120.4169	1.421	13	119.8443	3.818	93	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	120.2250	0.137	2	120.5907	0.411	3	120.4169	1.421	13	119.8443	3.818	93	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	121.6727	0.417	3	121.6727	0.174	3	120.4169	1.421	13	119.8443	3.818	93	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]O){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC){1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|O<2>,3|C<3>}	119.2770	0.000	1	119.2770	0.000	1	119.2770	0.000	1	119.8443	3.818	93	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]N[5,6]C[6a])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OS)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]N[5,6]C[6a])(C[6a]C[6a]O){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OS){1|C<4>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	117.5450	0.000	1	117.5450	0.000	1	118.9253	1.561	3	119.8443	3.818	93	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]N[5,6]H)(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]N[5,6]H)(C[6a]C[6a]O){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	119.6155	0.514	2	119.6155	0.264	2	118.9253	1.561	3	119.8443	3.818	93	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])2(CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(C[5]N[5]O){1|C<2>,1|C<4>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])2(CC){2|N<3>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(C[5]N[5]O){1|C<2>,1|C<4>,1|O<1>,2|C<3>}	123.1790	0.454	4	123.1790	0.206	4	123.1790	0.206	4	119.8443	3.818	93	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a]N[6a])(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[5a]C[5a]O[5a])(N[6a]N[6a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a]N[6a])(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a]N[6a])(C[5]N[5]O){1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5a]C[5a]O[5a])(N[6a]N[6a]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a]N[6a])(C[5]N[5]O){1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|C<3>}	119.2595	0.146	4	119.2595	0.021	4	119.3675	0.096	6	119.8443	3.818	93	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a]N[6a])(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[5a]C[5a]S[5a])(N[6a]N[6a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a]N[6a])(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a]N[6a])(C[5]N[5]O){1|C<4>,1|N<2>,1|O<1>,1|S<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5a]C[5a]S[5a])(N[6a]N[6a]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a]N[6a])(C[5]N[5]O){1|C<4>,1|N<2>,1|O<1>,1|S<2>,2|C<3>}	119.5835	0.525	2	119.5835	0.276	2	119.3675	0.096	6	119.8443	3.818	93	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]O){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H){1|C<2>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	120.5670	0.000	1	120.5670	0.000	1	120.5950	0.002	2	119.8443	3.818	93	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(N[5]C[5]H){1|C<2>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	120.6230	0.000	1	120.6230	0.000	1	120.5950	0.002	2	119.8443	3.818	93	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N[6a])(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(N[6a]C[6a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a]C[6a])(N[5]C[5]Ni)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N[6a])(C[5]C[5]O){1|Ni<4>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a]C[6a])(N[5]C[5]Ni){1|N<2>,1|N<3>,1|O<1>,4|C<3>}	120.3050	0.000	1	120.3050	0.000	1	120.1900	0.026	2	119.8443	3.818	93	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N[6a])(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(N[6a]C[6a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C[5])(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N[6a])(C[5]C[5]O){1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C[5])(N[5]C[5]H){1|O<1>,2|N<2>,4|C<3>}	120.0750	0.000	1	120.0750	0.000	1	120.1900	0.026	2	119.8443	3.818	93	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]C){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<2>,2|C<3>,2|H<1>}	120.5040	0.000	1	120.5040	0.000	1	121.1990	0.778	12	119.8443	3.818	93	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]N){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|N<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]N){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	120.8950	0.484	2	120.8950	0.234	2	121.1990	0.778	12	119.8443	3.818	93	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC[6a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]N){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC[6a]){1|H<1>,2|C<3>,2|N<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]N){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	120.7583	0.479	4	120.7583	0.229	4	121.1990	0.778	12	119.8443	3.818	93	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	122.1200	0.000	1	122.1200	0.000	1	121.1990	0.778	12	119.8443	3.818	93	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	121.7570	2.017	2	121.7570	4.067	2	121.1990	0.778	12	119.8443	3.818	93	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	121.9650	0.000	1	121.9650	0.000	1	121.1990	0.778	12	119.8443	3.818	93	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	121.4620	0.000	1	121.4620	0.000	1	121.1990	0.778	12	119.8443	3.818	93	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|O<1>,2|O<2>}	120.7350	0.000	1	120.7350	0.000	1	120.7350	0.000	1	119.8443	3.818	93	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[6a]-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]O[6a])(C[5]C[5,6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(O[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]O[6a])(C[5]C[5,6a]O){1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(O[6a]C[6a]){2|H<1>,2|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|O<1>,3|C<3>}	118.3135	0.414	2	118.3135	0.171	2	118.3135	0.171	2	119.8443	3.818	93	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:S-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]S)(C[5]N[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(SC[6a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]S)(C[5]N[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]S)(C[5]N[5]N){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(SC[6a]){1|H<1>,2|C<3>,2|N<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]S)(C[5]N[5]N){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	121.6145	0.616	2	121.6145	0.379	2	121.6145	0.379	2	119.8443	3.818	93	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H){1|C<2>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]O){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	121.2150	0.000	1	121.2150	0.000	1	120.3805	1.393	2	119.8443	3.818	93	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	119.5460	0.000	1	119.5460	0.000	1	120.3805	1.393	2	119.8443	3.818	93	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]S[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]S[5]H){1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5]H){1|C<2>,1|C<3>,2|H<1>}	120.4700	0.000	1	120.4700	0.000	1	120.4700	0.000	1	119.8443	3.818	93	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:N-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(NS)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(N[5]C[5]H){1|Zn<5>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(NS){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn){1|C<3>,1|N<2>,3|H<1>}	121.8390	0.000	1	121.8390	0.000	1	121.8390	0.000	1	119.8443	3.818	93	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(N[5]C[5]H){1|C<2>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.6070	0.000	1	120.6070	0.000	1	120.6070	0.000	1	119.8443	3.818	93	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	121.7470	0.089	2	121.8278	2.490	10	121.8278	2.490	10	119.8443	3.818	93	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(N[5]C[5]C){1|Ru<7>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(N[5]C[5]C){1|Ru<7>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	121.8480	1.788	8	121.8278	2.490	10	121.8278	2.490	10	119.8443	3.818	93	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	N[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]O)(OC)	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H)	C[5,6a](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]O)(OC){1|O<2>,4|C<3>}	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H){2|O<2>,3|C<3>}	119.0690	0.000	1	119.0690	0.000	1	119.0690	0.000	1	119.8443	3.818	93	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:O-2:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]O)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]S[5])(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)(S[5]C[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]O)(C[5]C[5]H){1|O<2>,1|S<4>,2|C<3>,2|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]S[5])(OC){1|H<1>,1|S<4>,2|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)(S[5]C[5]OO){1|H<1>,1|O<2>,3|C<3>}	119.1490	0.000	1	119.1490	0.000	1	119.1490	0.000	1	121.0582	1.839	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6,6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]O)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]2)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]O[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]O)(C[5]O[5]O){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]2)(OH){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]O[5]HO){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	120.6080	0.000	1	120.6080	0.000	1	121.3799	0.403	7	121.0582	1.839	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6,6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]O)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]O[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]O)(C[5]O[5]O){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(OH){1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]O[5]CH){1|C<3>,1|O<1>,2|O<2>}	121.5085	0.587	6	121.5085	0.344	6	121.3799	0.403	7	121.0582	1.839	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NC){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	120.0440	0.000	1	120.0440	0.000	1	120.3980	0.251	2	121.0582	1.839	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HS)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]C){1|C<3>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NC){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HS){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	120.7520	0.000	1	120.7520	0.000	1	120.3980	0.251	2	121.0582	1.839	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]2){1|O<2>,1|S<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	119.4680	0.187	2	120.0306	0.547	5	121.1185	2.240	40	121.0582	1.839	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]2){1|O<2>,1|S<3>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.4057	0.740	3	120.0306	0.547	5	121.1185	2.240	40	121.0582	1.839	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	121.8265	0.155	2	121.8265	0.024	2	121.1185	2.240	40	121.0582	1.839	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OIr)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]N){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OIr){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	123.0830	0.434	2	123.0830	0.188	2	121.1185	2.240	40	121.0582	1.839	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OCr)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]N){1|Cl<1>,1|C<3>,1|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OCr){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]C[5]CH){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	123.5700	0.000	1	123.5700	0.000	1	121.1185	2.240	40	121.0582	1.839	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OIr)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]N){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OIr){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	122.9110	0.000	1	122.9110	0.000	1	121.1185	2.240	40	121.0582	1.839	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(ONi)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]N){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(ONi){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	123.3790	0.731	2	123.3790	0.535	2	121.1185	2.240	40	121.0582	1.839	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]O){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OC){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]CC){1|C<3>,1|H<1>,1|O<1>,2|O<2>}	115.8840	0.000	1	115.8840	0.000	1	121.1185	2.240	40	121.0582	1.839	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]O){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	120.5890	0.000	1	120.2730	0.223	5	121.1185	2.240	40	121.0582	1.839	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]O){1|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	120.0983	0.573	3	120.2730	0.223	5	121.1185	2.240	40	121.0582	1.839	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]O){2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	120.4810	0.000	1	120.2730	0.223	5	121.1185	2.240	40	121.0582	1.839	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]O){1|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	121.9390	0.000	2	121.9390	0.000	2	121.1185	2.240	40	121.0582	1.839	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]O){1|C<3>,1|O<2>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	119.8560	0.000	1	119.8560	0.000	1	121.1185	2.240	40	121.0582	1.839	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]S)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]S){1|C<3>,2|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OH){1|C<3>,1|H<1>,1|S<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,1|H<1>,1|O<2>,1|S<1>,2|C<4>}	121.3960	0.000	1	121.3960	0.000	1	121.1185	2.240	40	121.0582	1.839	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]S)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]S){1|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|S<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<2>,1|S<1>,3|H<1>}	120.7285	0.337	2	120.7285	0.114	2	121.1185	2.240	40	121.0582	1.839	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]O){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	121.3280	0.000	1	121.3280	0.000	1	121.1185	2.240	40	121.0582	1.839	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]C)(OFe)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]H)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]N){1|C<4>,1|N<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]C)(OFe){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]H)(C[5]O[5]HH){1|C<3>,1|N<3>,1|O<2>}	122.1150	0.000	1	122.1150	0.000	1	121.1185	2.240	40	121.0582	1.839	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OC){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	120.7040	0.000	1	120.7040	0.000	1	121.1185	2.240	40	121.0582	1.839	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OC){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|O<1>,1|O<2>,2|C<3>}	120.8010	0.000	1	120.8010	0.000	1	121.1185	2.240	40	121.0582	1.839	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	122.4370	0.000	1	122.1015	0.225	2	121.1185	2.240	40	121.0582	1.839	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH){1|C<3>,1|O<1>,2|O<2>}	121.7660	0.000	1	122.1015	0.225	2	121.1185	2.240	40	121.0582	1.839	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]O[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]O[5]CH){1|C<3>,1|O<1>,2|O<2>}	123.2460	0.000	1	123.2460	0.000	1	121.1185	2.240	40	121.0582	1.839	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH){1|C<3>,1|O<1>,2|O<2>}	120.1300	0.000	1	120.1300	0.000	1	121.1185	2.240	40	121.0582	1.839	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,1|O<1>,2|O<2>}	119.8025	0.532	2	119.8025	0.284	2	121.1185	2.240	40	121.0582	1.839	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O){1|C<3>,1|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]CC){1|C<3>,1|O<1>,2|O<2>}	121.3410	0.854	2	121.3410	0.730	2	121.1185	2.240	40	121.0582	1.839	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH){1|C<3>,1|O<1>,2|O<2>}	121.9140	0.000	1	121.9140	0.000	1	121.1185	2.240	40	121.0582	1.839	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HO){1|C<3>,1|O<1>,2|O<2>}	120.3190	0.000	1	120.3190	0.000	1	121.1185	2.240	40	121.0582	1.839	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|O<1>,2|O<2>}	120.6480	0.000	1	120.6480	0.000	1	121.1185	2.240	40	121.0582	1.839	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]O[5]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]O[5]O){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(OC){1|C<4>,1|O<1>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]O[5]HH){1|O<1>,1|O<2>,2|C<3>}	123.0110	0.000	1	123.0110	0.000	1	122.3670	0.829	2	121.0582	1.839	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]O[5]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]O[5]O){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(OH){1|C<4>,1|O<1>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]CH){1|O<1>,1|O<2>,2|C<3>}	121.7230	0.000	1	121.7230	0.000	1	122.3670	0.829	2	121.0582	1.839	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|H<1>,1|O<1>,2|O<2>,3|C<3>}	121.4590	0.000	2	121.4590	0.000	2	120.6797	1.822	3	121.0582	1.839	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(OC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(N[5]C[5]C){1|C<3>,1|O<2>,5|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(OC){1|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.1210	0.000	1	119.1210	0.000	1	120.6797	1.822	3	121.0582	1.839	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	120.5875	0.254	2	120.5875	0.064	2	120.5875	0.064	2	121.0582	1.839	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]O){1|C<3>,2|N<2>,6|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<2>,2|C<3>,3|H<1>}	119.5980	0.000	1	119.5980	0.000	1	119.5980	0.000	1	121.0582	1.839	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:S-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(SC[6a])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]S){1|C<3>,2|N<2>,6|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(SC[6a]){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|S<2>,2|C<3>,3|H<1>}	120.5420	0.000	1	120.5420	0.000	1	120.5420	0.000	1	121.0582	1.839	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:4:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(OC)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]CC)(C[6a]C[5,6a]O)	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O){1|O<2>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(OC){1|S<2>,3|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]CC)(C[6a]C[5,6a]O){1|O<2>,1|S<2>,3|C<3>}	122.0445	0.235	2	122.0445	0.055	2	122.0445	0.055	2	121.2665	1.405	24	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	119.8730	0.000	1	119.5433	0.084	3	119.5433	0.084	3	121.2665	1.405	24	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.3785	0.073	2	119.5433	0.084	3	119.5433	0.084	3	121.2665	1.405	24	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CN)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CN){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]2){1|C<2>,6|C<3>}	119.1080	0.000	1	119.1080	0.000	1	120.2035	2.400	2	121.2665	1.405	24	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]N)(CN)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]N[6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|O<1>,2|C<3>,2|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]N)(CN){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]N[6a]O){1|C<2>,4|C<3>}	121.2990	0.000	1	121.2990	0.000	1	120.2035	2.400	2	121.2665	1.405	24	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5,6]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[5,6])(C[5]C[5,6]H)(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C)(OC)	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[5,6a]C[5,6])(C[5]C[5,6]H)(C[6a]C[6a]O){1|C<3>,1|O<2>,4|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C)(OC){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5]){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	121.7650	0.000	1	121.7650	0.000	1	121.7650	0.000	1	121.2665	1.405	24	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]O){1|O<2>,2|H<1>,4|C<3>}	119.8760	0.000	1	119.8760	0.000	1	119.8760	0.000	1	121.2665	1.405	24	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)(C[5]O[5]O){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,3|O<2>}	122.0610	0.000	1	122.0610	0.000	1	122.0610	0.000	1	121.2665	1.405	24	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[6]2O[5])(C[6a]C[6a]Br)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[5]O[5]O){1|Br<1>,1|C<4>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[6]2O[5])(C[6a]C[6a]Br){1|C<4>,1|O<2>,2|C<3>,2|O<1>,3|H<1>}	122.2930	0.000	1	122.2930	0.000	1	122.2930	0.000	1	121.2665	1.405	24	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	120.5360	0.331	3	120.5360	0.110	3	120.8722	0.253	6	121.2665	1.405	24	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]C){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	120.9640	0.096	2	120.9640	0.009	2	120.8722	0.253	6	121.2665	1.405	24	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]C){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	121.6970	0.000	1	121.6970	0.000	1	120.8722	0.253	6	121.2665	1.405	24	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|O<1>,4|C<4>,4|H<1>}	122.9160	0.000	2	122.9160	0.000	2	122.9160	0.000	2	121.2665	1.405	24	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	121.1650	0.000	1	121.1650	0.000	1	122.2638	0.607	4	121.2665	1.405	24	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(OC)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)(N[5]C[5]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	122.6300	0.326	3	122.6300	0.106	3	122.2638	0.607	4	121.2665	1.405	24	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:4:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(OH)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]O){1|O<1>,1|S<2>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|H<1>,1|O<2>,1|S<2>,3|C<3>}	121.1550	0.000	1	121.1550	0.000	1	121.1550	0.000	1	121.2665	1.405	24	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|O<2>}	119.6880	0.000	1	119.6880	0.000	1	120.2505	3.543	4	120.7586	1.397	17	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OH)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OH){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	123.0350	0.000	1	123.0350	0.000	1	120.2505	3.543	4	120.7586	1.397	17	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<2>,5|C<3>}	119.1395	0.301	2	119.1395	0.090	2	120.2505	3.543	4	120.7586	1.397	17	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,5]C[5,6a]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)(C[5]N[5]O){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,5]C[5,6a]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	121.2740	0.141	2	121.2740	0.020	2	121.2740	0.020	2	120.7586	1.397	17	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:O-2:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a,6a]O)(C[5]C[5,5,6]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(OC)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a,6a]O)(C[5]C[5,5,6]N){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(OC){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O){1|N<2>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	120.5260	0.000	1	120.5260	0.000	1	120.5260	0.000	1	120.7586	1.397	17	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)(N[5]C[5,6]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)(N[5]C[5,6]H){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,3|C<4>,6|H<1>}	121.0130	0.000	1	121.0130	0.000	1	121.3402	0.758	6	120.7586	1.397	17	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)(N[5]C[5,6]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(OH)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)(N[5]C[5,6]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(OH){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	121.3740	1.379	2	121.3740	1.901	2	121.3402	0.758	6	120.7586	1.397	17	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)(N[5]C[5,6]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(OC)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)(N[5]C[5,6]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(OC){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|O<2>,4|H<1>}	121.4267	0.938	3	121.4267	0.880	3	121.3402	0.758	6	120.7586	1.397	17	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]O){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|O<2>,4|C<4>,4|H<1>}	118.9850	0.000	1	118.9850	0.000	1	118.9850	0.000	1	120.7586	1.397	17	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,6]C[5,5,6]C[6])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,5]C[5,5,6]C[5]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,6]C[5,5,6]C[6])(C[6a]C[6a]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5,6]C[5]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	121.1280	0.000	1	121.1280	0.000	1	121.1280	0.000	1	120.7586	1.397	17	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6]C[5,6,6]C[6]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6,6]C[6]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	120.8890	0.000	1	120.8890	0.000	1	120.8890	0.000	1	120.7586	1.397	17	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	4:3:3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,5]C[5,5,6,6]C[5]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5,6,6]C[5]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	119.7780	0.000	1	119.7780	0.000	1	119.7780	0.000	1	120.7586	1.397	17	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:2:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:Se[5]-2:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Se[5]C[5,6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|Se<2>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Se[5]C[5,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	117.6562	0.214	4	117.6562	0.046	4	117.6562	0.046	4	118.4157	1.000	7	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:2:3:	C[5,6a]-3:C[6a]-3:C[5,6a]-3:	C[5a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5,6a]N[6a]C[5])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(N[6a]C[5a,6a])(C[5]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5,6a]N[6a]C[5]){2|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2){1|C<4>,1|N<2>,1|N<3>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(N[6a]C[5a,6a])(C[5]C[5,6a]H){1|N<3>,4|C<3>}	119.9610	0.000	1	119.9610	0.000	1	119.9610	0.000	1	118.4157	1.000	7	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:2:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[6a]-3:N-3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(NHH)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H){1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(NHH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){2|N<3>,3|H<1>}	119.1620	0.236	2	119.1620	0.056	2	119.1620	0.056	2	118.4157	1.000	7	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:2:4:	C[6a]-3:C[5,6a]-3:C[5]-3:	C[5a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:C[5]-4:	C[5,6a](C[6a]C[5a,6a]C[6a])(C[5,6a]N[6a]C[5])(C[5]O[5]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[5a,6a])(C[5]O[5]HH)	C[5,6a](C[6a]C[5a,6a]C[6a])(C[5,6a]N[6a]C[5])(C[5]O[5]O){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<2>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[5a,6a])(C[5]O[5]HH){1|O<1>,1|O<2>,2|C<3>}	121.4800	0.000	2	121.4800	0.000	2	121.4800	0.000	2	121.2710	0.131	3	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:2:4:	C[6a]-3:C[5,6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:C[5]-4:	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]N[6a]C[5])(C[5]N[5]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]N[5]HH)	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]N[6a]C[5])(C[5]N[5]O){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2){1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]N[5]HH){1|C<4>,1|O<1>,3|C<3>}	120.8530	0.000	1	120.8530	0.000	1	120.8530	0.000	1	121.2710	0.131	3	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(N[6a]N[6a])	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,6|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(N[6a]N[6a]){1|H<1>,5|C<3>}	117.5520	0.000	1	117.5520	0.000	1	117.5520	0.000	1	120.2527	5.444	26	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:Se[5]-2:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[5,6a]C)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])(Se[5]C[5,6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]2){1|C<2>,1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[5,6a]C)(C[6a]C[6a]2){1|Se<2>,1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])(Se[5]C[5,6a]){2|C<4>,2|H<1>,4|C<3>}	118.6605	0.111	2	118.6605	0.012	2	118.6605	0.012	2	120.2527	5.444	26	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]N)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2){1|N<3>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]N){1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	119.0580	0.000	1	119.0580	0.000	1	119.7980	0.415	3	120.2527	5.444	26	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]N[6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2){1|N<2>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|N<2>,1|O<1>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]N[6a]){1|H<1>,1|O<1>,4|C<3>}	120.1680	0.091	2	120.1680	0.008	2	119.7980	0.415	3	120.2527	5.444	26	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:O[6a]-2:	C[5,6a](C[5,6a]C[5,6a]O[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(O[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]O[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(O[6a]C[6a]){1|H<1>,1|O<1>,5|C<3>}	118.2400	0.000	1	118.2400	0.000	1	118.2400	0.000	1	120.2527	5.444	26	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5,6a]-3:	C[5a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5,6a]C[6a]N[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[5]C[5,6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5,6a]C[6a]N[5]){1|H<1>,1|N<2>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2){1|N<2>,2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[5]C[5,6a]){7|C<3>}	122.2300	0.000	1	122.2300	0.000	1	122.2300	0.000	1	120.2527	5.444	26	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:B[5]-3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[5,6a]B[5])(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]Se[5])(C[5,6a]C[5,6a]C[5])(B[5]O[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]B[5])(Se[5]C[5])	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[5,6a]B[5])(C[5]C[5]H){1|Se<2>,1|Si<4>,1|B<3>,1|C<3>,2|O<2>}	C[6a](C[5,6a]C[5,6a]Se[5])(C[5,6a]C[5,6a]C[5])(B[5]O[5]2){1|Se<2>,1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]B[5])(Se[5]C[5]){1|Si<4>,1|B<3>,1|H<1>,2|C<3>,2|O<2>}	121.3750	0.000	1	121.3750	0.000	1	121.3750	0.000	1	120.2527	5.444	26	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a]C[6a])(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a]C[6a])(C[5]C[5]C){1|C<2>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5]){1|N<3>,1|O<1>,3|C<3>}	116.7820	0.000	1	116.7820	0.000	1	116.7820	0.000	1	120.2527	5.444	26	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O){6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2){1|N<2>,1|O<1>,2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a]){1|H<1>,1|O<1>,5|C<3>}	121.2280	0.000	1	121.2280	0.000	1	121.2280	0.000	1	120.2527	5.444	26	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]C){1|N<3>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)2{1|N<2>,2|C<2>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]){1|N<3>,2|C<2>,4|C<3>}	119.9050	0.000	1	119.9050	0.000	1	119.9050	0.000	1	120.2527	5.444	26	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NOO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(C[5]C[5]C){1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NOO){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	113.7420	0.000	1	113.7420	0.000	1	113.7420	0.000	1	120.2527	5.444	26	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[5a,6a]C[6a])(C[5]C[5,6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[5a,6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[5a,6a]C[6a])(C[5]C[5,6a]C){6|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2){1|C<4>,1|N<3>,2|H<1>,2|N<2>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[5a,6a]){1|H<1>,1|N<3>,5|C<3>}	118.8360	0.000	1	118.8360	0.000	1	120.9302	1.455	6	120.2527	5.444	26	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[5a,6a]C[6a])(C[5]C[5,6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[5a,6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[5a,6a]C[6a])(C[5]C[5,6a]O){6|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|H<1>,2|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[5a,6a]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	121.6235	0.411	4	121.3490	0.503	5	120.9302	1.455	6	120.2527	5.444	26	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[5a,6a]C[6a])(C[5]C[5,6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[5a,6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[5a,6a]C[6a])(C[5]C[5,6a]O){6|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2){1|N<2>,2|H<1>,2|N<3>,2|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[5a,6a]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	120.2510	0.000	1	121.3490	0.503	5	120.9302	1.455	6	120.2527	5.444	26	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O){6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2){1|N<2>,1|O<1>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a]){1|H<1>,1|O<1>,5|C<3>}	120.5180	0.000	1	120.5180	0.000	1	120.5180	0.000	1	120.2527	5.444	26	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a]C[6a])(N[5]O[5]O)	C[6a](C[5,6a]C[5,6a]N[5])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]N)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(N[5]O[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a]C[6a])(N[5]O[5]O){2|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]N){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(N[5]O[5]){1|H<1>,1|O<1>,2|C<3>}	125.5640	0.000	1	125.5640	0.000	1	125.5640	0.000	1	120.2527	5.444	26	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]2)(N[5]S[5]Pd)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(N[5]S[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]2)(N[5]S[5]Pd){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|Pd<4>,1|N<2>,1|S<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(N[5]S[5]){1|Pd<4>,1|H<1>,2|C<3>}	123.2845	0.777	2	123.2845	0.604	2	123.2845	0.604	2	120.2527	5.444	26	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]N)(N[5]C[5]Co)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(NHS)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]N)(N[5]C[5]Co){1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(NHS){1|Co<6>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Co<6>,1|C<3>,1|N<3>,2|H<1>}	120.0610	0.000	1	120.0610	0.000	1	119.9970	0.008	2	120.2527	5.444	26	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]N)(N[5]C[5]Ni)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(NHS)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]N)(N[5]C[5]Ni){1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(NHS){1|Ni<6>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ni<6>,1|C<3>,1|N<3>,2|H<1>}	119.9330	0.000	1	119.9330	0.000	1	119.9970	0.008	2	120.2527	5.444	26	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[5,6a]-3:C[5,5]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]Se[5])(C[5,5]N[5,5]O[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a,6a]H)(Se[5]N[5,5])	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]Se[5])(C[5,5]N[5,5]O[5]){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]2){1|Se<2>,1|N<3>,1|O<2>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a,6a]H)(Se[5]N[5,5]){1|C<4>,1|O<2>,3|C<3>}	120.5750	0.000	1	120.5750	0.000	1	120.5750	0.000	1	120.2527	5.444	26	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]C[6a]){1|H<1>,8|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]C[6a]){1|H<1>,8|C<3>}	121.9828	0.718	6	121.9828	0.515	6	121.9828	0.515	6	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(COO)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(COO){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	118.9630	0.000	1	118.9630	0.000	1	119.1645	0.081	2	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(COO)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(COO){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	119.3660	0.000	1	119.3660	0.000	1	119.1645	0.081	2	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:P[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(COO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]C){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(COO){1|H<1>,1|P<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	117.5180	0.000	1	117.5180	0.000	1	117.5180	0.000	1	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|H<1>,6|C<3>}	121.3750	0.000	1	121.3750	0.000	1	120.8145	0.410	28	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|Si<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|Si<4>,1|H<1>,7|C<3>}	120.2965	0.189	2	120.4647	0.153	12	120.8145	0.410	28	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,8|C<3>}	120.2908	0.373	6	120.4647	0.153	12	120.8145	0.410	28	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	120.8095	0.286	4	120.4647	0.153	12	120.8145	0.410	28	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]N[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]C)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]N[6a]H){2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]C){1|H<1>,5|C<3>}	119.3630	0.000	1	119.3630	0.000	1	120.8145	0.410	28	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)2	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,8|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)2{2|H<1>,9|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,8|C<3>}	120.7115	0.501	2	121.2028	0.330	8	120.8145	0.410	28	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)2	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,8|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)2{3|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	121.3665	0.532	6	121.2028	0.330	8	120.8145	0.410	28	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,8|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]2){1|Ir<6>,1|N<3>,2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|Ir<6>,1|H<1>,7|C<3>}	120.6315	0.551	2	120.6315	0.303	2	120.8145	0.410	28	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Ir)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|Ir<6>,1|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Ir)(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,8|C<3>}	121.2675	0.373	2	121.2675	0.139	2	120.8145	0.410	28	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Si)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|Si<4>,1|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Si)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	121.5355	0.077	2	121.5355	0.006	2	120.8145	0.410	28	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2){1|C<2>,1|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2){1|C<4>,6|C<3>}	121.4355	0.118	2	121.7733	0.245	6	121.5191	0.330	14	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2){1|C<2>,1|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]C){3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,6|C<3>}	122.3145	0.015	2	121.7733	0.245	6	121.5191	0.330	14	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2){1|H<1>,8|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2){1|C<4>,6|C<3>}	121.1750	0.000	1	121.7733	0.245	6	121.5191	0.330	14	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2){1|H<1>,8|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]C){3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,6|C<3>}	121.9650	0.000	1	121.7733	0.245	6	121.5191	0.330	14	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2){1|H<1>,1|O<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2){1|C<4>,6|C<3>}	120.0300	0.000	1	121.2112	0.658	4	121.5191	0.330	14	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2){1|H<1>,1|O<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]C){3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2){1|H<1>,6|C<3>}	121.6050	0.239	3	121.2112	0.658	4	121.5191	0.330	14	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2){1|H<1>,8|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)2{3|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,6|C<3>}	121.8300	0.000	1	121.8300	0.000	1	121.5191	0.330	14	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2){1|H<1>,1|O<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)2{3|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2){1|H<1>,6|C<3>}	121.3985	0.265	2	121.3985	0.070	2	121.5191	0.330	14	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	121.1550	0.000	1	121.1550	0.000	1	121.5191	0.330	14	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]2){1|Br<1>,1|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a]){2|H<1>,7|C<3>}	121.3760	0.000	1	121.3760	0.000	1	121.3760	0.000	1	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]2)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]2){1|C<4>,1|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C){1|H<1>,6|C<3>}	121.0860	0.000	1	121.0860	0.000	1	121.0860	0.000	1	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NHH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NHH){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	120.8440	0.000	1	120.8440	0.000	1	116.8263	0.985	28	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N){1|Br<1>,1|C<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO){1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|N<3>,3|C<3>}	116.3195	0.470	2	116.9272	0.216	14	116.8263	0.985	28	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO){1|C<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|C<2>,1|N<3>,3|C<3>}	117.2590	0.238	2	116.9272	0.216	14	116.8263	0.985	28	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO){1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|N<3>,3|C<3>}	117.0558	0.347	6	116.9272	0.216	14	116.8263	0.985	28	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO){1|S<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|N<3>,1|S<4>,3|C<3>}	117.0885	0.431	2	116.9272	0.216	14	116.8263	0.985	28	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO){5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|N<3>,4|C<3>}	116.6560	0.696	2	116.9272	0.216	14	116.8263	0.985	28	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO){1|C<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|C<2>,1|N<3>,3|C<3>}	116.0670	0.115	2	116.4085	0.437	13	116.8263	0.985	28	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO){1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){2|N<3>,3|C<3>}	116.7182	0.383	8	116.4085	0.437	13	116.8263	0.985	28	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO){5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|N<3>,4|C<3>}	115.7965	1.460	2	116.4085	0.437	13	116.8263	0.985	28	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO){1|Br<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|Br<1>,1|N<3>,3|C<3>}	115.8380	0.000	1	116.4085	0.437	13	116.8263	0.985	28	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a]){1|H<1>,8|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[5,6a]2)(C[6a]C[6a]2){1|S<2>,2|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a]){1|H<1>,1|S<2>,7|C<3>}	121.5860	0.000	1	121.3227	0.180	3	121.3640	0.127	4	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a]){1|H<1>,8|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[5,6a]2)(C[6a]C[6a]2){2|H<1>,9|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a]){1|H<1>,8|C<3>}	121.1910	0.506	2	121.3227	0.180	3	121.3640	0.127	4	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a]){1|H<1>,1|S<2>,7|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a]){1|H<1>,8|C<3>}	121.4880	0.000	1	121.4880	0.000	1	121.3640	0.127	4	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6,6a]C[6a])	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6,6a]C[6a]){1|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6,6a]C[6a]){1|H<1>,8|C<3>}	121.1733	0.127	6	121.1733	0.016	6	121.1733	0.016	6	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O){2|C<4>,6|C<3>}	122.7330	0.450	6	122.7330	0.202	6	122.7330	0.202	6	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]Cl)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|Cl<1>,8|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]Cl){7|C<3>}	119.7800	1.020	2	119.7800	1.040	2	120.5945	0.548	8	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|H<1>,8|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2){2|H<1>,9|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|H<1>,8|C<3>}	120.6800	0.437	4	120.8660	0.206	6	120.5945	0.548	8	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|H<1>,8|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|H<1>,8|C<3>}	121.2380	0.199	2	120.8660	0.206	6	120.5945	0.548	8	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2){1|H<1>,1|O<1>,7|C<3>}	C[6a](C[6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2){1|H<1>,1|N<3>,9|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(C[5]C[5,6a]O){7|C<3>}	122.2360	0.000	1	122.2360	0.000	1	122.2360	0.000	1	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CC[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]C){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CC[6a]2){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.4815	0.357	4	119.4815	0.127	4	119.7150	0.368	5	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(COO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(COO){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	120.6490	0.000	1	120.6490	0.000	1	119.7150	0.368	5	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|O<1>,3|C<4>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	121.6570	0.000	1	121.6570	0.000	1	121.6570	0.000	1	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a]2)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[5,6a]2)(C[5]C[5,6a]O)(C[6a]C[6a]2){7|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5]){1|H<1>,2|O<1>,6|C<3>}	122.7080	0.000	1	122.7080	0.000	1	122.7080	0.000	1	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2){1|C<4>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]C){1|C<2>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2){1|C<2>,1|H<1>,7|C<3>}	120.3225	0.258	2	120.6157	0.291	3	121.0736	0.570	14	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2){1|C<4>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2){1|H<1>,8|C<3>}	121.2020	0.000	1	120.6157	0.291	3	121.0736	0.570	14	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<2>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2){1|C<2>,1|H<1>,7|C<3>}	120.3950	0.075	2	120.4952	0.058	4	121.0736	0.570	14	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2){1|H<1>,8|C<3>}	120.5955	0.357	2	120.4952	0.058	4	121.0736	0.570	14	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2){1|C<4>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]C){1|O<1>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2){1|H<1>,1|O<1>,7|C<3>}	122.9210	0.000	1	122.9210	0.000	1	121.0736	0.570	14	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2){1|H<1>,1|O<1>,7|C<3>}	121.4854	0.305	5	121.4854	0.093	5	121.0736	0.570	14	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	120.8550	0.000	1	120.8550	0.000	1	121.0736	0.570	14	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5]){1|H<1>,8|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2){2|H<1>,9|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]){9|C<3>}	122.2615	0.261	2	122.2615	0.068	2	122.2615	0.068	2	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5,6a]-3:	C[5a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5,6a]C[6a]C[5]){1|H<1>,8|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2){2|H<1>,9|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5a]){1|S<2>,8|C<3>}	121.7410	0.000	1	121.7410	0.000	1	122.0640	0.209	2	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5,6a]-3:	C[5a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5,6a]C[6a]C[5]){1|H<1>,8|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2){2|H<1>,9|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a]){9|C<3>}	122.3870	0.000	1	122.3870	0.000	1	122.0640	0.209	2	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5]){1|O<1>,8|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5]){1|O<1>,8|C<3>}	131.2670	0.000	2	131.2670	0.000	2	131.2670	0.000	2	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5]){1|H<1>,1|O<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O){7|C<3>}	121.2495	0.540	2	120.9932	0.185	4	120.9932	0.185	4	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5]){1|O<1>,8|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O){7|C<3>}	120.7370	0.000	2	120.9932	0.185	4	120.9932	0.185	4	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]){9|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2){2|H<1>,9|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5]){1|H<1>,8|C<3>}	119.8500	0.095	2	119.8500	0.009	2	119.8500	0.009	2	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:N[6]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]N[6])(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])2(N[6]C[6]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]N[6])(C[5]N[5]O){1|H<1>,1|O<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])2(N[6]C[6]2){2|H<1>,2|N<3>,2|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O){1|N<3>,1|O<1>,3|C<3>}	121.7390	0.833	2	121.7390	0.694	2	121.7390	0.694	2	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5a])	C[6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5a]){1|S<2>,8|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){2|H<1>,9|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5,6a]C[6a]C[5]){1|H<1>,8|C<3>}	120.9110	0.000	1	120.9110	0.000	1	120.4745	0.381	2	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a]){9|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){2|H<1>,9|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5,6a]C[6a]C[5]){1|H<1>,8|C<3>}	120.0380	0.000	1	120.0380	0.000	1	120.4745	0.381	2	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]O){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CCO){1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,6|C<3>}	122.5200	0.000	1	122.5200	0.000	1	122.5200	0.000	1	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O){1|C<4>,1|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(COO){1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O){1|O<1>,4|C<3>}	122.2320	0.422	3	122.2320	0.178	3	121.4170	1.463	6	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(COO){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|H<1>,1|O<1>,3|C<3>}	120.4490	0.000	1	120.4490	0.000	1	121.4170	1.463	6	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]O)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]N)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]O)(COO){1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]N)(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>}	119.4670	0.000	1	120.6785	2.935	2	121.4170	1.463	6	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]O)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]N)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O){1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]O)(COO){1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]N)(C[5]N[5]O){1|H<1>,1|O<1>,2|C<3>}	121.8900	0.000	1	120.6785	2.935	2	121.4170	1.463	6	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]O[6a]O)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]O[6a]O)(C[5]C[5]H){4|C<3>}	119.8135	0.108	2	119.8135	0.012	2	119.8135	0.012	2	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]O){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]C){1|H<1>,2|C<3>,2|O<1>}	122.0160	0.000	1	122.0160	0.000	1	122.0160	0.000	1	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	121.9576	0.529	5	121.9576	0.280	5	120.7908	3.030	17	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NC[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NC[6a]H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	121.7770	0.185	4	121.7770	0.034	4	120.7908	3.030	17	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NHH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	121.1830	0.000	1	121.1830	0.000	1	120.7908	3.030	17	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NOO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	118.1260	0.000	1	118.2392	0.119	5	120.7908	3.030	17	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NOO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]O){1|C<3>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	117.9590	0.000	1	118.2392	0.119	5	120.7908	3.030	17	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NOO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	118.3703	0.407	3	118.2392	0.119	5	120.7908	3.030	17	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]O[5]O){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NCH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	122.0840	0.173	2	122.0840	0.030	2	120.7908	3.030	17	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(C[5]N[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NOO)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(C[5]N[5]H){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,3|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5a]N[5])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>,2|N<3>}	117.3300	0.000	1	117.3300	0.000	1	117.3300	0.000	1	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N[5])(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N[5])(C[5]N[5]O){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]2){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	119.7250	0.191	2	119.7250	0.036	2	119.7250	0.036	2	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[6]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6])(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(N[6]C[6]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6])(C[5]N[5]O){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(N[6]C[6]2){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	120.9720	0.000	1	120.9720	0.000	1	120.9720	0.000	1	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]N)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]2)(NCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]N)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]2)(NCH){1|N<3>,2|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|N<3>,2|O<1>}	118.8300	0.000	1	118.8300	0.000	1	118.8300	0.000	1	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O){7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2){1|O<1>,3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5]){1|H<1>,1|O<1>,7|C<3>}	122.2040	0.494	2	122.6095	0.300	4	122.6095	0.300	4	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O){7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2){1|O<1>,3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5]){1|O<1>,8|C<3>}	123.0150	0.000	2	122.6095	0.300	4	122.6095	0.300	4	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a]C[6a])(N[5]C[5]Ni)	C[6a](C[5,6a]C[5,6a]N[5])(C[5a]C[5a]N[5a])(C[6a]C[6a]N[6a])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a]C[6a])(N[5]C[5]Ni){1|N<2>,1|N<3>,1|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[5a]C[5a]N[5a])(C[6a]C[6a]N[6a]){1|Ni<4>,1|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N[6a])(C[5]C[5]O){1|Ni<4>,5|C<3>}	119.7640	0.000	1	119.7640	0.000	1	119.7640	0.000	1	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]C[5]Mn)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CHN)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]C[5]Mn){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CHN){1|Mn<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Mn<5>,1|H<1>,3|C<3>}	120.7970	0.257	2	120.7970	0.066	2	121.8672	0.712	6	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]C[5]Ni)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CNO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]C[5]Ni){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CNO){1|Ni<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<4>,1|H<1>,3|C<3>}	122.4587	0.094	3	122.4587	0.009	3	121.8672	0.712	6	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]S[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]2)(N[5]S[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]S[5]H){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCH){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]2)(N[5]S[5]H){2|H<1>,4|C<3>}	122.2330	0.000	1	122.2330	0.000	1	121.8672	0.712	6	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C[5])(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N[6a])(C[5]C[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C[5])(N[5]C[5]H){1|O<1>,2|N<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N[6a])(C[5]C[5]N[5]){2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N[6a])(C[5]C[5]O){1|H<1>,5|C<3>}	120.8840	0.000	1	120.8840	0.000	1	120.8840	0.000	1	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H){2|H<1>,5|C<3>}	122.5060	0.349	2	122.5060	0.122	2	121.9642	1.290	4	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Pt)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Pt){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|Pt<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pt<4>,1|H<1>,3|C<3>}	122.5570	0.000	1	122.5570	0.000	1	121.9642	1.290	4	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]2)(N[5]S[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]S[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]2)(N[5]S[5]H){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|S<2>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]S[5]H){2|C<3>,2|H<1>}	120.2880	0.000	1	120.2880	0.000	1	121.9642	1.290	4	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(N[5]C[5]Co)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(NCoS)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(N[5]C[5]Co){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(NCoS){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<5>,1|C<3>,1|N<3>,2|H<1>}	123.7690	0.143	2	123.7690	0.020	2	123.3495	1.643	6	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(NHS)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(N[5]C[5]H){1|Co<5>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(NHS){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<3>,1|N<3>,3|H<1>}	122.3550	0.000	1	122.3550	0.000	1	123.3495	1.643	6	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(NHS)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(N[5]C[5]H){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(NHS){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|N<3>,2|C<3>,2|H<1>}	121.3070	0.000	1	121.3070	0.000	1	123.3495	1.643	6	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(N[5]C[5]Zn)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(NZnS)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(N[5]C[5]Zn){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(NZnS){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Zn<5>,1|C<3>,1|N<3>,2|H<1>}	124.4485	0.517	2	124.4485	0.267	2	123.3495	1.643	6	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-3:	C[5,6a]-3:C[6]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C[6])(S[5]C[5,6a]Ru)	C[6a](C[5,6a]C[5,6a]S[5])(C[6]C[6]N[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C[6])(S[5]C[5,6a]Ru){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6]C[6]N[6])(C[6a]C[6a]H){1|Ru<9>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Ru<9>,2|H<1>,4|C<3>}	123.7140	0.475	2	123.7140	0.226	2	123.7140	0.226	2	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-3:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(S[5]N[5]O)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(NOO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(S[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(NOO){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	118.9253	0.698	3	118.9253	0.487	3	118.9253	0.487	3	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:Se[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C[5])(Se[5]N[5]O)	C[6a](C[5,6a]C[5,6a]Se[5])(C[5]N[5]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C[5])(Se[5]N[5]O){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]Se[5])(C[5]N[5]O[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	122.6310	0.000	1	122.6310	0.000	1	122.6310	0.000	1	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5]C[5,6]Al)(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5]C[5,6]Al)(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|Al<5>,1|C<5>,1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Al<5>,1|H<1>,3|C<3>,3|C<4>}	119.4620	0.000	1	119.4620	0.000	1	119.4620	0.000	1	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:O[5]-3:C[6a]-3:	C[5,6a]-3:C-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6a]Re)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]O[5])(CC[5a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6a]Re)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(CC[5a]C[6a])(C[6a]C[6a]H){1|Re<6>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|Re<6>,2|H<1>,4|C<3>}	123.9735	0.429	2	123.9735	0.184	2	123.9735	0.184	2	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:P[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	120.3140	0.016	2	120.3140	0.000	2	120.3140	0.000	2	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:S[5]-3:C[6a]-3:	C[5,6a]-3:C-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]Re)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]S[5])(CC[5a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]Re)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(CC[5a]C[6a])(C[6a]C[6a]H){1|Re<6>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Re<6>,2|H<1>,4|C<3>}	124.1915	0.135	2	124.1915	0.018	2	124.1915	0.018	2	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:Se[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(Se[5]C[6a]N[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(CNO)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(Se[5]C[6a]N[5])(C[6a]C[6a]C){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(CNO){1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,4|C<3>}	124.8030	0.000	1	124.8030	0.000	1	124.8030	0.000	1	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[5,6a](C[6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	C[5,6a](C[6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|C<4>,1|O<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,7|C<3>}	C[5,6a](C[6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|C<4>,1|O<1>,5|C<3>}	123.1262	0.617	6	123.1262	0.381	6	123.1262	0.381	6	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|C<4>,1|O<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,7|C<3>}	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|C<4>,1|O<1>,5|C<3>}	121.8620	0.267	4	121.8620	0.071	4	121.8620	0.071	4	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5,6a]-3:C[5]-3:	C[5a,6a]-3:C[5,6a]-3:C[5a]-3:	C[6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[6a]C[5a,6a]C[5a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(C[5a]C[5a]S[5a])	C[5,6a](C[6a]C[5a,6a]C[5a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	C[5,6a](C[6a]C[5a,6a]C[5a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|C<4>,1|N<2>,1|O<1>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(C[5a]C[5a]S[5a]){1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|S<2>,4|C<3>}	C[5,6a](C[6a]C[5a,6a]C[5a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|C<4>,1|N<2>,1|O<1>,1|S<2>,3|C<3>}	124.4015	0.388	4	124.4015	0.151	4	124.4015	0.151	4	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C)	C[5,6a](C[6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(N[5]C[5]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	124.0920	0.000	1	124.0920	0.000	1	124.0920	0.000	1	120.9179	5.162	226	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5,6a]HO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2){1|N<2>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5,6a]HO){6|C<3>}	120.8010	0.000	1	120.8010	0.000	1	120.8010	0.000	1	122.7065	3.411	86	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]2){1|O<2>,2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O){1|H<1>,8|C<3>}	120.5540	0.000	1	120.5540	0.000	1	120.5540	0.000	1	122.7065	3.411	86	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(CC[6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C)(C[5]C[5,6a]HH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]C){3|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(CC[6a]O){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C)(C[5]C[5,6a]HH){5|C<3>}	119.4160	0.000	1	119.4160	0.000	1	119.4160	0.000	1	122.7065	3.411	86	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]C[6a]){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH){1|C<4>,7|C<3>}	122.6670	0.000	1	122.6670	0.000	1	122.6670	0.000	1	122.7065	3.411	86	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5,6a]-3:	C[5a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C)(C[5]C[5,6a]HH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5,6a]C[6a]C[5]){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2){1|C<4>,1|O<2>,2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C)(C[5]C[5,6a]HH){1|O<2>,4|C<3>}	121.6010	0.000	1	121.6010	0.000	1	121.6010	0.000	1	122.7065	3.411	86	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C)(C[5]C[5,6a]HH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5]){1|C<4>,2|H<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[5,6a]2)(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C)(C[5]C[5,6a]HH){5|C<3>}	120.7720	0.000	1	121.0267	0.351	6	121.0792	0.229	9	122.7065	3.411	86	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C)(C[5]C[5,6a]HH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5]){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[5,6a]2)(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C)(C[5]C[5,6a]HH){5|C<3>}	121.0776	0.648	5	121.0267	0.351	6	121.0792	0.229	9	122.7065	3.411	86	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C)(C[5]C[5,6a]HH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5]){3|H<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C)(C[5]C[5,6a]HH){5|C<3>}	121.1180	0.000	1	121.1180	0.000	1	121.0792	0.229	9	122.7065	3.411	86	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,6a]CH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5]){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,6a]CH){5|C<3>}	121.3100	0.000	1	121.3100	0.000	1	121.0792	0.229	9	122.7065	3.411	86	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]HS)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5]){1|O<2>,1|S<4>,2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]HS){5|C<3>}	121.1250	0.000	1	121.1250	0.000	1	121.0792	0.229	9	122.7065	3.411	86	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(S[5]C[5,6a]OO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5]){1|H<1>,2|O<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2){1|S<4>,3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(S[5]C[5,6a]OO){7|C<3>}	118.7370	0.481	4	118.7370	0.232	4	118.7370	0.232	4	122.7065	3.411	86	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[3])(CCC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[3])(CCC){1|C<3>,1|H<1>,1|O<1>,5|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	122.2430	0.000	1	122.2430	0.000	1	121.7595	0.468	2	122.7065	3.411	86	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O){1|C<3>,1|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(COO){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	121.2760	0.000	1	121.2760	0.000	1	121.7595	0.468	2	122.7065	3.411	86	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O){1|O<2>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]O){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<1>,2|H<1>,3|C<3>}	121.6760	0.000	1	121.7455	0.010	2	121.7455	0.010	2	122.7065	3.411	86	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O){1|O<2>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]O){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<1>,2|C<3>,3|H<1>}	121.8150	0.000	1	121.7455	0.010	2	121.7455	0.010	2	122.7065	3.411	86	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]O){2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NHH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	121.2510	0.000	1	121.2510	0.000	1	121.2510	0.000	1	122.7065	3.411	86	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(ONi2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]N){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(ONi2){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<3>,1|N<3>,1|O<3>,3|H<1>}	121.4797	0.830	3	121.4797	0.689	3	121.4797	0.689	3	122.7065	3.411	86	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]C)(C[5]O[5]O)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[5,6a]C[5,6a]C[5])(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]C)(C[5]O[5]O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[5,6a]C[5,6a]C[5])(CCO){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]CC){1|O<1>,3|C<3>}	122.4040	0.000	1	122.4040	0.000	1	122.4040	0.000	1	122.7065	3.411	86	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C){1|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	122.3620	0.000	1	122.3620	0.000	1	122.1425	0.096	2	122.7065	3.411	86	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]S){1|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|S<4>,2|C<3>,3|H<1>}	121.9230	0.000	1	121.9230	0.000	1	122.1425	0.096	2	122.7065	3.411	86	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C[6]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C[6])(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(C[6]C[6]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C[6])(N[5]C[5]C){3|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(C[6]C[6]2){1|O<1>,3|C<3>,5|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|H<1>,4|C<3>}	122.9060	0.000	1	122.9060	0.000	1	122.9060	0.000	1	122.7065	3.411	86	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){3|C<3>,3|H<1>}	121.9750	0.000	1	121.9750	0.000	1	122.8320	1.469	2	122.7065	3.411	86	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]2)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]S){4|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]2)2{1|S<4>,2|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|S<4>,3|H<1>,4|C<3>}	123.6890	0.000	1	123.6890	0.000	1	122.8320	1.469	2	122.7065	3.411	86	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(NOO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(N[5]C[5]C){1|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(NOO){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<3>,2|H<1>,3|C<3>}	118.3930	0.000	1	118.3930	0.000	1	118.3930	0.000	1	122.7065	3.411	86	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-3:	C[5,6a]-3:C[6a]-3:O-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5]Ba)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OAlBa)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5]Ba){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OAlBa){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Ba<8>,1|C<3>,1|H<1>,1|O<3>,2|C<4>}	123.9541	0.319	18	123.9541	0.101	18	124.1706	0.407	44	122.7065	3.411	86	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-3:	C[5,6a]-3:C[6a]-3:O-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5]Ba)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OBaH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5]Ba){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OBaH){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Ba<8>,1|C<3>,1|H<1>,1|O<3>,2|C<4>}	123.7518	0.477	4	123.7518	0.228	4	124.1706	0.407	44	122.7065	3.411	86	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-3:	C[5,6a]-3:C[6a]-3:O-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5]Ba)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OBaIn)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5]Ba){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OBaIn){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Ba<10>,1|C<3>,1|H<1>,1|O<3>,2|C<4>}	124.4185	0.656	10	124.4185	0.430	10	124.1706	0.407	44	122.7065	3.411	86	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-3:	C[5,6a]-3:C[6a]-3:O-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5]Ba)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OBaZn)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5]Ba){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OBaZn){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Ba<8>,1|C<3>,1|H<1>,1|O<3>,2|C<4>}	124.2532	0.305	4	124.2532	0.093	4	124.1706	0.407	44	122.7065	3.411	86	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-3:	C[5,6a]-3:C[6a]-3:O-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5]Mg)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OMg2)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5]Mg){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OMg2){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Mg<5>,1|C<3>,1|H<1>,1|O<3>,2|C<4>}	126.2450	0.000	1	125.4355	0.308	4	124.1706	0.407	44	122.7065	3.411	86	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-3:	C[5,6a]-3:C[6a]-3:O-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5]Mg)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OMg2)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5]Mg){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OMg2){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Mg<6>,1|C<3>,1|H<1>,1|O<3>,2|C<4>}	125.1657	0.158	3	125.4355	0.308	4	124.1706	0.407	44	122.7065	3.411	86	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-3:	C[5,6a]-3:C[6a]-3:O-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5]Sr)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OSrH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5]Sr){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OSrH){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Sr<8>,1|C<3>,1|H<1>,1|O<3>,2|C<4>}	123.5965	0.208	4	123.5965	0.043	4	124.1706	0.407	44	122.7065	3.411	86	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:P[5]-3:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(P[5]N[5]O)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CHN)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(P[5]N[5]O){2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CHN){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|H<1>,1|O<2>,3|C<3>}	120.0070	0.000	1	120.0070	0.000	1	120.0070	0.000	1	122.7065	3.411	86	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C){1|N<2>,2|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	122.8740	0.000	1	122.8740	0.000	1	122.8740	0.000	1	122.7065	3.411	86	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]HH)	C[5,6a](C[6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]O[5]O){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]HH){1|N<3>,1|O<1>,2|C<3>}	123.3340	0.000	1	123.3340	0.000	1	123.3340	0.000	1	122.7065	3.411	86	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[6a]C[6,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]S[6])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]C)(C[5]C[5]HH)	C[5,6a](C[6a]C[6,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]O){1|S<2>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]S[6])(C[6a]C[6a]2){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]C)(C[5]C[5]HH){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	122.0320	0.000	1	122.0320	0.000	1	122.0320	0.000	1	122.7065	3.411	86	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[5,6a]-3:C[5]-3:	C[5a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[6a]C[5a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]O[5]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(C[5]O[5]HH)	C[5,6a](C[6a]C[5a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]O[5]O){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2){1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(C[5]O[5]HH){1|N<2>,1|O<1>,2|C<3>}	124.0990	0.000	1	124.0990	0.000	1	124.0990	0.000	1	122.7065	3.411	86	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[5,6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH)	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]){4|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH){1|H<1>,4|C<3>}	120.2133	0.326	4	120.2133	0.106	4	120.2133	0.106	4	122.7065	3.411	86	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CCH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CCH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	118.7660	0.000	1	118.7660	0.000	1	118.6896	0.715	8	119.8850	2.821	39	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CCO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CCO){1|Cl<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|Cl<1>,4|C<3>}	118.8553	0.482	3	118.8553	0.232	3	118.6896	0.715	8	119.8850	2.821	39	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CHO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CHO){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	120.3320	0.000	1	120.3320	0.000	1	118.6896	0.715	8	119.8850	2.821	39	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(COO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(COO){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,4|C<3>}	117.9510	0.245	3	117.9510	0.060	3	118.6896	0.715	8	119.8850	2.821	39	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,8|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]C){2|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]2){10|C<3>,1|C<4>}	120.3022	0.234	6	120.3022	0.055	6	120.1415	0.139	8	119.8850	2.821	39	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){1|H<1>,8|C<3>}	119.6595	0.279	2	119.6595	0.078	2	120.1415	0.139	8	119.8850	2.821	39	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,4|C<3>}	120.3220	0.000	1	120.3220	0.000	1	120.3220	0.000	1	119.8850	2.821	39	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NCC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NCC){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	119.7120	1.427	2	119.3300	0.890	4	119.3300	0.890	4	119.8850	2.821	39	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NCC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NCC){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	118.9480	0.223	2	119.3300	0.890	4	119.3300	0.890	4	119.8850	2.821	39	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]N)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NCH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]N){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NCH){1|C<2>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H){1|C<2>,1|N<3>,3|C<3>}	118.2580	0.132	2	118.2580	0.017	2	116.7265	3.136	4	119.8850	2.821	39	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]N)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]N){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO){1|C<2>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H){1|C<2>,1|N<3>,3|C<3>}	115.1950	0.092	2	115.1950	0.008	2	116.7265	3.136	4	119.8850	2.821	39	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]2){1|H<1>,2|C<4>,7|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]C){1|H<1>,2|C<4>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]C){1|C<4>,8|C<3>}	120.8020	0.000	1	120.8020	0.000	1	120.8020	0.000	1	119.8850	2.821	39	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[6]H)(C[6a]C[6a,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5]){1|N<3>,3|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[6]H)(C[6a]C[6a,6a]H){2|C<4>,5|C<3>}	120.9190	0.000	1	120.9190	0.000	1	120.9190	0.000	1	119.8850	2.821	39	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC[6a]C[3])	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC[6a]C[3]){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	121.5000	0.205	2	121.5000	0.042	2	121.5000	0.042	2	119.8850	2.821	39	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5,6]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5,6]C){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	121.6050	0.429	2	121.6050	0.184	2	121.5384	0.075	9	119.8850	2.821	39	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5,6]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]Br)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5,6]C){1|Br<1>,1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]Br){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	121.5062	0.283	6	121.5062	0.080	6	121.5384	0.075	9	119.8850	2.821	39	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5,6]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5,6]C){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	121.5990	0.000	1	121.5990	0.000	1	121.5384	0.075	9	119.8850	2.821	39	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[5,6a]-3:C[5]-3:	C[5a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[6a]C[5a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5a]C[5])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[5a,6a]C)	C[5,6a](C[6a]C[5a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5a]C[5]){1|C<2>,1|S<2>,2|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2){1|C<4>,1|S<2>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[5a,6a]C){1|H<1>,1|S<2>,5|C<3>}	121.7510	0.000	1	121.7510	0.000	1	121.7510	0.000	1	119.8850	2.821	39	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]N)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NHH)	C[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]N)(C[5]N[5]O){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NHH){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	122.2237	0.248	4	122.2237	0.061	4	122.7998	1.705	5	122.7998	1.705	5	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]N)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NHH)	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]N)(C[5]O[5]O){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NHH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	125.1040	0.000	1	125.1040	0.000	1	122.7998	1.705	5	122.7998	1.705	5	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:2:3:	O[4,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a](O[4,5]In[4,5,5]In[4])(C[5,6a]C[6a]O[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]O[4,5])(C[6a]C[6a]H)(CC3)	C[5,6a](C[5,6a]O[4,5]C[6a])(O[5]In[4,5,5])(C[6a]C[6a]C)	C[5,6a](O[4,5]In[4,5,5]In[4])(C[5,6a]C[6a]O[5])(C[6a]C[6a]C){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|I<1>,3|O<3>}	C[6a](C[5,6a]C[5,6a]O[4,5])(C[6a]C[6a]H)(CC3){1|In<4>,1|In<6>,1|C<3>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]O[4,5]C[6a])(O[5]In[4,5,5])(C[6a]C[6a]C){1|In<4>,1|C<3>,1|C<4>,1|H<1>,1|O<2>,3|O<3>}	122.4790	0.000	1	122.4790	0.000	1	122.4790	0.000	1	122.4790	0.000	1	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]C){1|O<2>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5,5]){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	120.9740	0.000	1	120.9740	0.000	1	120.7065	0.107	4	120.7213	0.785	27	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]C){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(CH3){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|O<1>,2|C<3>,3|C<4>}	121.0050	0.000	1	121.0050	0.000	1	120.7065	0.107	4	120.7213	0.785	27	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]C){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5,5]){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	120.4490	0.000	1	120.4235	0.001	2	120.7065	0.107	4	120.7213	0.785	27	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]C){1|C<3>,1|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5,5]){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	120.3980	0.000	1	120.4235	0.001	2	120.7065	0.107	4	120.7213	0.785	27	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]N){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>,2|N<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|N<2>,1|N<3>,2|C<4>}	119.6810	0.000	1	119.6810	0.000	1	119.6810	0.000	1	120.7213	0.785	27	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]C)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]C)(C[5]C[5]O){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|Cl<1>,1|O<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]){1|Cl<1>,1|C<4>,1|O<1>,2|C<3>}	121.0880	0.112	2	121.0880	0.012	2	121.0880	0.012	2	120.7213	0.785	27	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(N[5]C[5]Al)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(N[5]C[5]Al){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){1|Al<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Al<4>,1|C<4>,1|H<1>,2|C<3>}	120.2540	0.048	2	120.2540	0.002	2	120.6053	0.101	13	120.7213	0.785	27	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(N[5]C[5]Mg)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(N[5]C[5]Mg){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){1|Mg<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Mg<4>,1|C<4>,1|H<1>,2|C<3>}	120.6692	0.302	11	120.6692	0.091	11	120.6053	0.101	13	120.7213	0.785	27	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]C)(N[5]C[5]Al)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]C)(N[5]C[5]Al){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){1|Al<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Al<4>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	118.8690	0.006	2	118.8690	0.000	2	120.2910	6.066	3	120.7213	0.785	27	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]C)(N[5]C[5]Os)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(COs3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]C)(N[5]C[5]Os){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(COs3){1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Os<6>,1|C<3>,1|H<1>,2|C<4>}	123.1350	0.000	1	123.1350	0.000	1	120.2910	6.066	3	120.7213	0.785	27	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(N[5,5]C[5,5]C[5])(C[6a]C[6,6a]C)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6,6a]C[6,6a]O[6])(CH3)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6,6a]C)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(N[5,5]C[5,5]C[5])(C[6a]C[6,6a]C){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6,6a]C[6,6a]O[6])(CH3){1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6,6a]C)(O[5]C[5,5]){1|C<3>,1|H<1>,4|C<4>}	121.4610	0.000	1	121.4610	0.000	1	121.4610	0.000	1	120.7213	0.785	27	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:O[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(O[5]Ga[5,5]Pd)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CHHP)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]Ga[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(O[5]Ga[5,5]Pd)(C[6a]C[6a]C){1|Cl<1>,1|C<3>,1|O<2>,1|O<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CHHP){1|Ga<6>,1|Pd<5>,1|C<3>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]Ga[5,5]){1|Cl<1>,1|Pd<5>,1|C<3>,1|C<4>,1|H<1>,1|O<2>,1|O<3>}	122.1225	0.199	2	122.1225	0.039	2	122.1225	0.039	2	120.7213	0.785	27	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](N[5,6]C[5,6]Ga[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](N[5,6]C[5,6]Ga[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]C){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(CH3){1|Ga<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|Ga<4>,1|C<4>,1|H<1>,2|C<3>}	120.3450	0.000	1	120.3450	0.000	1	120.3450	0.000	1	120.7213	0.785	27	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]C){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){2|C<3>,2|C<4>,2|H<1>}	120.5290	0.000	1	120.5290	0.000	1	120.5290	0.000	1	121.9366	6.687	105	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(CH3)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]C)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]C){2|C<4>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(CH3){1|N<3>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]C){2|C<4>,5|C<3>}	121.2705	0.177	2	121.2705	0.032	2	121.2705	0.032	2	121.9366	6.687	105	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(CH3)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){2|C<4>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(CH3){7|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){2|C<4>,5|C<3>}	120.1258	0.691	4	120.1258	0.478	4	120.3875	0.626	23	121.9366	6.687	105	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(CH3)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|C<2>,2|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(CH3){1|C<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|C<2>,2|C<4>,4|C<3>}	120.3510	0.658	2	120.6059	0.382	13	120.3875	0.626	23	121.9366	6.687	105	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(CH3)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){3|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(CH3){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){3|C<4>,4|C<3>}	120.7750	0.654	8	120.6059	0.382	13	120.3875	0.626	23	121.9366	6.687	105	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(CH3)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){3|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(CH3){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|H<1>,2|C<4>,4|C<3>}	120.6305	0.098	2	120.6059	0.382	13	120.3875	0.626	23	121.9366	6.687	105	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(CH3)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){3|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(CH3){1|S<6>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|S<6>,2|C<4>,4|C<3>}	119.7140	0.000	1	120.6059	0.382	13	120.3875	0.626	23	121.9366	6.687	105	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CCHH)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CCHH){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|H<1>,2|C<4>,4|C<3>}	120.7370	0.000	1	120.7370	0.000	1	120.3875	0.626	23	121.9366	6.687	105	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CH3){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){3|C<4>,4|C<3>}	120.5100	0.610	2	120.1207	0.641	3	120.3875	0.626	23	121.9366	6.687	105	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|H<1>,2|C<4>,4|C<3>}	119.3420	0.000	1	120.1207	0.641	3	120.3875	0.626	23	121.9366	6.687	105	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	118.2420	0.000	1	118.2420	0.000	1	120.3875	0.626	23	121.9366	6.687	105	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]S)(CH3)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|S<6>,2|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]S)(CH3){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){3|C<4>,4|C<3>}	121.1920	0.000	1	121.1920	0.000	1	120.3875	0.626	23	121.9366	6.687	105	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CH3){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){2|C<4>,3|C<3>}	119.4120	0.000	1	119.4120	0.000	1	119.5760	0.054	2	121.9366	6.687	105	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	119.7400	0.000	1	119.7400	0.000	1	119.5760	0.054	2	121.9366	6.687	105	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(CCHH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C)(C[5]C[5,6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]C){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(CCHH){7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C)(C[5]C[5,6a]C){1|C<4>,4|C<3>}	120.8820	0.000	1	120.8820	0.000	1	120.8820	0.000	1	121.9366	6.687	105	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CC[6a]2O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]C){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CC[6a]2O){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	118.9230	0.117	4	118.9230	0.014	4	118.9230	0.014	4	121.9366	6.687	105	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]O)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(CCHH)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]O)(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(CCHH){1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5]){1|C<4>,1|O<1>,7|C<3>}	122.9240	0.406	6	122.9240	0.165	6	122.9240	0.165	6	121.9366	6.687	105	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]Ru)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]C){1|Ru<5>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]Ru){1|C<4>,2|C<3>,2|H<1>}	122.4120	0.000	1	122.4120	0.000	1	122.4120	0.000	1	121.9366	6.687	105	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:Si-4:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a]2)(C[5]C[5,6a]O)(C[6a]C[6a]Si)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C)(SiC3)	C[5,6a](C[5,6a]C[5,6a]C[3,5])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[5,6a]2)(C[5]C[5,6a]O)(C[6a]C[6a]Si){2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C)(SiC3){1|C<4>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[3,5])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5]){1|Si<4>,1|H<1>,1|O<1>,3|C<4>,4|C<3>}	124.4800	0.000	1	124.4800	0.000	1	124.3520	0.033	2	121.9366	6.687	105	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:Si-4:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a]2)(C[5]C[5,6a]O)(C[6a]C[6a]Si)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C)(SiC3)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[5,6a]2)(C[5]C[5,6a]O)(C[6a]C[6a]Si){1|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C)(SiC3){1|C<4>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5]){1|Si<4>,1|H<1>,2|C<4>,2|O<1>,3|C<3>}	124.2240	0.000	1	124.2240	0.000	1	124.3520	0.033	2	121.9366	6.687	105	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:Si-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]Si)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(SiC[6a]2C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]Si){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(SiC[6a]2C){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Si<4>,2|H<1>,4|C<3>}	120.9275	0.009	2	120.9275	0.000	2	120.9275	0.000	2	121.9366	6.687	105	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(C[5]N[5]O){1|C<4>,1|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(CH3){1|N<3>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(C[5]N[5]O){1|C<4>,1|O<1>,3|C<3>}	123.3100	0.127	2	123.3100	0.016	2	123.3100	0.016	2	121.9366	6.687	105	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5a,6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C)(C[5]C[5,6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(CCHH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C)(C[5]C[5,6a]C){1|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(CCHH){7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]C){1|C<4>,1|H<1>,5|C<3>}	123.7020	0.000	1	123.7020	0.000	1	123.7020	0.000	1	121.9366	6.687	105	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CHHN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CHHN){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	120.5440	0.132	5	120.5440	0.017	5	121.2795	1.491	11	121.9366	6.687	105	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]P)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]H){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]P){1|C<3>,1|C<4>,3|H<1>}	121.4280	0.000	1	121.4280	0.000	1	121.2795	1.491	11	121.9366	6.687	105	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]P)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]P){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]H){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	119.2200	0.000	1	119.2200	0.000	1	121.2795	1.491	11	121.9366	6.687	105	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O){1|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3){1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O){1|C<4>,1|O<1>,3|C<3>}	122.6637	0.181	3	122.6637	0.033	3	121.2795	1.491	11	121.9366	6.687	105	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]O){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	122.7150	0.000	1	122.7150	0.000	1	121.2795	1.491	11	121.9366	6.687	105	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]N){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>}	121.8370	0.170	2	121.8370	0.029	2	121.8370	0.029	2	121.9366	6.687	105	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5a,6a]-3:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]C)(C[5]N[5]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]C)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(CCHH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(C[5]N[5]O){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	124.4900	0.000	1	124.4900	0.000	1	124.4900	0.000	1	121.9366	6.687	105	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:Ge[5]-3:	C[5,6a]-3:C[6a]-3:S-4:	C[5,6a]-3:S[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]S)(Ge[5]O[5]Cl)	C[6a](C[5,6a]C[5,6a]Ge[5])(C[6a]C[6a]H)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]Ge[5])(S[5]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]S)(Ge[5]O[5]Cl){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]Ge[5])(C[6a]C[6a]H)(SC[6a]OO){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,1|S<3>}	C[5,6a](C[5,6a]C[6a]Ge[5])(S[5]C[6a]O[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|S<4>,3|C<3>}	113.4820	0.000	1	113.4820	0.000	1	113.4820	0.000	1	121.9366	6.687	105	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:I[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(I[5]O[5]O)	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]I[5])(C[5]N[5]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(I[5]O[5]O){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]I[5])(C[5]N[5]O[5])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	124.5170	0.000	1	124.5170	0.000	1	124.5170	0.000	1	121.9366	6.687	105	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]N){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	122.1035	0.190	2	122.1035	0.036	2	122.0244	0.826	9	121.9366	6.687	105	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CF3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CF3){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	120.1190	0.000	1	120.1190	0.000	1	122.0244	0.826	9	121.9366	6.687	105	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	121.9650	0.548	4	122.1454	0.388	5	122.0244	0.826	9	121.9366	6.687	105	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	122.8670	0.000	1	122.1454	0.388	5	122.0244	0.826	9	121.9366	6.687	105	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]N[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]N[5]H){1|B<4>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|B<4>,1|C<3>,1|H<1>,2|C<4>}	123.1670	0.000	1	123.1670	0.000	1	122.0244	0.826	9	121.9366	6.687	105	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(CHHN)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|S<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(CHHN){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|H<1>,1|S<1>,2|C<4>}	123.8550	0.000	1	123.8550	0.000	1	123.8550	0.000	1	121.9366	6.687	105	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:P-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]P)(N[5]C[5]Cu)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(PC[6a]2Cu)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]P)(N[5]C[5]Cu){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(PC[6a]2Cu){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Cu<4>,1|H<1>,1|P<4>,4|C<3>}	122.1365	0.019	2	122.1365	0.000	2	122.1365	0.000	2	121.9366	6.687	105	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:B[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]B[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(CCCH)	C[5,6a](C[5,6a]N[5,5]C[6a])(B[5]C[5,5]N)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]B[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]C){1|C<3>,1|N<3>,2|H<1>,5|C<4>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]N[5,5]C[6a])(B[5]C[5,5]N)(C[6a]C[6a]H){1|C<3>,1|H<1>,4|C<4>}	121.1350	0.000	1	121.1350	0.000	1	121.1350	0.000	1	121.9366	6.687	105	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5]C[5,6]Zr)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CHHP)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5]C[5,6]Zr)(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CHHP){1|Zr<12>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Zr<12>,1|H<1>,2|C<3>,3|C<4>}	119.1140	0.000	1	119.8628	0.594	5	119.8628	0.594	5	121.9366	6.687	105	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5]C[5,6]Zr)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CHHP)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5]C[5,6]Zr)(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CHHP){1|Zr<9>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Zr<9>,1|H<1>,2|C<3>,3|C<4>}	120.4535	0.105	2	119.8628	0.594	5	119.8628	0.594	5	121.9366	6.687	105	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5]C[5,6]Zr)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CHHP)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5]C[5,6]Zr)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CHHP){1|Zr<8>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Zr<8>,1|H<1>,2|C<4>,3|C<3>}	120.3580	0.000	1	119.8628	0.594	5	119.8628	0.594	5	121.9366	6.687	105	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5]C[5,6]Zr)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CHHP)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5]C[5,6]Zr)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CHHP){1|Zr<9>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Zr<9>,1|H<1>,2|C<4>,3|C<3>}	118.9350	0.000	1	119.8628	0.594	5	119.8628	0.594	5	121.9366	6.687	105	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:O[4,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(O[4,5]In[4,5]2)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]O[4,5])(C[6a]C[6a]H)(CC3)	C[5,6a](C[5,6a]O[4,5]C[6a])(N[5]In[4,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(O[4,5]In[4,5]2)(C[6a]C[6a]C){1|N<3>,1|O<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[4,5])(C[6a]C[6a]H)(CC3){2|In<4>,1|C<3>,1|C<4>,1|N<3>}	C[5,6a](C[5,6a]O[4,5]C[6a])(N[5]In[4,5]C[6a])(C[6a]C[6a]H){1|In<4>,1|O<3>,3|C<3>,3|C<4>}	121.7780	0.389	2	121.7780	0.151	2	121.7780	0.151	2	121.9366	6.687	105	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:O[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:P-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6a]Os)(C[6a]C[6a]P)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(POsCC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6a]Os)(C[6a]C[6a]P){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(POsCC){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|Os<6>,1|P<4>,2|H<1>,3|C<3>}	129.8825	0.666	4	129.8283	0.323	6	129.8283	0.323	6	121.9366	6.687	105	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:O[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:P-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6a]Os)(C[6a]C[6a]P)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(POsCC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6a]Os)(C[6a]C[6a]P){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(POsCC){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|Os<8>,1|P<4>,2|H<1>,3|C<3>}	129.7200	0.499	2	129.8283	0.323	6	129.8283	0.323	6	121.9366	6.687	105	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:P[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	120.6890	0.006	2	120.6890	0.000	2	120.6890	0.000	2	121.9366	6.687	105	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:S[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]Pr)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CHHP)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]Pr)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CHHP){1|Pr<15>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Pr<15>,1|C<4>,2|H<1>,3|C<3>}	122.2075	0.246	4	122.2075	0.061	4	123.1330	0.724	14	121.9366	6.687	105	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:S[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]Ru)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]Ru)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CH3){1|Ru<8>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Ru<8>,1|C<4>,2|H<1>,3|C<3>}	123.5032	0.702	10	123.5032	0.493	10	123.1330	0.724	14	121.9366	6.687	105	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:B[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]B[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]B[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]B[5])(C[6a]C[6a]C){4|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(CH3){1|B<4>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]B[5]HH){1|H<1>,2|C<4>,3|C<3>}	117.8370	0.000	1	117.8370	0.000	1	118.6250	1.242	2	121.3621	2.077	60	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:B[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]C[5])(C[6a]C[6a]C){4|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,2|C<4>,3|C<3>}	119.4130	0.000	1	119.4130	0.000	1	118.6250	1.242	2	121.3621	2.077	60	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:Si[5]-4:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]O)(CCHH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(Si[5]C[5,6a]CC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]C){1|C<2>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]O)(CCHH){1|Si<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(Si[5]C[5,6a]CC){1|C<4>,6|C<3>}	119.6020	0.000	1	119.6020	0.000	1	119.6020	0.000	1	121.3621	2.077	60	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(CH3)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]C){4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(CH3){1|C<4>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH){1|C<4>,1|H<1>,5|C<3>}	120.8570	0.286	2	120.8570	0.082	2	120.8570	0.082	2	121.3621	2.077	60	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]C){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|H<1>,2|C<3>,2|C<4>}	120.5930	0.000	1	120.5930	0.000	1	120.5930	0.000	1	121.3621	2.077	60	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:B[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(B[5]O[5]O)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(CCHH)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(B[5]O[5]O){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(CCHH){1|C<3>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,1|O<2>,2|C<4>}	119.9670	0.000	1	119.9670	0.000	1	119.9670	0.000	1	121.3621	2.077	60	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[4,6a]-3:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[4,6a]C)(C[5]O[5]O)	C[6a](C[4,6a]C[4,6,6]C[4,6a])(C[5,6a]C[5,6a]C[5])(CCCO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[4,6a]H)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[4,6a]C)(C[5]O[5]O){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[4,6a]C[4,6,6]C[4,6a])(C[5,6a]C[5,6a]C[5])(CCCO){1|C<3>,1|O<1>,2|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[4,6a]H)(C[5]O[5]HH){1|C<3>,1|O<1>,2|C<4>}	123.7790	0.000	1	123.7790	0.000	1	123.7790	0.000	1	121.3621	2.077	60	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])2(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(C[5]C[5]SiH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(C[5]C[5]H){1|Si<4>,1|C<3>,1|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])2(CH3){1|Si<4>,1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(C[5]C[5]SiH){1|H<1>,2|C<3>,2|C<4>}	122.7270	0.000	1	122.7270	0.000	1	122.7270	0.000	1	121.3621	2.077	60	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]2){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>,2|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHH){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]CO){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	119.7480	0.158	2	119.7480	0.025	2	120.9411	1.209	22	121.3621	2.077	60	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]2){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){2|C<3>,2|C<4>,2|H<1>}	120.2358	0.500	6	120.2358	0.250	6	120.9411	1.209	22	121.3621	2.077	60	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]2){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){2|C<3>,2|C<4>,2|H<1>}	120.7245	0.378	2	120.7245	0.143	2	120.9411	1.209	22	121.3621	2.077	60	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]2){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CH3){1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.1250	0.000	1	120.1250	0.000	1	120.9411	1.209	22	121.3621	2.077	60	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CC[6a]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]C){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CC[6a]HO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]CH){1|C<3>,1|H<1>,3|C<4>}	120.7255	0.525	2	120.7255	0.276	2	120.9411	1.209	22	121.3621	2.077	60	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]H){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]2H){2|C<4>,3|C<3>,3|H<1>}	121.9510	0.337	2	121.9510	0.113	2	120.9411	1.209	22	121.3621	2.077	60	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]O){1|C<3>,1|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	122.1095	0.750	2	122.1095	0.563	2	120.9411	1.209	22	121.3621	2.077	60	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]P)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]P){1|C<3>,1|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,1|P<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,1|C<4>,1|P<3>,2|H<1>}	119.7130	0.000	1	119.7130	0.000	1	120.9411	1.209	22	121.3621	2.077	60	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O){1|C<3>,1|S<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|S<4>}	122.4020	0.000	1	121.6905	1.012	2	120.9411	1.209	22	121.3621	2.077	60	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O){2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|O<1>,2|C<3>,2|C<4>}	120.9790	0.000	1	121.6905	1.012	2	120.9411	1.209	22	121.3621	2.077	60	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]O){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH){1|C<3>,1|O<1>,2|C<4>}	122.0110	0.000	1	122.0110	0.000	1	120.9411	1.209	22	121.3621	2.077	60	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]O){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	123.5430	0.000	1	123.5430	0.000	1	120.9411	1.209	22	121.3621	2.077	60	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:P-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]P)(C[5]O[5]Ir)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(PC[6a]2Ir)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]P)(C[5]O[5]Ir){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(PC[6a]2Ir){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|Ir<4>,1|C<3>,1|H<1>,1|P<4>}	124.9610	0.000	1	124.9610	0.000	1	124.9610	0.000	1	121.3621	2.077	60	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]C)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]C)(C[5]O[5]O){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(CH3){1|C<3>,1|C<4>,1|O<2>,2|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH){1|C<4>,1|N<3>,2|O<1>}	121.5550	0.000	1	121.5550	0.000	1	121.5550	0.000	1	121.3621	2.077	60	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C){1|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	122.5090	0.000	1	122.5090	0.000	1	122.1824	0.855	16	121.3621	2.077	60	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Br<1>,1|C<3>,1|O<1>,2|C<4>}	120.8640	0.000	1	121.2590	0.312	2	122.1824	0.855	16	121.3621	2.077	60	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	121.6540	0.000	1	121.2590	0.312	2	122.1824	0.855	16	121.3621	2.077	60	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C){1|C<3>,1|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,2|C<4>,2|H<1>}	122.0428	0.352	10	122.0051	0.127	11	122.1824	0.855	16	121.3621	2.077	60	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C){1|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|C<4>,3|H<1>}	121.6280	0.000	1	122.0051	0.127	11	122.1824	0.855	16	121.3621	2.077	60	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CC){1|C<4>,2|C<3>,2|H<1>}	125.1560	0.000	1	125.1560	0.000	1	122.1824	0.855	16	121.3621	2.077	60	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]S){1|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	122.6790	0.000	1	122.6790	0.000	1	122.1824	0.855	16	121.3621	2.077	60	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-3:	C[5,6a]-3:C[6a]-3:O-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5]Mg)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OMg3)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5]Mg){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OMg3){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Mg<5>,1|C<3>,1|H<1>,1|O<4>,2|C<4>}	124.7320	0.000	1	124.7320	0.000	1	124.7320	0.000	1	121.3621	2.077	60	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC[6a]CH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5a]C[5])(C[6a]C[6a]C){1|C<3>,1|N<2>,1|N<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC[6a]CH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	121.3190	0.000	1	121.3190	0.000	1	121.3906	0.626	8	121.3621	2.077	60	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C){1|N<2>,2|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	120.9080	0.327	2	120.9080	0.107	2	121.3906	0.626	8	121.3621	2.077	60	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C){3|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCHH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	120.9190	0.000	1	120.9190	0.000	1	121.3906	0.626	8	121.3621	2.077	60	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC[6a]CH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C){1|C<3>,2|N<2>,6|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC[6a]CH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	122.7660	0.000	1	122.7660	0.000	1	121.3906	0.626	8	121.3621	2.077	60	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC[6a]HN)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C){3|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC[6a]HN){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	120.3770	0.000	1	120.3770	0.000	1	121.3906	0.626	8	121.3621	2.077	60	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C){1|C<3>,1|C<4>,2|N<2>,5|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,2|C<4>,2|H<1>}	121.9640	0.085	2	121.9640	0.007	2	121.3906	0.626	8	121.3621	2.077	60	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:S-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]S){1|C<3>,2|N<2>,6|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(SC[6a]OO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|S<4>,2|C<3>,3|H<1>}	119.0495	0.262	2	119.0495	0.069	2	119.0495	0.069	2	121.3621	2.077	60	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(CH3)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]SnC)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|Sn<4>,3|C<3>,4|C<4>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(CH3){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]SnC)(C[6a]C[6a]C){2|C<4>,3|C<3>}	119.8925	0.156	2	119.8925	0.024	2	119.9799	1.691	11	121.3639	2.490	34	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CCHH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CCHH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	118.6660	0.000	1	118.6660	0.000	1	119.9799	1.691	11	121.3639	2.490	34	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CCHO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CCHO){1|Cl<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,3|C<3>}	119.9760	0.000	1	119.9760	0.000	1	119.9799	1.691	11	121.3639	2.490	34	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CC[6]HH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CC[6]HH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	118.7060	0.000	1	118.7060	0.000	1	119.9799	1.691	11	121.3639	2.490	34	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|O<2>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	120.4690	0.000	1	120.4690	0.000	1	119.9799	1.691	11	121.3639	2.490	34	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(CH3)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,1|H<1>,7|C<3>}	122.4360	0.000	1	122.4360	0.000	1	119.9799	1.691	11	121.3639	2.490	34	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	118.6240	0.000	1	118.6240	0.000	1	119.9799	1.691	11	121.3639	2.490	34	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	120.3480	0.000	1	120.3480	0.000	1	119.9799	1.691	11	121.3639	2.490	34	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){2|C<4>,3|C<3>}	118.8110	0.000	1	118.8110	0.000	1	119.9799	1.691	11	121.3639	2.490	34	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]N[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]N[5,6a]CO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]N[5,6a]CO)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	121.9580	0.000	1	121.9580	0.000	1	119.9799	1.691	11	121.3639	2.490	34	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]C){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|O<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>}	121.8310	0.000	1	121.8310	0.000	1	121.8310	0.000	1	121.3639	2.490	34	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]AlSi)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]C){1|Al<5>,1|Si<5>,1|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3){2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]AlSi)(C[6a]C[6a]C){1|C<3>,4|C<4>}	120.9910	0.366	2	120.9910	0.134	2	121.0090	0.882	7	121.3639	2.490	34	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]SiH)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]C){1|Si<4>,1|C<3>,1|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3){2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]SiH)(C[6a]C[6a]C){1|C<3>,4|C<4>}	120.2170	0.337	3	120.2170	0.114	3	121.0090	0.882	7	121.3639	2.490	34	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C){1|H<1>,3|C<3>,3|C<4>}	121.9510	0.000	1	121.9510	0.000	1	121.0090	0.882	7	121.3639	2.490	34	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]O){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3){1|C<3>,1|O<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	122.4790	0.000	1	122.4790	0.000	1	121.0090	0.882	7	121.3639	2.490	34	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]C)(C[5]O[5]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a,6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]C)(C[5]O[5]O){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a,6a]H){1|C<4>,1|O<1>,4|C<3>}	123.0560	0.000	1	123.0560	0.000	1	123.0560	0.000	1	121.3639	2.490	34	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCHH){1|C<4>,1|H<1>,1|I<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,1|I<1>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	123.1640	0.000	1	123.1640	0.000	1	123.1640	0.000	1	121.3639	2.490	34	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5,6]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5,6]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CH)(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	121.6275	0.962	2	122.2043	0.444	6	122.5493	0.901	9	121.3639	2.490	34	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5,6]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5,6]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCHH){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	122.3240	0.396	2	122.2043	0.444	6	122.5493	0.901	9	121.3639	2.490	34	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5,6]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5,6]H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CH)(C[6a]C[6a]H){1|H<1>,2|C<3>,3|C<4>}	122.5460	0.000	1	122.2043	0.444	6	122.5493	0.901	9	121.3639	2.490	34	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5,6]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5,6]H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCHH){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CH)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	122.7770	0.000	1	122.2043	0.444	6	122.5493	0.901	9	121.3639	2.490	34	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]PdC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C){1|Pd<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]PdC)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	124.1810	0.000	1	124.1810	0.000	1	122.5493	0.901	9	121.3639	2.490	34	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	121.8990	0.000	1	121.8990	0.000	1	122.5493	0.901	9	121.3639	2.490	34	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	123.6380	0.000	1	123.6380	0.000	1	122.5493	0.901	9	121.3639	2.490	34	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(CCCH)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]C){1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	123.7150	0.000	1	123.5800	0.036	2	123.5800	0.036	2	121.3639	2.490	34	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(CCCH)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]C){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	123.4450	0.000	1	123.5800	0.036	2	123.5800	0.036	2	121.3639	2.490	34	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	N[3,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](N[3,5]Si[3,5]C[3,5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]N[3,5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]N[3,5]C[6a])(C[5]C[3,5]HH)(C[6a]C[6a]H)	C[5,6a](N[3,5]Si[3,5]C[3,5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|Si<4>,1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[3,5])(C[6a]C[6a]H)(CH3){1|Si<4>,1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]N[3,5]C[6a])(C[5]C[3,5]HH)(C[6a]C[6a]H){2|Si<4>,1|C<3>,1|C<4>,1|H<1>}	120.6880	1.034	2	120.6880	1.069	2	120.6880	1.069	2	121.3639	2.490	34	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|C<4>,2|H<1>,6|C<3>}	120.8150	0.000	1	120.8150	0.000	1	120.8150	0.000	1	121.6424	1.379	15	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]C){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	121.9255	0.183	2	121.9255	0.034	2	121.9255	0.034	2	121.6424	1.379	15	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(N[5]C[5,5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(N[5]C[5,5]S){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|N<3>,1|S<4>,2|C<4>}	C[5,6a](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|S<4>,2|C<4>,3|C<3>}	122.5130	0.000	1	122.5130	0.000	1	122.7475	1.360	4	121.6424	1.379	15	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CF3)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(N[5]C[5]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CF3){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	121.3750	0.000	1	121.3750	0.000	1	122.7475	1.360	4	121.6424	1.379	15	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,1|S<2>,2|C<3>,5|C<4>}	123.5510	0.922	2	123.5510	0.850	2	122.7475	1.360	4	121.6424	1.379	15	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C)(N[5]C[5,6]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C)(N[5]C[5,6]C){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>,4|C<4>}	121.2380	0.322	2	121.2380	0.104	2	121.6315	0.138	6	121.6424	1.379	15	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6]N[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	C[5,6a](C[5,6]N[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,4|C<3>,4|C<4>}	121.8282	0.200	4	121.8282	0.040	4	121.6315	0.138	6	121.6424	1.379	15	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:P-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]P)(N[5]C[5,6]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(PC[6a]2S)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]P)(N[5]C[5,6]C){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(PC[6a]2S){2|C<3>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|P<4>,3|C<4>}	120.0350	0.000	1	120.0350	0.000	1	120.0350	0.000	1	121.6424	1.379	15	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5]C[4,5]Si)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5]C[4,5]Si)(C[6a]C[6a]C){1|C<3>,2|C<6>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){1|Si<4>,1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|C<4>,1|C<6>,2|H<1>,4|B<6>}	119.1560	0.000	1	119.1560	0.000	1	119.1560	0.000	1	121.6424	1.379	15	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:4:2:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]C[5])(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[5]C[5]2Fe)(N[6a]N[6a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]C[5])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]C[5])(C[5]C[5]O){1|Fe<10>,1|H<1>,1|N<2>,1|O<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5]C[5]2Fe)(N[6a]N[6a]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]C[5])(C[5]C[5]O){1|Fe<10>,1|H<1>,1|N<2>,1|O<1>,4|C<4>}	118.8480	0.280	2	118.8480	0.078	2	118.8480	0.078	2	119.1500	0.313	3	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:4:2:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:O[6a]-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]O[6a]C[5])(C[5]C[5,6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[5]C[5]2H)(O[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]O[6a]C[5])(C[5]C[5,6a]O){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5]C[5]2H)(O[6a]C[6a]){2|C<4>,2|O<1>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	119.7540	0.000	1	119.7540	0.000	1	119.7540	0.000	1	119.1500	0.313	3	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[3]-4:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C[3])	C[6a](C[5,6a]C[5,6a]2)(C[3]C[3]O[3]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C[3]){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]2)(C[3]C[3]O[3]H)(C[6a]C[6a]H){1|Cl<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,3|C<3>}	119.9040	0.000	1	119.9040	0.000	1	119.9040	0.000	1	120.2970	0.309	2	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C[5])(C[5]C[5,6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[5]C[5,6a]2O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C[5])(C[5]C[5,6a]O){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5]C[5,6a]2O)(C[6a]C[6a]H){1|H<1>,1|O<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	120.6900	0.000	1	120.6900	0.000	1	120.6900	0.000	1	120.2970	0.309	2	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C[5])(N[5]C[5]Pd)	C[6a](C[5,6a]C[5,6a]N[5])(C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C[5])(N[5]C[5]Pd){1|C<4>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[5]C[5,6a]C[5]C)(C[6a]C[6a]H){1|Pd<4>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H){1|Pd<4>,1|C<3>,1|H<1>,1|O<1>,3|C<4>}	120.5773	0.780	3	120.5773	0.609	3	120.5773	0.609	3	120.5773	0.609	3	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[3,5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[3,5,5]C[6a])	C[6a](C[3,5,5]C[3,5,5]2C[5,5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[3,5,5]C[6a]){1|O<2>,2|H<1>,3|C<3>,5|C<4>}	C[6a](C[3,5,5]C[3,5,5]2C[5,5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>,7|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]O){1|H<1>,3|C<3>,7|C<4>}	122.9980	0.000	1	122.9980	0.000	1	122.9980	0.000	1	122.9980	0.000	1	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:3:	5:3:3:	3:4:3:	C[6a]-3:C[5,6a]-3:C[5,6a]-3:	C[3x3,4,3x5,14x6]-5:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5]){2|C<4>,3|C<3>,3|H<1>,4|B<6>}	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|C<4>,1|C<5>,3|C<3>,5|B<6>,5|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|C<5>,1|H<1>,3|C<3>}	116.2350	0.000	1	116.2350	0.000	1	116.2350	0.000	1	116.2350	0.000	1	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:2:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:O[6a]-2:O-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]O[6a]O)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]O[6a]O)(C[5]C[5]HH){1|Br<1>,1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a])(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	120.4472	0.753	6	120.4472	0.568	6	120.4472	0.568	6	120.9615	1.321	8	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:2:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:O[6a]-2:O-1:	C[6a,6a]-3:C[5,6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]O[6a]O)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a,6a])(O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5])	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]O[6a]O)(C[5]C[5]CC){3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a,6a])(O){1|C<4>,1|N<2>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	122.6810	0.000	1	122.6810	0.000	1	122.6810	0.000	1	120.9615	1.321	8	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:2:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:O[6a]-2:O-1:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]O[6a]O)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a,6a])(O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5])	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]O[6a]O)(C[5]C[5]HH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a,6a])(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5]){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	122.3280	0.000	1	122.3280	0.000	1	122.3280	0.000	1	120.9615	1.321	8	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:2:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:N[6a]-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]H)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]H)(C[5]O[5]HH){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]N){1|C<4>,1|N<2>,3|H<1>}	118.5400	0.000	1	118.5400	0.000	1	118.5400	0.000	1	118.2880	0.127	2	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:2:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:N[6a]-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]N[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]N[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|N<2>,1|O<1>,3|H<1>}	118.0360	0.000	1	118.0360	0.000	1	118.0360	0.000	1	118.2880	0.127	2	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:2:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:N[6a]-2:Br-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]Br)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(Br)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]Br)(C[5]C[5]HH){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(Br){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|Br<1>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	116.5140	0.000	1	116.5140	0.000	1	116.5140	0.000	1	119.5243	8.480	3	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:2:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:N[6a]-2:H-1:	N[5a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]N[5a,6a]C[5])(C[6a]N[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[5a,6a])(H)	C[5,6a](N[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	C[5,6a](C[5,6a]N[5a,6a]C[5])(C[6a]N[6a]H)(C[5]C[5]HH){1|C<3>,1|N<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[5a,6a])(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](N[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|N<2>,2|C<3>,5|H<1>}	119.7320	0.000	1	119.7320	0.000	1	119.7320	0.000	1	119.5243	8.480	3	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:2:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:O[6a]-2:O-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]O[6a]O)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a,6a])(O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]O[6a]O)(C[5]C[5]HH){2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a,6a])(O){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|O<1>,1|O<2>,2|C<3>,5|H<1>}	122.3270	0.000	1	122.3270	0.000	1	122.3270	0.000	1	119.5243	8.480	3	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:2:1:	3:4:2:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:N[6a]-2:H-1:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]N[6a]H)(S[5]O[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])(N[6a]C[6a])(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]O[5]CC)(N[6a]C[6a])	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]N[6a]H)(S[5]O[5]OO){1|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]S[5])(N[6a]C[6a])(H){1|C<4>,1|O<2>,2|N<2>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]O[5]CC)(N[6a]C[6a]){1|H<1>,2|N<2>,2|O<1>}	118.1670	0.000	1	118.1670	0.000	1	118.1670	0.000	1	118.1670	0.000	1	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:2:2:	3:4:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:N[6a]-2:O-2:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]N[6a]O)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HH)(N[6a]C[6a])	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]N[6a]O)(C[5]C[5]HH){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(OC){1|N<2>,1|S<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HH)(N[6a]C[6a]){1|N<2>,1|O<2>,1|S<2>,4|H<1>}	115.7875	0.217	2	115.7875	0.047	2	115.7875	0.047	2	115.7875	0.047	2	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:2:3:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]N[6a])(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5])	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]N[6a])(C[5]C[5]HH){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5]){1|N<2>,3|C<3>,5|H<1>}	118.4110	0.000	1	118.4110	0.000	1	118.4110	0.000	1	118.4110	0.000	1	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:2:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(C[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(C[5]N[5]HH){1|O<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|N<3>,4|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|Cl<1>,1|N<2>,2|H<1>,4|C<3>}	121.8950	0.000	1	121.8950	0.000	1	120.7097	1.733	3	120.7097	1.733	3	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:2:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(C[5]N[5]HO)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(C[5]N[5]HO){1|O<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|N<3>,1|O<2>,3|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|N<2>,1|O<2>,2|H<1>,4|C<3>}	120.9410	0.000	1	120.9410	0.000	1	120.7097	1.733	3	120.7097	1.733	3	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:2:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(C[5]O[5]HH){1|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|O<2>,4|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]O[5]O){1|N<2>,3|C<3>,3|H<1>}	119.2930	0.000	1	119.2930	0.000	1	120.7097	1.733	3	120.7097	1.733	3	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:2:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:N[6a]-2:C-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]N[6a]C)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(COO)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]N[6a]C)(C[5]C[5]CH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(COO){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	118.4870	0.000	1	118.4870	0.000	1	118.3210	0.055	2	118.0270	0.287	3	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:2:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:N[6a]-2:C-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(COO)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(COO){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|N<2>,4|C<3>,4|H<1>}	118.1550	0.000	1	118.1550	0.000	1	118.3210	0.055	2	118.0270	0.287	3	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:2:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:N[6a]-2:N-3:	C[5,6a]-3:N[6a]-3:C[5]-4:	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]N[6a]N)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(NHH)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a]C[5])(C[5]C[5]HH)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]N[6a]N)(C[5]C[5]HH){1|C<3>,1|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(NHH){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a]C[5])(C[5]C[5]HH){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,5|H<1>}	117.4390	0.000	1	117.4390	0.000	1	117.4390	0.000	1	118.0270	0.287	3	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:2:4:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:N[6a]-2:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(CH3){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	119.4760	0.000	1	119.4760	0.000	1	119.3075	0.057	2	119.8299	0.190	9	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:2:4:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:N[6a]-2:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]C)(C[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]C)(C[5]N[5]HH){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]HH){1|C<4>,1|N<2>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	119.1390	0.000	1	119.1390	0.000	1	119.3075	0.057	2	119.8299	0.190	9	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:2:4:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(CCHH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH){2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(CCHH){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	120.3360	0.000	1	120.3360	0.000	1	120.3360	0.000	1	119.8299	0.190	9	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:2:4:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:N[6a]-2:C-4:	N[5a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]N[5a,6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[5a,6a])(CH3)	C[5,6a](N[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	C[5,6a](C[5,6a]N[5a,6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH){1|C<3>,1|N<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[5a,6a])(CH3){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](N[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	119.9197	0.351	6	119.9197	0.123	6	119.9197	0.123	6	119.8299	0.190	9	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:2:4:	3:4:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:N[6a]-2:C-4:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HH)(N[6a]C[6a])	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(CH3){1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HH)(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	117.2330	0.000	1	117.2330	0.000	1	117.2330	0.000	1	117.2330	0.000	1	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:2:4:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:N[6a]-2:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]N[6a]C)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(CH3)	C[5,6a](C[5,5]C[5,6]C[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]N[6a]C)(C[5]O[5]HH){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,6a](C[5,5]C[5,6]C[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|N<3>,4|H<1>,5|C<4>}	119.7490	0.000	1	119.7490	0.000	1	119.7490	0.000	1	119.7490	0.000	1	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:2:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:N[6a]-2:S[5]-2:	C[5,6a](C[5,6a]N[6a]S[5])(C[6a]C[6a,6a]H)(C[5]C[5]HO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(S[5]C[5])	C[5,6a](C[5,6a]N[6a]S[5])(C[6a]C[6a,6a]H)(C[5]C[5]HO){4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|C<4>,1|N<2>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(S[5]C[5]){1|O<2>,2|H<1>,4|C<3>}	117.9800	0.486	2	117.9800	0.237	2	117.9800	0.237	2	117.9800	0.237	2	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:2:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(C[5]N[5]O)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HO){1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(C[5]N[5]O){1|O<2>,2|C<3>,3|H<1>}	119.2810	0.003	2	119.2810	0.000	2	119.2810	0.000	2	117.7938	0.522	38	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:2:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]2)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]2){1|C<4>,2|C<3>,6|H<1>}	117.8620	0.257	4	117.8620	0.066	4	117.5991	0.206	34	117.7938	0.522	38	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:2:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C){1|C<3>,1|O<2>,5|H<1>}	117.3447	0.222	3	117.5640	0.217	30	117.5991	0.206	34	117.7938	0.522	38	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:2:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C){1|C<3>,6|H<1>}	117.5884	0.482	27	117.5640	0.217	30	117.5991	0.206	34	117.7938	0.522	38	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:2:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]HO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]N[5]O)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]HO){1|C<4>,1|O<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|N<2>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]N[5]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.3340	0.000	1	119.3340	0.000	1	119.6170	0.160	2	117.7938	0.522	38	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:2:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]CH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]O[5]C)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]CH){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]O[5]C){1|C<4>,2|C<3>,2|H<1>}	119.9000	0.000	1	119.9000	0.000	1	119.6170	0.160	2	117.7938	0.522	38	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:2:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:Br-1:	C[5,6a]-3:N[6a]-2:C[5]-4:	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]Br)(C[5]C[5]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(Br)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]HH)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]Br)(C[5]C[5]HH){2|C<3>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(Br){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]HH){1|Br<1>,2|C<3>,4|H<1>}	118.0870	0.000	1	118.0870	0.000	1	118.0870	0.000	1	119.1125	2.103	2	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:2:4:	C[5,6a]-3:C[6a]-3:S[5]-4:	N[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:N[6a]-2:C[5]-4:	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]N[5a,6a]H)(S[5]O[5]OO)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]S[5])(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5a,6a])(C[5]O[5]CC)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]N[5a,6a]H)(S[5]O[5]OO){1|C<3>,1|N<2>,2|C<4>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]S[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5a,6a])(C[5]O[5]CC){1|C<3>,1|H<1>,1|N<3>,2|O<1>}	120.1380	0.000	1	120.1380	0.000	1	120.1380	0.000	1	119.1125	2.103	2	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]CH){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	121.1310	0.645	2	121.1177	0.208	3	120.6844	0.544	11	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]CH){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|O<2>,3|C<3>,3|H<1>}	121.0910	0.000	1	121.1177	0.208	3	120.6844	0.544	11	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]CN)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]CN){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|N<3>,2|C<3>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	121.1378	0.260	4	121.1378	0.067	4	120.6844	0.544	11	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]HH){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(O[5]C[5]){1|C<3>,1|C<4>,5|H<1>}	120.2910	0.000	1	120.2910	0.000	1	120.6844	0.544	11	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]HH){1|C<3>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,5|H<1>}	120.3840	0.000	1	120.3840	0.000	1	120.6844	0.544	11	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]HH){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])2(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(O[5]C[5]){1|C<3>,1|O<2>,5|H<1>}	119.4745	0.510	2	119.4745	0.260	2	120.6844	0.544	11	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CH){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){2|Cl<1>,1|H<1>,1|O<1>,2|C<3>}	118.1420	0.000	1	118.1420	0.000	1	118.1420	0.000	1	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(C[5]C[5]HN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(C[5]C[5]HN){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|Cl<1>,1|N<3>,2|H<1>,3|C<3>}	118.4565	0.565	2	118.4565	0.319	2	118.4565	0.319	2	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5])(O[5]C[5])	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5])(O[5]C[5]){1|C<3>,3|H<1>,4|C<4>}	120.8895	0.187	2	120.8895	0.035	2	120.8895	0.035	2	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	118.8730	0.000	1	118.4795	0.310	2	120.3219	0.465	33	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,2|C<4>,3|H<1>}	118.0860	0.000	1	118.4795	0.310	2	120.3219	0.465	33	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|Br<1>,1|C<3>,1|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]){1|C<3>,2|H<1>,3|C<4>}	121.6620	0.000	1	121.6620	0.000	1	120.3219	0.465	33	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,2|H<1>,3|C<4>}	120.5795	0.354	2	120.5795	0.126	2	120.3219	0.465	33	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Cl<1>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	121.2200	0.000	1	121.2200	0.000	1	120.3219	0.465	33	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,2|H<1>,3|C<4>}	120.3889	0.371	8	120.3427	0.109	18	120.3219	0.465	33	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	120.4130	0.000	1	120.3427	0.109	18	120.3219	0.465	33	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	120.2939	0.324	9	120.3427	0.109	18	120.3219	0.465	33	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.5800	0.655	2	120.5800	0.429	2	120.3219	0.465	33	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.4565	0.120	2	120.1950	0.667	4	120.3219	0.465	33	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.8590	0.000	1	120.1950	0.667	4	120.3219	0.465	33	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	119.0080	0.000	1	120.1950	0.667	4	120.3219	0.465	33	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CS)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CS){1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,2|H<1>,2|S<2>}	120.9530	0.000	1	120.9530	0.000	1	120.3219	0.465	33	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[5])(H){1|N<2>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|O<1>,4|H<1>}	120.1690	0.000	1	120.1690	0.000	1	120.3219	0.465	33	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]NP)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]NP){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|N<3>,1|O<1>,1|P<4>,2|H<1>}	120.3910	0.000	1	120.3910	0.000	1	120.3219	0.465	33	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|Cl<1>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	119.7730	0.670	2	119.7730	0.449	2	119.8097	0.426	105	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	119.7890	0.140	3	119.6612	0.078	4	119.8097	0.426	105	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|Cl<1>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|Cl<1>,1|C<3>,1|C<4>,4|H<1>}	119.2780	0.000	1	119.6612	0.078	4	119.8097	0.426	105	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,2|C<4>,4|H<1>}	118.0480	0.000	1	118.0480	0.000	1	119.8097	0.426	105	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|O<1>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.0340	0.000	1	120.0340	0.000	1	119.8097	0.426	105	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,2|C<4>,4|H<1>}	119.7490	0.000	1	119.7490	0.000	1	119.8097	0.426	105	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.5685	0.542	4	119.5685	0.294	4	119.8097	0.426	105	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.7003	0.240	3	119.2433	0.197	10	119.8097	0.426	105	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.1296	0.324	5	119.2433	0.197	10	119.8097	0.426	105	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,2|C<4>,4|H<1>}	119.1770	0.000	1	119.2433	0.197	10	119.8097	0.426	105	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<4>,2|H<1>,3|C<3>}	118.5070	0.000	1	119.2433	0.197	10	119.8097	0.426	105	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	118.7820	0.000	1	118.7820	0.000	1	119.8097	0.426	105	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|Br<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){3|C<3>,4|H<1>}	120.3565	0.450	2	120.3565	0.203	2	119.8097	0.426	105	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<2>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<2>,2|C<3>,4|H<1>}	120.4230	0.000	1	119.8200	0.609	3	119.8097	0.426	105	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	118.9390	0.000	1	119.8200	0.609	3	119.8097	0.426	105	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){3|C<3>,4|H<1>}	120.0980	0.000	1	119.8200	0.609	3	119.8097	0.426	105	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5]){3|C<3>,4|H<1>}	120.9320	0.000	1	120.9320	0.000	1	119.8097	0.426	105	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,1|C<4>,5|H<1>}	120.6723	0.732	3	120.6723	0.536	3	119.8097	0.426	105	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	119.2550	0.000	1	119.4243	0.177	14	119.8097	0.426	105	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,5|H<1>}	119.8467	0.183	3	119.4243	0.177	14	119.8097	0.426	105	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,2|C<3>,3|H<1>}	119.0200	0.120	2	119.4243	0.177	14	119.8097	0.426	105	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	119.3140	0.000	1	119.4243	0.177	14	119.8097	0.426	105	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	119.6167	0.525	4	119.4243	0.177	14	119.8097	0.426	105	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,3|C<3>,3|H<1>}	119.1080	0.135	3	119.4243	0.177	14	119.8097	0.426	105	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,2|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	120.5380	0.000	1	120.5380	0.000	1	119.8097	0.426	105	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|Br<1>,3|C<3>,3|H<1>}	120.2910	0.000	1	120.2160	0.011	2	119.8097	0.426	105	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<2>,3|C<3>,3|H<1>}	120.1410	0.000	1	120.2160	0.011	2	119.8097	0.426	105	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CO){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<2>,3|C<3>,3|H<1>}	120.7810	0.000	1	120.7810	0.000	1	119.8097	0.426	105	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CS)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CS){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	120.1610	0.000	2	120.1610	0.000	2	119.8097	0.426	105	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,5|H<1>}	119.6680	0.000	1	119.6680	0.000	1	119.8097	0.426	105	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,6|H<1>}	119.5270	0.836	5	119.3744	0.575	8	119.8097	0.426	105	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,6|H<1>}	119.1200	0.677	3	119.3744	0.575	8	119.8097	0.426	105	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,5|H<1>}	119.3410	0.000	1	120.2245	1.561	2	119.8097	0.426	105	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	121.1080	0.000	1	120.2245	1.561	2	119.8097	0.426	105	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(O[5]C[5]){1|C<3>,1|C<4>,5|H<1>}	120.6790	0.000	1	120.6790	0.000	1	119.8097	0.426	105	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N[5])(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N[5])(O[5]C[5]){3|C<3>,6|H<1>}	119.7030	0.232	4	119.7030	0.054	4	119.8097	0.426	105	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5]){1|C<3>,2|C<4>,4|H<1>}	120.1744	0.563	11	120.1612	0.296	13	119.8097	0.426	105	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|H<1>,1|O<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5]){1|C<3>,2|C<4>,4|H<1>}	120.0885	0.606	2	120.1612	0.296	13	119.8097	0.426	105	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O[4])(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|H<1>,1|O<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O[4])(O[5]C[5]){2|In<4>,1|C<3>,2|C<4>,4|H<1>}	119.3180	0.000	1	119.3180	0.000	1	119.8097	0.426	105	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,5|H<1>}	119.9350	0.000	1	119.7695	0.055	2	119.8097	0.426	105	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|O<2>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<1>,4|H<1>}	119.6040	0.000	1	119.7695	0.055	2	119.8097	0.426	105	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<2>,1|C<4>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	120.1340	0.000	1	120.1340	0.000	1	119.8097	0.426	105	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	120.2720	0.000	1	120.2720	0.000	1	119.8097	0.426	105	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]S)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|S<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,6|H<1>}	119.7540	0.000	1	119.7540	0.000	1	119.8097	0.426	105	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|N<3>,3|C<3>,3|H<1>}	120.5470	0.000	1	120.5746	0.034	5	119.8097	0.426	105	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|Br<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|N<3>,2|C<3>,4|H<1>}	120.5815	0.213	4	120.5746	0.034	5	119.8097	0.426	105	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|N<3>,2|C<3>,4|H<1>}	119.5530	0.000	1	119.5530	0.000	1	119.8097	0.426	105	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HN){2|Cl<1>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(O[5]C[5]){1|N<3>,2|C<3>,4|H<1>}	121.2800	0.000	1	121.2800	0.000	1	119.8097	0.426	105	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HN){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|N<3>,2|C<3>,4|H<1>}	120.2320	0.000	1	119.8920	0.231	2	119.8097	0.426	105	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HN){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|N<3>,3|C<3>,3|H<1>}	119.5520	0.000	1	119.8920	0.231	2	119.8097	0.426	105	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|Br<1>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){2|C<3>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<2>,2|C<3>,3|H<1>}	119.7020	0.000	1	119.7020	0.000	1	119.8097	0.426	105	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	119.5670	0.000	1	119.5670	0.000	1	119.8097	0.426	105	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	119.7220	0.000	1	119.7294	0.049	5	119.8097	0.426	105	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<2>,5|H<1>}	119.9060	0.000	1	119.7294	0.049	5	119.8097	0.426	105	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	119.6950	0.392	2	119.7294	0.049	5	119.8097	0.426	105	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<2>,2|C<3>,4|H<1>}	119.6290	0.000	1	119.7294	0.049	5	119.8097	0.426	105	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	120.2520	0.000	1	120.2520	0.000	1	119.8097	0.426	105	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	118.9070	0.000	1	118.9070	0.000	1	119.1332	0.274	10	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	118.8817	0.051	3	118.8817	0.003	3	119.1332	0.274	10	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]){1|O<2>,3|C<3>,3|H<1>}	120.1650	0.000	1	120.1650	0.000	1	119.1332	0.274	10	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|C<4>,4|H<1>}	118.9160	0.000	1	118.6040	0.195	2	119.1332	0.274	10	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]){2|C<3>,5|H<1>}	118.2920	0.000	1	118.6040	0.195	2	119.1332	0.274	10	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|S<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|S<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	119.2690	0.000	1	119.2690	0.000	1	119.1332	0.274	10	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]O[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(S[5]O[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,1|S<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(S[5]O[5]){1|C<3>,2|C<4>,2|H<1>}	119.5690	0.030	2	119.5690	0.001	2	119.1332	0.274	10	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]C[5])	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|Se<2>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]C[5]){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	118.8230	0.000	1	118.8230	0.000	1	119.5430	0.559	3	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]O[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(Se[5]O[5])	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(Se[5]O[5]){1|C<3>,2|C<4>,2|H<1>}	119.9030	0.584	2	119.9030	0.341	2	119.5430	0.559	3	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5])	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|N<2>,2|C<4>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]){2|C<4>,2|H<1>,4|C<3>}	120.4010	0.000	1	120.4010	0.000	1	120.4010	0.000	1	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]O)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5])	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|O<1>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]O)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5]){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	121.4170	0.000	1	121.4170	0.000	1	120.7400	0.917	2	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5])	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5]){4|C<3>,5|H<1>}	120.0630	0.000	1	120.0630	0.000	1	120.7400	0.917	2	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]N[6a]O)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]N[6a]O)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5]){1|N<3>,1|O<1>,2|C<3>,5|H<1>}	122.1830	0.000	1	122.1830	0.000	1	122.1830	0.000	1	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:N[6a]-3:O[5]-2:	C[5,6a](C[5,6a]N[6a]O[5])(C[6a]N[6a]O)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a]C)(O[5]C[5])	C[5,6a](C[5,6a]N[6a]O[5])(C[6a]N[6a]O)(C[5]C[5]CC){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(O){1|C<2>,1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a]C)(O[5]C[5]){1|C<2>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	121.4850	0.000	1	121.4850	0.000	1	121.4850	0.000	1	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]H)(C[5]N[5,6a]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]H)(C[5]N[5,6a]HH){4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a]){4|C<3>,4|H<1>}	118.7213	0.362	3	118.7213	0.131	3	118.7213	0.131	3	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(C[5]C[5]CO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(C[5]C[5]CO){1|Si<4>,1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(N[5]C[5]){1|Si<4>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.8630	0.359	2	120.8630	0.129	2	120.8630	0.129	2	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	120.4420	0.000	1	119.8600	0.302	3	119.8600	0.302	3	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(O[5]C[5]){1|O<2>,2|C<3>,4|H<1>}	119.5690	0.310	2	119.8600	0.302	3	119.8600	0.302	3	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5,6a]-3:O[6a]-2:	C[5,6a](C[5,6a]C[5,6a]O[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]HO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(O[6a]C[6a,6a])	C[5,6a](C[5,6a]C[5,6a]O[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]HO){4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(O){2|H<1>,2|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(O[6a]C[6a,6a]){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	120.6390	0.000	1	120.6390	0.000	1	120.6390	0.000	1	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5]CS)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5]CS){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|N<2>,1|S<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]){1|H<1>,1|S<1>,2|C<3>,2|C<4>}	120.1450	0.000	1	120.1450	0.000	1	120.1450	0.000	1	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(P[5]C[5]CO)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(P[5]C[5]CO){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	119.6855	0.210	2	119.6855	0.044	2	119.6855	0.044	2	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:I[5]-2:	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(S[5]N[5]CO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(I[5]N[5])	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(S[5]N[5]CO){1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|I<2>,1|N<2>,1|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(I[5]N[5]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	121.0980	0.000	1	121.0980	0.000	1	121.0980	0.000	1	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:Si[5]-4:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(Si[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]Si[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(Si[5]C[5]CC){1|C<3>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[5,6a]C[5,6a]O[5])(H){1|Si<4>,1|C<3>,1|O<2>,4|C<4>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|Si<4>,1|C<3>,2|C<4>,3|H<1>}	119.0320	0.000	1	119.0320	0.000	1	119.0320	0.000	1	119.9369	0.635	186	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:B[5]-4:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:B[5]-3:	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]F)(B[5]O[5]OO)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]F)(B[5]O[5]O)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]F)(B[5]O[5]OO){1|C<3>,1|O<2>,2|F<1>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(F){1|B<3>,1|C<3>,1|F<1>,1|O<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]F)(B[5]O[5]O){1|C<3>,1|O<2>,1|O<3>,2|F<1>}	118.4910	0.000	1	118.4910	0.000	1	118.4910	0.000	1	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:B[5]-4:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:I[5]-3:	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]F)(B[5]O[5]2O)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(F)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(I[5]O[5]O)	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]F)(B[5]O[5]2O){1|C<3>,1|I<3>,1|O<2>,2|B<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(F){1|C<3>,1|H<1>,1|I<3>,1|O<2>,2|O<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(I[5]O[5]O){1|B<4>,1|C<3>,1|F<1>,1|H<1>,1|O<2>,1|O<3>}	112.8863	0.380	4	112.8863	0.144	4	112.8863	0.144	4	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:B[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]N[5]OO)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]N[5]OO){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,2|O<2>,3|C<3>}	117.6950	0.000	1	117.6950	0.000	1	117.6950	0.000	1	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:B[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]N[5]OO)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]N[5]OO){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	117.3548	0.537	6	117.3548	0.289	6	117.3548	0.289	6	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:B[5]-4:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[6a,6a]-3:C[5,6]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[6a]C[6a,6a]H)(B[5]N[5,6]CC)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]B[5])(H)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[6a]C[6a,6a]H)(B[5]N[5,6]CC){5|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]B[5])(H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5]){2|C<4>,3|H<1>,5|C<3>}	118.6970	0.000	1	118.6970	0.000	1	118.6970	0.000	1	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5,5]-4:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6,6a]H)(C[5,5]C[5]3)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6,6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6,6a]H)(C[5,5]C[5]3){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6,6a]H)(N[5]C[5]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	118.3430	0.000	1	118.3430	0.000	1	118.3430	0.000	1	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5,5]-4:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5,5]C[5]3)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5,5]C[5]3){1|C<4>,1|N<2>,1|O<1>,2|C<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(Br){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	117.3390	0.000	1	118.0030	0.882	2	118.0030	0.882	2	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5,5]-4:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5,5]C[5]3)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5,5]C[5]3){1|N<3>,1|O<1>,1|S<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(Br){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	118.6670	0.000	1	118.0030	0.882	2	118.0030	0.882	2	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[4,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[4,6a]H)(C[5]O[5]HH)	C[6a](C[4,6a]C[4,6,6]C[4,6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[4,6a]C)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[4,6a]H)(C[5]O[5]HH){1|C<3>,1|O<1>,2|C<4>}	C[6a](C[4,6a]C[4,6,6]C[4,6a])(C[5,6a]C[5,6a]C[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[4,6a]C)(C[5]O[5]O){1|C<3>,1|C<4>,3|H<1>}	123.2650	0.000	1	123.2650	0.000	1	123.2650	0.000	1	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])2(H){3|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[5,6a]H){2|H<1>,3|C<3>,3|C<4>}	121.6130	0.000	1	121.6130	0.000	1	121.6130	0.000	1	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]CC){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){2|C<3>,2|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]C){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	122.2655	0.078	2	122.2655	0.006	2	122.2070	0.013	3	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]HH){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]O){1|C<3>,1|O<2>,3|H<1>}	122.0900	0.000	1	122.0900	0.000	1	122.2070	0.013	3	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5,6a]-3:H-1:	C[6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]N[5])(H)	C[5,6a](C[6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]HH){1|N<3>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]N[5])(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]O[5]O){1|N<3>,3|C<3>,3|H<1>}	123.5610	0.000	1	123.5610	0.000	1	123.5610	0.000	1	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]N[5]HH){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]2)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]N[5]O){1|C<4>,2|C<3>,3|H<1>}	121.1930	0.000	1	121.1930	0.000	1	121.0785	0.337	8	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]O[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]O[6])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]O)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]O[5]CH){1|C<3>,1|O<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]O[6])(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]O)(C[5]O[5]O){1|C<3>,2|C<4>,2|H<1>}	120.9595	0.616	6	120.9595	0.380	6	121.0785	0.337	8	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]O[5]HO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]O)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]O[5]HO){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]O)(C[5]O[5]O){1|O<2>,2|C<3>,2|H<1>}	121.6780	0.000	1	121.6780	0.000	1	121.0785	0.337	8	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,6a]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,6a]CC){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a,6a]2)(H){1|B<4>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){1|B<4>,2|C<4>,2|H<1>,3|C<3>}	119.3320	0.399	2	119.3847	0.088	3	119.3847	0.088	3	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,6a]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,6a]CC){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a,6a]2)(H){2|C<4>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){2|C<4>,2|H<1>,4|C<3>}	119.4900	0.000	1	119.3847	0.088	3	119.3847	0.088	3	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a,6a]-3:H-1:	C[6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a,6a]2)(H)	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a,6a]2)(H){2|H<1>,6|C<3>}	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]){4|H<1>,6|C<3>}	121.5610	0.247	2	121.5610	0.061	2	121.5610	0.061	2	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]2H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]2H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Br){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|C<3>,1|C<4>,4|H<1>}	118.0337	0.419	4	118.0337	0.175	4	119.0935	1.739	10	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HH){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Br){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|O<2>,2|C<3>,3|H<1>}	117.9900	0.000	1	118.2785	0.166	2	119.0935	1.739	10	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HH){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Br){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,2|C<3>,3|H<1>}	118.5670	0.000	1	118.2785	0.166	2	119.0935	1.739	10	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(Br)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HH){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(Br){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|C<3>,5|H<1>}	120.2740	0.000	1	120.2740	0.000	1	119.0935	1.739	10	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(Br)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HO){1|C<2>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(Br){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Br<1>,1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.2000	0.000	1	120.2000	0.000	1	119.0935	1.739	10	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(Br)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]O[5]HH){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(Br){1|O<2>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|Br<1>,1|C<3>,3|H<1>}	120.8845	0.322	2	120.8845	0.104	2	119.0935	1.739	10	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5]C[5]CN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5]C[5]CN){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Br){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	118.1030	0.000	1	118.1030	0.000	1	118.1877	0.091	4	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5]C[5]CO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Br){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	118.0360	0.264	2	118.0360	0.070	2	118.1877	0.091	4	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5]C[5]HN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5]C[5]HN){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	118.5760	0.000	1	118.5760	0.000	1	118.1877	0.091	4	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]C[5]HH){2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|Cl<1>,3|C<3>,5|H<1>}	119.8990	0.000	1	119.8990	0.000	1	119.8990	0.000	1	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]C[5]CH){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]N){1|Cl<1>,1|C<3>,1|C<4>,4|H<1>}	118.7440	0.000	1	118.7440	0.000	1	119.7575	0.688	4	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]C[5]HH){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(Cl){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Cl<1>,2|C<3>,3|H<1>}	119.6450	0.000	1	119.6450	0.000	1	119.7575	0.688	4	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]CO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]CO){2|Cl<1>,1|C<3>,1|C<4>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O){2|Cl<1>,1|C<3>,1|O<2>,2|C<4>}	120.7630	0.000	1	120.7630	0.000	1	119.7575	0.688	4	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]O[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]O[5]CH){1|C<3>,1|O<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	119.8780	0.000	1	119.8780	0.000	1	119.7575	0.688	4	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CC){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	116.4380	0.000	1	116.4380	0.000	1	117.9046	0.735	9	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CC){1|Cl<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]H){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	118.1520	0.000	1	118.1520	0.000	1	117.9046	0.735	9	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CC){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	118.6500	0.000	1	118.6500	0.000	1	117.9046	0.735	9	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CF)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CF){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|C<4>,1|F<1>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<1>}	118.4320	0.000	1	118.4320	0.000	1	117.9046	0.735	9	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CH){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,2|H<1>}	118.8790	0.000	1	118.8790	0.000	1	117.9046	0.735	9	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CH){1|C<3>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){2|Cl<1>,1|H<1>,1|O<1>,2|C<3>}	118.6310	0.000	1	118.6310	0.000	1	117.9046	0.735	9	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]ClC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]ClC){1|C<3>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	117.3197	0.407	3	117.3197	0.166	3	117.9046	0.735	9	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]HH){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,3|C<3>,3|H<1>}	118.8445	0.107	2	118.8445	0.011	2	118.8445	0.011	2	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]N[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(F)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]N[5]CH){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(F){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	118.0170	0.000	1	118.0170	0.000	1	118.0170	0.000	1	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]B[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]B[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]B[5]HH){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|B<3>,1|B<4>,1|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]B[5])(C[6a]C[6a]C){4|C<3>,5|H<1>}	121.4210	0.000	1	121.4210	0.000	1	121.3757	0.113	6	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]C[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|B<3>,1|C<3>,1|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]C[5])(C[6a]C[6a]C){4|C<3>,5|H<1>}	121.2090	0.000	1	121.2090	0.000	1	121.3757	0.113	6	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]N[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	121.3760	0.656	2	121.4693	0.241	3	121.3757	0.113	6	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	121.6560	0.000	1	121.4693	0.241	3	121.3757	0.113	6	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]HN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]HN){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	121.2160	0.000	1	121.2160	0.000	1	121.3757	0.113	6	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(N[5]C[5]C)	C[5,6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(N[5]C[5]C){1|C<3>,3|C<4>,6|H<1>}	120.7530	0.000	1	120.7530	0.000	1	120.8420	0.016	2	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])	C[5,6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[6a]C[5])(N[5]C[6a]C[5]){1|C<4>,1|N<3>,2|C<3>,2|N<2>,6|H<1>}	120.9310	0.000	1	120.9310	0.000	1	120.8420	0.016	2	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|O<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,2|H<1>,3|C<3>}	119.7710	0.000	1	119.7710	0.000	1	120.7355	0.441	40	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	120.7340	0.000	1	120.3349	0.115	8	120.7355	0.441	40	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	120.5680	0.188	2	120.3349	0.115	8	120.7355	0.441	40	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	120.1423	0.412	3	120.3349	0.115	8	120.7355	0.441	40	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	120.1910	0.109	2	120.3349	0.115	8	120.7355	0.441	40	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,3|H<1>}	121.0560	0.000	1	121.0560	0.000	1	120.7355	0.441	40	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	120.2850	0.000	1	121.1264	0.908	5	120.7355	0.441	40	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	120.6600	0.000	1	121.1264	0.908	5	120.7355	0.441	40	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	120.9870	0.000	1	121.1264	0.908	5	120.7355	0.441	40	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	120.9440	0.000	1	121.1264	0.908	5	120.7355	0.441	40	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	122.7560	0.000	1	121.1264	0.908	5	120.7355	0.441	40	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	121.6105	0.329	2	121.6105	0.108	2	120.7355	0.441	40	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Cl<1>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H){3|C<3>,6|H<1>}	121.6400	0.000	1	121.6400	0.000	1	120.7355	0.441	40	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	120.6330	0.694	2	120.9505	0.185	11	120.7355	0.441	40	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,6|H<1>}	120.8520	0.000	1	120.9505	0.185	11	120.7355	0.441	40	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	121.6320	0.000	1	120.9505	0.185	11	120.7355	0.441	40	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Ru<5>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|Ru<5>,1|N<3>,2|C<3>,4|H<1>}	121.4000	0.000	1	120.9505	0.185	11	120.7355	0.441	40	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Ru<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|Ru<6>,1|N<3>,2|C<3>,4|H<1>}	120.8967	0.385	4	120.9505	0.185	11	120.7355	0.441	40	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H){3|C<3>,6|H<1>}	120.9570	0.000	1	120.9505	0.185	11	120.7355	0.441	40	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|Cl<1>,3|C<3>,5|H<1>}	120.7620	0.000	1	120.9505	0.185	11	120.7355	0.441	40	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	120.0244	0.340	5	120.0361	0.078	7	120.7355	0.441	40	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	120.1120	0.000	1	120.0361	0.078	7	120.7355	0.441	40	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	120.0190	0.000	1	120.0361	0.078	7	120.7355	0.441	40	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,1|O<2>,1|S<4>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,1|S<4>,3|C<3>,3|H<1>}	121.2590	0.000	1	121.1110	0.044	2	120.7355	0.441	40	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	120.9630	0.000	1	121.1110	0.044	2	120.7355	0.441	40	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	120.9950	0.000	1	120.9950	0.000	1	120.7355	0.441	40	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]O[5])(C[6a]C[6a]H){3|C<3>,4|H<1>}	121.4950	0.000	1	121.4950	0.000	1	120.7355	0.441	40	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:B[5]-3:	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]HN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]N[5]N)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]HN){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]N[5]N){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.6790	0.000	1	121.3428	0.068	5	121.7782	0.188	13	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:B[5]-3:	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]HN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]N[5]N)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]HN){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]N[5]N){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.1160	0.000	1	121.3428	0.068	5	121.7782	0.188	13	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:B[5]-3:	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]HN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]N[5]N)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]HN){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]N[5]N){1|N<3>,2|C<3>,3|H<1>}	121.3063	0.228	3	121.3428	0.068	5	121.7782	0.188	13	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:B[5]-3:	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]O[5]O)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]O[5]O){1|C<3>,1|C<4>,3|H<1>}	121.6100	0.000	1	121.6100	0.000	1	121.7782	0.188	13	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:B[5]-3:	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(B[5]O[5]O)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,1|O<2>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|B<3>,1|C<3>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(B[5]O[5]O){1|C<3>,4|H<1>}	122.1330	0.000	1	122.1330	0.000	1	121.7782	0.188	13	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:B[5]-3:	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]O[5]O)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,1|F<1>,1|H<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|B<3>,1|C<3>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]O[5]O){1|C<3>,4|H<1>}	122.1098	0.211	6	122.1098	0.044	6	121.7782	0.188	13	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]BH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]BH){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|B<4>,1|C<3>,4|H<1>}	119.7900	0.000	1	119.7900	0.000	1	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]BH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]BH){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|B<3>,1|C<3>,4|H<1>}	120.1940	0.000	1	120.1940	0.000	1	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]BH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]BH){1|C<3>,1|P<4>,1|S<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|B<4>,1|C<3>,1|S<3>,3|H<1>}	118.7990	0.000	1	118.7990	0.000	1	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H){1|H<1>,3|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,3|C<4>,3|H<1>}	120.0870	0.000	1	120.0870	0.000	1	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<4>,2|C<3>,3|H<1>}	121.2480	0.000	1	121.2480	0.000	1	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|H<1>,4|C<3>}	119.5950	0.000	1	119.5950	0.000	1	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|Si<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Si<4>,1|C<3>,1|C<4>,3|H<1>}	120.7970	0.000	1	120.7970	0.000	1	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,2|C<4>,4|H<1>}	119.5080	0.000	1	119.5080	0.000	1	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<4>,2|C<3>,3|H<1>}	120.5980	0.000	1	120.5980	0.000	1	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]B)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|B<4>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]B){1|C<3>,1|C<4>,4|H<1>}	121.1115	0.316	2	121.1115	0.100	2	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<2>,1|C<4>,2|C<3>,3|H<1>}	120.6780	0.000	1	120.4115	0.142	2	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	120.1450	0.000	1	120.4115	0.142	2	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|S<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<2>,1|C<3>,1|S<4>,4|H<1>}	121.4860	0.000	1	120.6615	1.360	2	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|C<4>,4|H<1>}	119.8370	0.000	1	120.6615	1.360	2	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|N<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|C<4>,5|H<1>}	120.2770	0.000	1	121.1160	1.408	2	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	121.9550	0.000	1	121.1160	1.408	2	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,2|C<4>,4|H<1>}	120.1780	0.000	1	119.5757	0.202	10	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|N<3>,2|C<3>,4|H<1>}	119.1810	0.000	1	119.5757	0.202	10	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|O<1>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,5|H<1>}	119.4425	0.391	2	119.5757	0.202	10	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|O<1>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,5|H<1>}	119.3297	0.490	3	119.5757	0.202	10	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,3|H<1>}	119.8413	0.345	3	119.5757	0.202	10	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	120.0320	0.000	1	120.3160	0.161	2	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,5|H<1>}	120.6000	0.000	1	120.3160	0.161	2	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.0920	0.000	1	120.0920	0.000	1	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	121.1530	0.000	1	121.1530	0.000	1	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|O<2>,2|H<1>,3|C<3>}	121.6590	0.302	3	121.6590	0.091	3	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	120.4870	0.000	1	119.9145	0.169	4	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	119.8450	0.000	1	119.9145	0.169	4	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.6630	0.221	2	119.9145	0.169	4	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CP)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CP){1|C<3>,1|S<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|P<4>,1|S<2>,2|C<3>,2|H<1>}	120.7700	0.000	1	120.7700	0.000	1	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CP)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CP){1|C<3>,1|P<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,1|C<4>,1|P<4>,3|H<1>}	120.5680	0.000	1	120.7200	0.049	3	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CP)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CP){1|Pd<4>,1|C<3>,1|P<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|Pd<4>,1|C<3>,1|C<4>,1|P<4>,2|H<1>}	120.7960	0.250	2	120.7200	0.049	3	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O){1|O<2>,3|C<3>,5|H<1>}	120.1110	0.000	1	120.1110	0.000	1	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|B<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H){3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|B<3>,1|C<3>,4|H<1>}	120.7030	0.000	1	120.7030	0.000	1	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,2|C<4>,4|H<1>}	120.0000	0.054	2	120.0000	0.003	2	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){2|C<3>,3|C<4>,4|H<1>}	121.9597	0.160	6	121.9597	0.026	6	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	120.1480	0.206	2	119.9383	0.114	12	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,4|H<1>}	119.9273	0.482	4	119.9383	0.114	12	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|N<3>,2|C<3>,4|H<1>}	120.0920	0.000	1	119.9383	0.114	12	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|H<1>,1|O<1>,1|S<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|S<2>,2|C<3>,4|H<1>}	119.7800	0.376	3	119.9383	0.114	12	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){3|C<3>,4|H<1>}	119.9115	0.203	2	119.9383	0.114	12	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){2|C<3>,3|C<4>,4|H<1>}	121.6265	0.332	4	121.6265	0.110	4	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<4>,2|C<3>,3|H<1>}	119.8500	0.311	2	119.8500	0.097	2	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<2>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<2>,1|C<3>,1|C<4>,4|H<1>}	119.7690	0.000	1	119.7690	0.000	1	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Cl<1>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|O<2>,2|C<3>,4|H<1>}	120.0750	0.000	1	120.0750	0.000	1	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|S<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,2|S<2>,4|H<1>}	121.2320	0.000	1	120.5600	0.364	3	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Cl<1>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<2>,2|C<3>,4|H<1>}	120.0660	0.000	1	120.5600	0.364	3	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){3|C<3>,4|H<1>}	120.3820	0.000	1	120.5600	0.364	3	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	119.9510	0.000	1	119.9510	0.000	1	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|F<1>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,5|H<1>}	119.9060	0.000	1	119.8480	0.216	4	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|F<1>,1|H<1>,1|O<1>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,2|C<4>,4|H<1>}	119.3660	0.000	1	119.8480	0.216	4	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|F<1>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,6|H<1>}	120.0600	0.567	2	119.8480	0.216	4	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O){1|O<2>,3|C<3>,5|H<1>}	120.6510	0.000	1	120.6510	0.000	1	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]O){1|C<3>,1|C<4>,5|H<1>}	119.9830	0.380	2	119.9830	0.145	2	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){1|C<3>,3|C<4>,5|H<1>}	120.3830	0.000	1	120.7958	0.397	18	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){1|Re<8>,1|C<3>,3|C<4>,4|H<1>}	120.3380	0.000	1	120.7958	0.397	18	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){1|C<4>,3|C<3>,5|H<1>}	118.7780	0.000	1	120.7958	0.397	18	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){2|C<3>,3|C<4>,4|H<1>}	121.2873	0.124	6	120.7958	0.397	18	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){1|C<3>,2|C<4>,6|H<1>}	121.0250	0.000	1	120.7958	0.397	18	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){1|C<4>,2|C<3>,6|H<1>}	120.7595	0.316	8	120.7958	0.397	18	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,5|H<1>}	120.4353	0.531	7	120.6794	0.311	16	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|N<3>,4|H<1>}	121.4020	0.000	1	120.6794	0.311	16	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,4|H<1>}	120.6330	0.800	3	120.6794	0.311	16	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,5|H<1>}	120.9730	0.000	1	120.6794	0.311	16	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,6|H<1>}	120.6030	0.315	2	120.6794	0.311	16	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){2|C<3>,4|H<1>}	120.9830	0.000	1	120.6794	0.311	16	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){3|C<3>,4|H<1>}	121.3600	0.000	1	120.6794	0.311	16	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|B<3>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|B<3>,1|C<3>,4|H<1>}	120.0800	0.000	1	120.8344	1.940	17	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|C<4>,4|H<1>}	120.4770	0.312	4	120.8344	1.940	17	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|N<3>,4|H<1>}	120.6850	0.000	1	120.8344	1.940	17	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|P<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|P<3>,4|H<1>}	119.5810	0.000	1	120.8344	1.940	17	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|P<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|P<4>,4|H<1>}	120.4330	0.000	1	120.8344	1.940	17	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,5|H<1>}	125.7230	0.000	1	120.8344	1.940	17	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){2|C<3>,4|H<1>}	120.7218	0.747	8	120.8344	1.940	17	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|C<4>,5|H<1>}	119.8970	0.339	2	119.8037	0.061	8	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,6|H<1>}	119.8680	0.200	4	119.8037	0.061	8	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,2|C<4>,4|H<1>}	119.7520	0.000	1	119.8037	0.061	8	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){2|C<3>,4|H<1>}	119.4120	0.000	1	119.8037	0.061	8	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|C<2>,2|C<3>,3|H<1>}	120.0190	0.000	1	119.7251	0.148	64	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|F<1>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|F<1>,4|H<1>}	119.6140	0.734	3	119.7251	0.148	64	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	119.1715	0.610	2	119.7251	0.148	64	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,5|H<1>}	119.6037	0.232	7	119.7251	0.148	64	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|N<2>,4|H<1>}	119.6940	0.000	1	119.7251	0.148	64	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<1>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|C<3>,5|H<1>}	119.2160	0.000	1	119.7251	0.148	64	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<1>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|F<1>,5|H<1>}	119.5110	0.216	2	119.7251	0.148	64	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<1>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Cl<1>,1|C<3>,5|H<1>}	119.6180	0.000	1	119.7251	0.148	64	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,4|H<1>}	119.7820	0.163	4	119.7251	0.148	64	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	119.1510	0.000	1	119.7251	0.148	64	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|F<1>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|F<1>,2|C<3>,4|H<1>}	119.3930	0.000	1	119.7251	0.148	64	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|S<2>,2|C<3>,4|H<1>}	120.0250	0.000	1	119.7251	0.148	64	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,4|H<1>}	119.8272	0.369	32	119.7251	0.148	64	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,5|H<1>}	119.1330	0.000	1	119.7251	0.148	64	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){3|C<3>,4|H<1>}	119.8430	0.000	1	119.7251	0.148	64	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,4|H<1>}	119.5210	0.000	1	119.7251	0.148	64	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Se<2>,1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Se<2>,1|C<3>,1|C<4>,4|H<1>}	119.7307	0.061	3	119.7251	0.148	64	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|Br<1>,1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|Br<1>,1|C<3>,4|H<1>}	120.5710	0.000	1	119.7251	0.148	64	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,1|C<4>,4|H<1>}	120.4590	0.579	3	120.7922	0.738	43	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<3>,1|P<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,1|N<3>,4|H<1>}	121.9487	0.589	7	120.7922	0.738	43	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<4>,1|P<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,1|N<4>,4|H<1>}	120.0945	0.589	14	120.7922	0.738	43	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<2>,1|P<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,1|O<2>,4|H<1>}	121.2577	0.518	6	120.7922	0.738	43	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|P<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,5|H<1>}	120.2355	0.192	2	120.7922	0.738	43	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|P<4>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,1|S<2>,4|H<1>}	120.7415	0.025	2	120.7922	0.738	43	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|P<4>,1|S<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,1|S<3>,4|H<1>}	121.0490	1.110	3	120.7922	0.738	43	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|P<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,5|H<1>}	120.6913	0.511	3	120.7922	0.738	43	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|H<1>,2|P<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,1|P<4>,4|H<1>}	121.1390	0.000	1	120.7922	0.738	43	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|P<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){2|C<3>,4|H<1>}	121.4500	0.000	1	120.7922	0.738	43	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|P<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){2|C<3>,4|H<1>}	120.4140	0.000	1	120.7922	0.738	43	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]Ru)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Ru<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]Ru){2|C<3>,4|H<1>}	120.7315	0.474	2	120.7315	0.225	2	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]S)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|S<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]S){1|C<3>,5|H<1>}	120.6710	0.000	1	120.6710	0.000	1	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]O){2|C<3>,4|H<1>}	120.4590	0.000	1	120.4590	0.000	1	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]O){1|C<3>,2|C<4>,4|H<1>}	121.0260	0.000	1	120.3929	0.378	7	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]O){1|C<3>,6|H<1>}	120.1710	0.590	5	120.3929	0.378	7	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]O){2|C<3>,4|H<1>}	120.8690	0.000	1	120.3929	0.378	7	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]S)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<2>,1|S<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]S){1|C<3>,6|H<1>}	120.0295	0.446	2	120.0295	0.199	2	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,1|I<1>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,4|H<1>}	120.2745	0.241	2	120.2745	0.058	2	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,6|H<1>}	120.8830	0.000	1	120.8830	0.000	1	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]2){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	122.0900	0.000	1	122.0900	0.000	1	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){2|C<3>,3|C<4>,4|H<1>}	121.8057	0.180	3	121.8057	0.032	3	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,5|H<1>}	120.6590	0.000	1	120.6590	0.000	1	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	120.0798	0.331	5	120.1745	0.263	13	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|S<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<2>,2|S<2>,3|H<1>}	119.4790	0.136	2	120.1745	0.263	13	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,6|H<1>}	121.0190	0.256	2	120.1745	0.263	13	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<2>,2|C<3>,3|H<1>}	120.2182	0.248	4	120.1745	0.263	13	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]O){1|C<3>,1|O<2>,5|H<1>}	121.9670	0.000	1	121.9670	0.000	1	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|H<1>,1|N<2>,1|O<1>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]C)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]H)(C[5]C[5]O){1|C<3>,2|C<4>,3|H<1>}	118.5640	0.000	1	118.5640	0.000	1	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|N<3>,2|C<3>,3|H<1>}	120.7630	0.000	1	121.4360	0.906	2	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){2|C<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|N<2>,2|C<2>,3|H<1>}	122.1090	0.000	1	121.4360	0.906	2	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,1|O<1>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|N<3>,5|H<1>}	120.0160	0.000	1	120.1130	0.194	3	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|N<3>,2|C<3>,3|H<1>}	120.1615	0.612	2	120.1130	0.194	3	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|Br<1>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<2>,5|H<1>}	121.4720	2.249	2	121.4720	5.056	2	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	121.7580	0.000	1	121.3282	0.216	4	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|O<2>,2|C<3>,3|H<1>}	121.1850	0.447	3	121.3282	0.216	4	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	121.0175	0.261	2	121.0175	0.068	2	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	119.6480	0.000	1	120.0782	0.184	4	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	120.2230	0.000	1	120.0782	0.184	4	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<2>,2|C<3>,3|H<1>}	120.2210	0.552	2	120.0782	0.184	4	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<2>,2|C<3>,3|H<1>}	120.4390	0.000	1	120.4390	0.000	1	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|P<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|P<4>,2|C<3>,3|H<1>}	121.3070	0.000	1	121.3070	0.000	1	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|P<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|N<3>,1|P<4>,3|H<1>}	120.5695	0.064	4	120.6732	0.021	8	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|P<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|P<3>,4|H<1>}	120.7420	0.132	3	120.6732	0.021	8	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|P<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|P<4>,4|H<1>}	120.8820	0.000	1	120.6732	0.021	8	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|P<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|P<4>,2|C<3>,3|H<1>}	119.5420	0.000	1	119.5420	0.000	1	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP){1|Pd<4>,1|C<3>,1|P<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|P<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|Pd<4>,1|C<3>,1|P<4>,3|H<1>}	121.1300	0.000	1	121.1300	0.000	1	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HS)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HS){1|C<3>,1|O<1>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|S<2>,5|H<1>}	119.5360	0.000	1	119.5360	0.000	1	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,2|C<4>,3|H<1>}	121.0440	0.000	1	121.0440	0.000	1	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|C<3>,1|O<1>,1|S<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	121.4260	0.000	1	120.8570	0.648	2	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|C<3>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,2|C<4>,3|H<1>}	120.2880	0.000	1	120.8570	0.648	2	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CF)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CF){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|F<1>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<2>,1|F<1>,2|C<3>,2|H<1>}	121.6410	0.000	1	121.6410	0.000	1	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.9880	0.000	1	120.9880	0.000	1	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<2>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|C<3>,3|H<1>}	120.2790	0.419	2	120.2790	0.175	2	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,2|C<4>,3|H<1>}	119.7840	1.076	3	120.3744	0.314	28	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.3992	0.143	4	120.3744	0.314	28	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.4465	0.411	2	120.3744	0.314	28	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|O<1>,1|S<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	119.8705	0.743	2	120.3744	0.314	28	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,3|H<1>}	120.4335	0.558	2	120.3744	0.314	28	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,4|H<1>}	120.3588	0.393	4	120.3744	0.314	28	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){2|C<3>,4|H<1>}	120.4300	0.484	2	120.3744	0.314	28	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	120.2730	0.000	1	120.3744	0.314	28	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<2>,2|C<3>,3|H<1>}	121.4300	0.000	1	120.3744	0.314	28	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|C<3>,3|H<1>}	120.5763	0.481	7	120.3744	0.314	28	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CN){1|Zn<4>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|Zn<4>,1|C<3>,1|C<4>,1|N<2>,2|H<1>}	121.0660	0.017	2	121.0660	0.000	2	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CN){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	119.3260	0.000	1	119.3260	0.000	1	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	121.2685	0.405	2	121.2685	0.164	2	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	121.2460	0.000	1	120.5740	0.123	15	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.5916	0.219	9	120.5740	0.123	15	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	119.9385	0.037	2	120.5740	0.123	15	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){2|C<3>,2|H<1>,2|O<2>}	120.6955	0.037	2	120.5740	0.123	15	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.7720	0.000	1	120.5740	0.123	15	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]O){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	120.7500	0.000	1	120.7500	0.000	1	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]FF)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]FF){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,2|F<1>,2|H<1>}	121.4830	0.000	1	121.4830	0.000	1	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H){1|N<3>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,4|H<1>}	120.9170	0.000	1	120.9170	0.000	1	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|O<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O){2|C<3>,4|H<1>}	121.3840	0.000	1	121.3840	0.000	1	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|S<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O){1|C<3>,1|S<4>,4|H<1>}	120.8340	0.000	1	121.0590	0.101	2	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O){1|C<3>,1|C<4>,4|H<1>}	121.2840	0.000	1	121.0590	0.101	2	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,1|C<4>,4|H<1>}	121.5275	1.025	2	121.3751	0.538	16	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,1|N<3>,4|H<1>}	120.2920	0.000	1	121.3751	0.538	16	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,5|H<1>}	120.1160	0.000	1	121.3751	0.538	16	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){2|C<3>,4|H<1>}	121.1575	0.291	2	121.3751	0.538	16	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){2|C<3>,4|H<1>}	121.7059	0.591	9	121.3751	0.538	16	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|Pd<4>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|Pd<4>,1|C<3>,4|H<1>}	120.8710	0.000	1	121.3751	0.538	16	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,4|H<1>}	120.4287	0.462	20	120.3720	0.167	48	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,4|H<1>}	119.7390	0.000	1	120.3720	0.167	48	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){2|C<3>,4|H<1>}	120.3534	0.357	27	120.3720	0.167	48	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,1|O<2>,4|H<1>}	120.5330	0.000	1	120.5330	0.000	1	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]O)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]H)(C[5]N[5]O){1|C<3>,2|C<4>,3|H<1>}	120.8390	0.000	1	120.8390	0.000	1	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HN){1|Fe<5>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|Fe<5>,1|C<3>,1|N<2>,3|H<1>}	121.7070	0.000	1	121.4570	0.125	2	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HN){1|Zn<5>,1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|Zn<5>,1|C<3>,1|N<3>,3|H<1>}	121.2070	0.000	1	121.4570	0.125	2	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HN){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	121.9600	0.000	1	121.9600	0.000	1	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.9191	0.392	7	120.8625	0.116	11	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HO){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<2>,2|C<3>,3|H<1>}	120.7632	0.244	4	120.8625	0.116	11	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]NN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]NN){1|Cd<6>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|Cd<6>,1|C<3>,1|N<2>,1|N<3>,2|H<1>}	120.9185	0.726	2	120.9639	0.099	8	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]NN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]NN){1|Cd<6>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|N<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|Cd<6>,1|C<3>,2|H<1>,2|N<2>}	120.8545	0.105	2	120.9639	0.099	8	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]NN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]NN){1|Co<6>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|N<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|Co<6>,1|C<3>,2|H<1>,2|N<2>}	120.9920	0.079	2	120.9639	0.099	8	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]NN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]NN){1|Fe<6>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|N<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|Fe<6>,1|C<3>,2|H<1>,2|N<2>}	121.0905	0.293	2	120.9639	0.099	8	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]NO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]NO){1|Co<6>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|Co<6>,1|C<3>,1|N<2>,1|O<2>,2|H<1>}	121.0100	0.000	2	120.9835	0.171	4	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]NO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]NO){1|Ni<4>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|Ni<4>,1|C<3>,1|N<2>,1|O<2>,2|H<1>}	120.9570	0.714	2	120.9835	0.171	4	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]OO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]OO){1|Cl<1>,1|Ni<6>,1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|N<3>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|Cl<1>,1|Ni<6>,1|C<3>,1|H<1>,2|O<2>}	122.2040	0.000	1	122.2040	0.000	1	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CC){1|Br<1>,1|C<3>,1|H<1>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<4>,2|C<3>,2|H<1>}	121.0500	0.000	1	121.0500	0.000	1	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CC){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C){1|C<3>,2|C<4>,2|H<1>}	121.0440	0.000	1	121.0440	0.000	1	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]N){1|C<3>,2|C<4>,2|H<1>}	121.0130	0.000	1	121.0130	0.000	1	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<4>,2|C<3>,2|H<1>}	120.3716	0.683	5	120.5677	0.433	7	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,2|C<4>,2|H<1>}	121.0580	0.247	2	120.5677	0.433	7	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){2|C<3>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	120.6478	0.197	4	120.6478	0.039	4	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]N){1|C<3>,1|C<4>,3|H<1>}	120.5810	0.000	1	120.5810	0.000	1	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,3|H<1>}	121.0855	0.582	4	121.0855	0.338	4	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]O){1|C<3>,1|C<4>,3|H<1>}	121.4040	0.000	1	121.4040	0.000	1	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]N){1|C<3>,1|C<4>,3|H<1>}	120.5890	0.718	3	120.5890	0.515	3	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,3|H<1>}	120.8395	0.189	4	120.8395	0.036	4	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,3|H<1>}	121.8490	0.000	1	121.8490	0.000	1	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|O<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	122.0070	0.000	1	122.0070	0.000	1	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CO){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C){1|O<2>,2|C<3>,2|H<1>}	122.2880	0.000	1	122.2880	0.000	1	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CO){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]N){1|C<2>,1|C<3>,1|O<2>,2|H<1>}	121.7150	0.000	1	121.7150	0.000	1	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CO){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.8650	0.018	2	120.8650	0.000	2	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|Br<1>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|O<2>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C){1|C<3>,4|H<1>}	121.2200	0.000	1	121.2200	0.000	1	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|Br<1>,1|C<3>,1|H<1>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|O<2>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,4|H<1>}	121.0180	0.358	2	121.0180	0.128	2	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|O<1>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O){1|C<3>,1|C<4>,3|H<1>}	121.3700	0.000	1	121.3700	0.000	1	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,3|H<1>}	120.2550	0.000	1	120.0175	0.437	6	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|N<3>,3|H<1>}	119.8010	0.777	3	120.0175	0.437	6	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,4|H<1>}	120.8140	0.000	1	120.0175	0.437	6	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|O<2>,3|H<1>}	119.6330	0.000	1	120.0175	0.437	6	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]P)(C[5]O[5]Ir)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|Ir<4>,1|C<3>,1|H<1>,1|P<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]P)(C[5]O[5]Ir){1|C<3>,4|H<1>}	118.9940	0.000	1	118.9940	0.000	1	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|O<2>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,4|H<1>}	121.5770	0.000	1	121.5770	0.000	1	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,4|H<1>}	122.2110	0.103	2	122.2110	0.011	2	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,1|O<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O){1|C<3>,4|H<1>}	123.1740	0.124	2	123.1740	0.015	2	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HN){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|N<2>,3|H<1>}	121.4570	0.000	1	120.7812	0.119	37	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HN){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|N<3>,3|H<1>}	120.7624	0.330	36	120.7812	0.119	37	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HO){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){2|C<3>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|O<2>,3|H<1>}	121.6140	0.000	1	121.6140	0.000	1	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HO){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|O<2>,3|H<1>}	121.0084	0.224	5	121.0084	0.050	5	120.5573	0.624	561	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:I[5]-3:	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]C)	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|I<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]C){1|C<3>,2|C<4>,2|H<1>}	117.4810	0.000	1	117.4810	0.000	1	117.5423	0.064	6	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:I[5]-3:	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]F)	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,1|F<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|I<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]F){1|C<3>,2|C<4>,2|H<1>}	117.6183	0.279	4	117.6183	0.078	4	117.5423	0.064	6	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:I[5]-3:	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]O)	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|I<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]O){1|C<3>,2|C<4>,2|H<1>}	117.3000	0.000	1	117.3000	0.000	1	117.5423	0.064	6	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.1940	0.000	1	120.1940	0.000	1	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|Cl<1>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.3080	0.000	1	120.3080	0.000	1	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.3140	0.000	1	119.8274	0.203	16	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.6405	0.542	2	119.8274	0.203	16	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.8530	0.000	1	119.8274	0.203	16	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.1070	0.000	1	119.8274	0.203	16	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.8448	0.307	4	119.8274	0.203	16	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.7500	0.000	1	119.8274	0.203	16	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.0670	0.000	1	119.8274	0.203	16	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	119.1230	0.000	1	119.8274	0.203	16	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.6257	0.219	3	119.8274	0.203	16	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|H<1>,4|C<3>}	120.4870	0.000	1	119.8274	0.203	16	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.2590	0.000	1	120.2590	0.000	1	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|S<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.6560	0.000	1	119.6560	0.000	1	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2F)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2F){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|F<1>,1|O<1>,2|H<1>}	120.7220	0.000	1	120.3915	0.218	2	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2F)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2F){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|F<1>,1|O<1>,2|H<1>}	120.0610	0.000	1	120.3915	0.218	2	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	119.9500	0.000	1	119.8049	0.595	14	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	119.6910	0.000	1	119.8049	0.595	14	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	119.9510	0.000	1	119.8049	0.595	14	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	118.9090	0.000	1	119.8049	0.595	14	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	120.2910	0.000	1	119.8049	0.595	14	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|S<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|S<1>,3|H<1>}	119.6005	0.327	2	119.8049	0.595	14	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,4|H<1>}	119.9050	0.174	2	119.8049	0.595	14	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	117.7410	0.000	1	119.8049	0.595	14	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	120.2050	0.000	1	119.8049	0.595	14	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	119.9880	0.000	1	119.8049	0.595	14	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,5|H<1>}	120.5410	0.000	1	119.8049	0.595	14	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){3|C<3>,4|H<1>}	120.9910	0.000	1	119.8049	0.595	14	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	120.0590	0.283	2	119.9847	0.057	3	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	119.8360	0.000	1	119.9847	0.057	3	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<4>,2|C<3>,4|H<1>}	119.6352	0.368	4	119.6352	0.135	4	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|H<1>,1|O<1>,2|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	120.7610	0.000	2	120.7610	0.000	2	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N){1|Br<1>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	121.1255	0.207	2	121.1255	0.043	2	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	120.0080	0.000	1	120.0165	0.000	2	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	120.0250	0.000	1	120.0165	0.000	2	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N){1|F<1>,1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	120.1600	0.000	1	120.1600	0.000	1	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N){1|C<4>,1|F<1>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	119.9560	0.000	1	120.2515	0.134	11	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	120.0745	0.250	2	120.2515	0.134	11	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	119.9160	0.000	1	120.2515	0.134	11	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	120.9780	0.000	1	120.2515	0.134	11	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	120.1205	0.230	2	120.2515	0.134	11	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	120.8610	0.000	1	120.2515	0.134	11	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N){1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	120.2025	0.138	2	120.2515	0.134	11	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	120.2600	0.000	1	120.2515	0.134	11	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|Br<1>,1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.3320	0.000	1	120.3320	0.000	1	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|Cl<1>,1|C<4>,1|F<1>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.3050	0.000	1	120.3050	0.000	1	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|C<4>,1|F<1>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.7400	0.000	1	120.2580	0.229	13	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.1655	0.346	2	120.2580	0.229	13	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|C<4>,1|O<1>,1|S<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.5685	0.122	2	120.2580	0.229	13	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	120.3330	0.000	1	120.2580	0.229	13	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.1953	0.261	4	120.2580	0.229	13	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.1330	0.000	1	120.2580	0.229	13	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	119.0160	0.000	1	120.2580	0.229	13	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.8830	0.000	1	120.2580	0.229	13	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|C<3>,1|F<1>,1|O<1>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	118.4560	0.000	1	119.4063	0.553	6	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	119.9660	0.000	1	119.4063	0.553	6	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	119.8135	0.243	2	119.4063	0.553	6	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	118.4640	0.000	1	119.4063	0.553	6	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|O<1>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	119.9250	0.000	1	119.4063	0.553	6	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2S)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2S){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	120.4350	0.000	1	120.4350	0.000	1	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	120.5560	0.000	1	120.5560	0.000	1	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Br<1>,1|C<3>,1|O<1>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	122.0890	0.000	1	122.0890	0.000	1	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.5340	0.000	1	120.7278	0.482	4	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.8790	0.000	1	120.7278	0.482	4	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Br<1>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	121.2490	0.382	2	120.7278	0.482	4	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Br<1>,1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.9650	0.000	1	120.6680	0.376	4	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Br<1>,1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.9023	0.485	3	120.6680	0.376	4	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.3770	0.000	1	120.0507	0.287	4	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	119.5965	0.042	2	120.0507	0.287	4	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,4|H<1>}	120.6330	0.000	1	120.0507	0.287	4	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.8090	0.000	1	120.8090	0.000	1	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|Cl<1>,1|C<3>,1|C<4>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	121.0190	0.000	1	121.0190	0.000	1	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.5030	0.216	2	120.5030	0.047	2	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|F<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,2|C<4>,2|H<1>}	119.7325	0.409	2	119.7325	0.168	2	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C){2|C<4>,3|C<3>,4|H<1>}	120.7010	0.000	1	120.7010	0.000	1	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Br<1>,1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.7680	0.000	1	120.7680	0.000	1	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	121.2900	0.000	1	121.2900	0.000	1	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	121.1710	0.000	1	121.1710	0.000	1	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|B<3>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<3>,1|C<3>,2|H<1>,3|C<4>}	120.5040	0.000	1	119.7114	0.517	131	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|B<3>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<3>,2|C<3>,2|C<4>,2|H<1>}	120.5400	0.000	1	119.7114	0.517	131	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<2>,1|C<3>,1|C<4>,1|O<1>,2|H<1>}	120.1350	0.000	1	119.7114	0.517	131	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.2287	0.486	12	119.7114	0.517	131	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.4681	1.034	23	119.7114	0.517	131	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,4|H<1>}	120.4860	0.000	1	119.7114	0.517	131	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,3|C<4>}	119.2487	0.509	6	119.7114	0.517	131	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	119.6281	0.591	67	119.7114	0.517	131	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){3|H<1>,4|C<3>}	120.1060	0.000	1	119.7114	0.517	131	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	119.5825	0.108	2	119.7114	0.517	131	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.0011	0.715	13	119.7114	0.517	131	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|H<1>,3|C<4>}	120.5350	0.000	1	119.7114	0.517	131	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,4|H<1>}	119.8090	0.338	2	119.7114	0.517	131	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,3|C<4>,3|H<1>}	119.8640	0.000	1	119.3728	0.765	15	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	118.2707	1.652	3	119.3728	0.765	15	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	119.7480	0.041	2	119.3728	0.765	15	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|S<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|S<1>,2|C<4>,2|H<1>}	119.8760	0.000	1	119.3728	0.765	15	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,2|C<4>,2|H<1>}	119.5680	0.275	8	119.3728	0.765	15	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O){1|C<3>,2|H<1>,3|C<4>}	117.9710	0.000	1	119.5678	1.288	4	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O){3|H<1>,4|C<3>}	120.1000	0.482	3	119.5678	1.288	4	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]Pd)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Pd<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]Pd){2|C<3>,2|C<4>,2|H<1>}	120.0343	0.459	9	120.0343	0.211	9	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){2|C<3>,2|C<4>,3|H<1>}	120.0750	0.000	1	120.1850	0.009	3	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|O<1>,1|S<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.2400	0.000	2	120.1850	0.009	3	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|H<1>,1|I<1>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.6935	1.102	2	120.0452	0.993	4	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,1|H<1>,1|I<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	119.3970	0.288	2	120.0452	0.993	4	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	119.6540	0.000	1	119.6540	0.000	1	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,2|C<4>,2|H<1>}	119.8760	0.000	1	119.8760	0.000	1	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|H<1>,1|O<1>,1|O<2>,1|S<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.4490	0.000	1	120.4490	0.000	1	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,1|F<1>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|F<1>,1|O<1>,2|H<1>}	119.9670	0.000	1	119.9670	0.000	1	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|F<1>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|F<1>,1|O<1>,2|H<1>}	120.6080	0.000	1	120.6080	0.000	1	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF){1|F<1>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]C[5]C){1|C<3>,1|C<4>,1|F<1>,1|O<1>,2|H<1>}	121.2850	0.000	1	121.2850	0.000	1	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|F<1>,1|N<2>,2|H<1>}	120.9710	0.000	1	120.0804	0.367	10	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|F<1>,1|O<1>,2|H<1>}	119.9814	0.550	9	120.0804	0.367	10	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF){1|C<3>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|F<1>,1|O<1>,2|H<1>}	120.6050	0.000	1	120.6050	0.000	1	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|Br<1>,1|Si<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Si<4>,2|C<3>,4|H<1>}	120.8660	0.000	1	120.8660	0.000	1	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|Br<1>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<4>,2|C<3>,4|H<1>}	120.3480	0.000	1	120.3480	0.000	1	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){3|C<3>,4|H<1>}	120.3410	0.000	1	120.3410	0.000	1	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,2|C<4>,4|H<1>}	120.0255	0.047	2	120.0255	0.002	2	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	119.6320	0.000	1	119.6320	0.000	1	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	120.2940	0.000	1	120.2940	0.000	1	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|F<1>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	119.6290	0.000	1	119.6290	0.000	1	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|B<3>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|B<3>,2|C<3>,3|H<1>}	120.2890	0.000	1	120.1124	0.897	19	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	118.6010	0.591	2	120.1124	0.897	19	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	119.5665	0.467	4	120.1124	0.897	19	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	118.9810	0.000	1	120.1124	0.897	19	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,4|H<1>}	121.0487	0.962	3	120.1124	0.897	19	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,4|H<1>}	121.2650	0.000	1	120.1124	0.897	19	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){3|C<3>,4|H<1>}	120.6185	0.460	2	120.1124	0.897	19	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,3|H<1>}	120.0520	0.000	1	120.1124	0.897	19	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){3|C<3>,4|H<1>}	120.4243	0.618	4	120.1124	0.897	19	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	119.7800	0.188	5	119.9555	0.213	6	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,3|C<3>,3|H<1>}	120.8330	0.000	1	119.9555	0.213	6	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|S<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<2>,2|C<3>,4|H<1>}	121.1160	0.000	1	119.9873	0.489	7	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|S<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<4>,2|C<3>,4|H<1>}	119.7992	0.538	6	119.9873	0.489	7	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	120.5531	0.781	7	120.5349	0.525	8	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	120.4070	0.000	1	120.5349	0.525	8	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	121.8060	0.000	1	121.8060	0.000	1	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	120.9290	0.000	1	120.9290	0.000	1	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|Cl<1>,1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	120.3330	0.331	2	120.3330	0.110	2	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	121.5150	0.488	2	121.5150	0.238	2	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	119.8297	0.678	3	120.2484	0.189	24	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	120.2930	0.000	1	120.2484	0.189	24	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	120.2887	0.403	18	120.2484	0.189	24	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<2>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<2>,1|C<3>,1|H<1>,1|N<3>,1|O<1>}	120.4760	0.000	1	120.2484	0.189	24	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	120.5080	0.000	1	120.2484	0.189	24	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	120.0350	0.000	1	119.8176	0.225	8	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	119.7983	0.551	6	119.8176	0.225	8	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	119.7160	0.000	1	119.8176	0.225	8	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|C<4>,1|H<1>,1|I<1>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	121.0690	0.000	1	121.0690	0.000	1	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<2>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<2>,1|C<3>,1|O<1>,1|O<2>,2|H<1>}	121.1770	0.000	1	120.6360	0.235	9	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.5684	0.471	8	120.6360	0.235	9	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|Br<1>,1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.0770	1.096	3	120.0770	1.200	3	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.0850	0.000	1	120.0850	0.000	1	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.6175	1.022	2	120.9595	0.512	4	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	121.3015	0.159	2	120.9595	0.512	4	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.4730	0.279	2	120.7520	0.272	3	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|F<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<2>,3|C<3>,3|H<1>}	121.3100	0.000	1	120.7520	0.272	3	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|F<1>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.8740	0.000	1	120.8740	0.000	1	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	121.2900	0.000	1	121.2900	0.000	1	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.8705	0.233	2	120.8705	0.054	2	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	119.6380	0.000	1	120.2454	0.318	38	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.2426	0.543	28	120.2454	0.318	38	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<2>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<2>,1|C<3>,1|H<1>,1|O<1>,1|O<2>}	120.4110	0.000	1	120.2454	0.318	38	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	119.0000	0.000	1	120.2454	0.318	38	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|F<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|F<1>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	120.0080	0.153	2	120.2454	0.318	38	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	120.7083	0.594	3	120.2454	0.318	38	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	120.5570	0.000	1	120.2454	0.318	38	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.7850	0.000	1	120.2454	0.318	38	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|N<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	120.3670	0.000	1	120.0708	0.140	29	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.0287	0.326	25	120.0708	0.140	29	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	119.5970	0.000	1	120.0708	0.140	29	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	120.3180	0.000	1	120.0708	0.140	29	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<2>,2|H<1>,4|C<3>}	121.0550	0.000	1	120.0708	0.140	29	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.4460	2.652	2	119.4460	7.031	2	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|O<1>,1|S<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.5740	0.000	1	120.5740	0.000	1	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]I)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|I<1>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]I)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.4255	0.006	2	120.4255	0.000	2	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.2490	0.000	1	120.2490	0.000	1	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.2650	0.224	3	120.2650	0.050	3	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.6510	0.000	1	120.7965	1.460	2	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	119.9420	0.000	1	120.7965	1.460	2	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CS)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CS){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	119.4330	0.000	1	119.7820	0.096	3	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CS)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CS){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	119.9565	0.095	2	119.7820	0.096	3	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CS)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CS){1|C<3>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	120.5880	0.000	1	120.5880	0.000	1	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]FF)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]FF){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|F<1>,2|H<1>}	120.9470	0.092	2	120.9470	0.008	2	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]FF)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]FF){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<2>,2|C<3>,2|F<1>,2|H<1>}	121.7130	0.000	1	121.7130	0.000	1	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]FF)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]FF){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|F<1>,2|H<1>}	121.8475	0.049	2	121.8475	0.002	2	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]FF)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]FF){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,2|F<1>,2|H<1>}	122.3350	0.000	1	122.3350	0.000	1	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6,6]C[6a])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6,6]C[6a])(H){1|C<3>,1|O<2>,2|H<1>,2|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(N[5]C[5]C){1|C<3>,1|O<2>,5|H<1>}	120.8990	0.000	1	120.8990	0.000	1	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(N[5]C[5]C){1|C<3>,6|H<1>}	120.8480	0.000	1	120.8480	0.000	1	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]2){1|C<4>,3|C<3>,6|H<1>}	120.0260	0.000	1	120.0260	0.000	1	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,4|H<1>}	119.9550	0.231	2	120.2143	0.228	3	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,6|H<1>}	120.7330	0.000	1	120.2143	0.228	3	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,2|C<3>,4|H<1>}	120.4360	0.000	1	120.4360	0.000	1	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){2|C<3>,5|H<1>}	120.2550	0.000	1	120.2550	0.000	1	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C[6])(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C[6])(N[5]C[5]C){3|C<3>,6|H<1>}	120.0470	0.000	1	120.0470	0.000	1	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<2>,1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,6|H<1>}	120.6010	0.093	3	120.6010	0.009	3	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,6|H<1>}	119.9320	0.870	2	119.9913	0.389	3	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){2|C<3>,5|H<1>}	120.1100	0.000	1	119.9913	0.389	3	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|F<1>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,4|H<1>}	119.8000	0.000	1	119.8000	0.000	1	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C){1|C<3>,6|H<1>}	120.3320	0.000	1	120.4348	0.154	13	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C){1|C<3>,6|H<1>}	119.6440	0.000	1	120.4348	0.154	13	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C){1|C<3>,1|C<4>,5|H<1>}	120.5218	0.355	10	120.4348	0.154	13	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C){1|C<3>,6|H<1>}	120.4580	0.000	1	120.4348	0.154	13	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]S){1|C<3>,6|H<1>}	119.6680	0.000	1	119.7955	0.033	2	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|S<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]S){1|C<3>,6|H<1>}	119.9230	0.000	1	119.7955	0.033	2	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	120.2980	0.000	1	120.2980	0.000	1	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]B)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|B<4>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]B){1|C<3>,5|H<1>}	119.3500	0.000	1	119.3500	0.000	1	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	119.0830	0.000	1	120.0317	0.175	31	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,6|H<1>}	119.8488	0.242	6	120.0317	0.175	31	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,5|H<1>}	120.7100	0.380	3	120.0317	0.175	31	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,5|H<1>}	119.7122	0.306	4	120.0317	0.175	31	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,5|H<1>}	119.8125	0.114	2	120.0317	0.175	31	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,4|H<1>}	120.1400	0.000	1	120.0317	0.175	31	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,6|H<1>}	120.1421	0.341	8	120.0317	0.175	31	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,5|H<1>}	120.1545	0.270	6	120.0317	0.175	31	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,5|H<1>}	120.4802	0.320	4	119.6768	0.228	21	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|C<3>,1|O<1>,3|H<1>}	119.3420	0.000	1	119.6768	0.228	21	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,4|H<1>}	119.4968	0.263	16	119.6768	0.228	21	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]N)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]N){1|C<3>,1|C<4>,5|H<1>}	119.2868	0.304	5	119.5136	0.207	11	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]N)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]N){1|C<3>,6|H<1>}	119.4537	0.642	3	119.5136	0.207	11	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]N)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]N){1|C<3>,6|H<1>}	119.9517	0.131	3	119.5136	0.207	11	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]P)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|P<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]P){1|C<3>,6|H<1>}	119.8900	0.165	2	119.8900	0.027	2	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|C<4>,5|H<1>}	119.5090	0.751	4	119.5305	0.348	6	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|S<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|N<3>,5|H<1>}	119.7250	0.000	1	119.5305	0.348	6	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|S<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){2|C<3>,5|H<1>}	119.4220	0.000	1	119.5305	0.348	6	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Ir)(N[5]C[5]C[6])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Ir<8>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Ir)(N[5]C[5]C[6]){1|C<3>,1|N<2>,1|N<3>,6|H<1>}	118.5200	0.000	1	118.5200	0.000	1	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Rh)(N[5]C[5]C[6])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Rh<8>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Rh)(N[5]C[5]C[6]){1|C<3>,1|N<2>,1|N<3>,6|H<1>}	118.8840	0.000	1	119.5413	0.765	3	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Rh)(N[5]C[5]C[6])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Rh<8>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Rh)(N[5]C[5]C[6]){1|N<3>,2|C<3>,6|H<1>}	119.8700	0.939	2	119.5413	0.765	3	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|H<1>,1|I<1>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H){1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,4|H<1>}	120.8210	0.000	1	120.8210	0.000	1	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,6|H<1>}	120.4620	0.000	1	120.4620	0.000	1	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<2>,1|S<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|C<4>,5|H<1>}	120.3750	0.243	3	120.3750	0.059	3	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]S)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|S<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,6|H<1>}	120.1375	0.319	2	120.1375	0.102	2	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	120.3240	0.000	1	120.3240	0.000	1	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	120.9080	0.000	1	120.2363	0.510	6	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	120.4520	0.000	1	120.2363	0.510	6	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,1|O<2>,1|S<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|N<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|N<4>,1|O<2>,4|H<1>}	120.2210	1.298	2	120.2363	0.510	6	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,1|S<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|N<3>,5|H<1>}	119.7980	0.000	1	120.2363	0.510	6	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|N<3>,2|C<3>,3|H<1>}	119.8180	0.000	1	120.2363	0.510	6	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|O<2>,4|H<1>}	119.9220	0.144	2	119.9220	0.021	2	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	119.5733	0.091	3	120.2494	0.532	7	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	120.8615	0.602	2	120.2494	0.532	7	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|O<2>,4|H<1>}	120.2230	0.000	1	120.2494	0.532	7	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,2|O<2>,3|H<1>}	121.0800	0.000	1	120.2494	0.532	7	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	119.5960	0.000	1	119.5960	0.000	1	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	120.2960	0.072	3	120.1139	0.097	7	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|S<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|O<2>,5|H<1>}	120.0257	0.431	3	120.1139	0.097	7	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|O<2>,2|C<3>,3|H<1>}	119.8320	0.000	1	120.1139	0.097	7	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<2>,2|C<3>,4|H<1>}	121.1450	0.000	1	121.1450	0.000	1	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HP)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HP){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|P<4>,2|C<3>,3|H<1>}	120.2120	0.000	1	120.2120	0.000	1	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HS)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HS){1|C<3>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|S<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,1|S<4>,3|H<1>}	120.0960	0.000	1	120.0960	0.000	1	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HS)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HS){1|C<3>,1|S<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|S<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|S<2>,5|H<1>}	120.2440	0.000	1	120.2440	0.000	1	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]NN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]NN){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,3|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|N<3>}	119.2120	0.000	1	119.8560	0.829	2	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]NN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]NN){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,3|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|N<3>}	120.5000	0.000	1	119.8560	0.829	2	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]NO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]NO){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,1|O<2>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	119.8790	0.000	1	119.8790	0.000	1	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]NS)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]NS){1|C<3>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,1|O<1>,1|S<2>,2|H<1>}	119.9830	0.000	2	119.9830	0.000	2	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]OO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]OO){1|C<3>,1|F<1>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	120.4085	0.192	2	120.4085	0.037	2	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]SS)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]SS){1|C<3>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|S<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|S<2>}	119.0390	0.000	1	119.0390	0.000	1	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]O[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]O[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]O[5]C){1|C<3>,1|C<4>,3|H<1>}	120.2520	0.000	1	120.2520	0.000	1	120.0489	0.491	641	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-3:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5]Ba)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Ba<10>,1|C<3>,1|H<1>,1|O<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5]Ba){1|C<3>,2|C<4>,4|H<1>}	119.9942	0.637	10	119.6495	0.278	36	119.4961	0.364	45	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-3:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5]Ba)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Ba<8>,1|C<3>,1|H<1>,1|O<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5]Ba){1|C<3>,2|C<4>,4|H<1>}	119.5169	0.421	26	119.6495	0.278	36	119.4961	0.364	45	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-3:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5]Mg)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Mg<5>,1|C<3>,1|H<1>,1|O<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5]Mg){1|C<3>,2|C<4>,4|H<1>}	118.3840	0.000	1	118.5510	0.117	5	119.4961	0.364	45	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-3:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5]Mg)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Mg<5>,1|C<3>,1|H<1>,1|O<4>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5]Mg){1|C<3>,2|C<4>,4|H<1>}	118.4270	0.000	1	118.5510	0.117	5	119.4961	0.364	45	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-3:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5]Mg)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Mg<6>,1|C<3>,1|H<1>,1|O<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5]Mg){1|C<3>,2|C<4>,4|H<1>}	118.6480	0.445	3	118.5510	0.117	5	119.4961	0.364	45	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-3:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5]Sr)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Sr<8>,1|C<3>,1|H<1>,1|O<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5]Sr){1|C<3>,2|C<4>,4|H<1>}	119.2973	0.340	4	119.2973	0.115	4	119.4961	0.364	45	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(P[5]N[5]O)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|P<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(P[5]N[5]O){2|C<3>,4|H<1>}	120.6820	0.000	1	120.6820	0.000	1	120.2520	0.200	3	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]N[5]C)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|P<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]N[5]C){2|C<3>,4|H<1>}	119.7890	0.000	1	119.7890	0.000	1	120.2520	0.200	3	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]N[5]Cl)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|Cl<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|P<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]N[5]Cl){2|C<3>,4|H<1>}	120.2850	0.000	1	120.2850	0.000	1	120.2520	0.200	3	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-3:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]O)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|S<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]O){1|C<3>,1|C<4>,4|H<1>}	118.9240	0.000	1	118.9240	0.000	1	118.9240	0.000	1	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:I[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(I[5]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]CC){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|I<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(I[5]C[6a]O[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	117.1120	0.000	1	117.1120	0.000	1	117.1120	0.000	1	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]B[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]B[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]B[5]HH){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]B[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	119.0445	0.035	2	119.0445	0.001	2	120.1473	0.688	45	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	120.0880	0.000	1	120.0880	0.000	1	120.1473	0.688	45	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	120.4860	0.000	1	120.4860	0.000	1	120.1473	0.688	45	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	120.5330	0.000	1	120.5330	0.000	1	120.1473	0.688	45	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	121.1050	0.000	1	121.1050	0.000	1	120.1473	0.688	45	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){4|H<1>,5|C<3>}	120.8920	0.000	1	120.8920	0.000	1	120.1473	0.688	45	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	120.7940	0.523	2	120.7940	0.274	2	120.1473	0.688	45	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,4|H<1>}	120.5140	0.000	1	120.5140	0.000	1	120.1473	0.688	45	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Ru<9>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Ru<9>,1|C<3>,1|N<2>,1|N<3>,4|H<1>}	119.0550	0.000	1	119.0550	0.000	1	120.1473	0.688	45	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5a]C[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5a]C[5])(C[6a]C[6a]C){1|C<3>,1|N<2>,1|N<3>,6|H<1>}	120.9250	0.000	1	120.9250	0.000	1	120.1473	0.688	45	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,6|H<1>}	119.5370	0.000	1	119.5370	0.000	1	120.1473	0.688	45	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	120.8850	0.301	2	120.5885	0.310	10	120.1473	0.688	45	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C){1|C<3>,2|N<2>,6|H<1>}	119.6380	0.000	1	120.5885	0.310	10	120.1473	0.688	45	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C){1|N<2>,2|C<3>,6|H<1>}	121.1940	0.028	2	120.5885	0.310	10	120.1473	0.688	45	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C){3|C<3>,6|H<1>}	120.8495	0.073	2	120.5885	0.310	10	120.1473	0.688	45	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C){1|C<3>,1|C<4>,2|N<2>,5|H<1>}	120.2680	0.034	2	120.5885	0.310	10	120.1473	0.688	45	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C){1|N<2>,2|C<3>,6|H<1>}	119.8540	0.000	1	120.5885	0.310	10	120.1473	0.688	45	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,3|C<3>,3|H<1>}	119.2440	0.729	4	119.5729	0.491	17	120.1473	0.688	45	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,4|H<1>}	119.7305	0.264	4	119.5729	0.491	17	120.1473	0.688	45	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,6|H<1>}	119.8915	0.070	2	119.5729	0.491	17	120.1473	0.688	45	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,6|H<1>}	119.4802	0.990	6	119.5729	0.491	17	120.1473	0.688	45	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,5|H<1>}	120.1770	0.000	1	119.5729	0.491	17	120.1473	0.688	45	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]O){1|C<3>,2|N<2>,6|H<1>}	120.6070	0.000	1	120.6070	0.000	1	120.1473	0.688	45	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|S<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]S){1|C<3>,2|N<2>,6|H<1>}	120.8110	0.000	1	121.1737	0.139	3	120.1473	0.688	45	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|S<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]S){1|C<3>,2|N<2>,6|H<1>}	121.3550	0.283	2	121.1737	0.139	3	120.1473	0.688	45	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,1|I<1>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H){1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,4|H<1>}	121.0650	0.000	1	121.0650	0.000	1	120.1473	0.688	45	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]HH){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|P<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]N[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	120.2950	0.000	1	120.2950	0.000	1	120.2950	0.000	1	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5]B[5x3,5x5,20x6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|B<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[5]B[5x3,5x5,20x6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<6>,2|C<4>,3|H<1>,4|B<6>}	120.8410	0.000	1	120.8410	0.000	1	120.7535	0.015	2	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5]C[5x3,5x5,20x6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<6>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5]C[5x3,5x5,20x6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<6>,4|B<6>,5|H<1>}	120.6660	0.000	1	120.6660	0.000	1	120.7535	0.015	2	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]H)(H)	C[5,6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[6a]C[5])(C[5]O[5]O)	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[6a]C[5])(C[5]O[5]O){1|C<4>,2|H<1>,3|C<3>}	121.9840	0.402	2	121.9840	0.161	2	121.9840	0.161	2	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6,6a]O)(H)	C[5,6a](C[6,6a]C[6,6a]O[6])(C[5,6a]C[6a]C[5])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6,6a]O)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[6,6a]C[6,6a]O[6])(C[5,6a]C[6a]C[5])(C[5]C[5]O){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	122.3890	0.000	1	122.3890	0.000	1	122.3890	0.000	1	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]2)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]2){2|C<4>,4|H<1>,5|C<3>}	121.2810	0.000	1	121.2810	0.000	1	121.7472	0.201	23	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]Br)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]Br)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]O){3|C<3>,6|H<1>}	121.0105	0.211	2	121.0105	0.045	2	121.7472	0.201	23	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]2)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]2){1|C<4>,5|C<3>,5|H<1>}	122.4070	0.000	1	121.9481	0.128	13	121.7472	0.201	23	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]2)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]2){2|C<4>,4|C<3>,5|H<1>}	121.8440	0.330	10	121.9481	0.128	13	121.7472	0.201	23	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]2)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]2){5|H<1>,6|C<3>}	122.2390	0.263	2	121.9481	0.128	13	121.7472	0.201	23	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]C[6])	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]C[6]){1|C<4>,5|C<3>,5|H<1>}	121.9545	0.763	2	121.8427	0.329	3	121.7472	0.201	23	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]C[6])	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]C[6]){1|O<2>,5|C<3>,5|H<1>}	121.6190	0.000	1	121.8427	0.329	3	121.7472	0.201	23	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){2|H<1>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]H){1|C<4>,3|C<3>,4|H<1>}	121.6240	0.000	1	121.6240	0.000	1	121.7472	0.201	23	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){2|H<1>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]N){3|C<3>,5|H<1>}	121.3110	0.000	1	121.3110	0.000	1	121.7472	0.201	23	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]O){1|O<2>,3|C<3>,5|H<1>}	121.4200	0.000	1	121.4200	0.000	1	121.7472	0.201	23	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|C<4>,3|C<3>,4|H<1>}	121.6760	0.000	1	121.6760	0.000	1	121.7472	0.201	23	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]S)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]S){1|C<4>,3|C<3>,5|H<1>}	119.6545	0.405	2	119.7053	0.090	3	119.7053	0.090	3	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]S)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]S){4|C<3>,5|H<1>}	119.8070	0.000	1	119.7053	0.090	3	119.7053	0.090	3	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5a,6a]H)(C[5]C[5,6]HH)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5a,6a]H)(C[5]C[5,6]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(H){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){2|C<3>,2|C<4>,5|H<1>}	121.7630	0.000	1	121.7630	0.000	1	121.7630	0.000	1	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]H)(C[5]C[5,6a]HH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]H)(C[5]C[5,6a]HH){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(H){1|S<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){1|S<2>,3|C<3>,4|H<1>}	121.1140	0.117	2	121.1140	0.014	2	121.1140	0.014	2	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(C[5]O[5]HH)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[6a]C[5a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(C[5]O[5]HH){1|N<2>,1|O<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[6a]C[5a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]O[5]O){1|N<3>,3|C<3>,3|H<1>}	122.1650	0.000	1	122.1650	0.000	1	122.1650	0.000	1	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]O[5]CH)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]O[5]CH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]C[5])(H){1|H<1>,1|O<2>,3|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]O[5]O){1|C<4>,2|C<3>,2|H<1>}	121.1350	0.000	1	121.1350	0.000	1	121.1350	0.000	1	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6,6a]-3:C[5,6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6,6a]H)(C[5]C[5]CO)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[6a,6a]C[6,6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6,6a]H)(C[5]C[5]CO){1|N<3>,1|O<1>,2|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[5,6a]C[5,6a]C[5])(H){1|O<2>,2|C<4>,5|C<3>}	C[5,6a](C[6a,6a]C[6,6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]O){1|H<1>,4|C<3>,4|O<2>}	123.4010	0.000	1	123.8415	0.388	2	123.7813	0.205	3	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6,6a]-3:C[5,6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6,6a]H)(C[5]C[5]CO)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[6a,6a]C[6,6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6,6a]H)(C[5]C[5]CO){1|N<3>,1|O<1>,2|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[5,6a]C[5,6a]C[5])(H){1|O<2>,3|C<4>,4|C<3>}	C[5,6a](C[6a,6a]C[6,6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]O){1|H<1>,4|C<3>,4|O<2>}	124.2820	0.000	1	123.8415	0.388	2	123.7813	0.205	3	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6,6a]-3:C[5,6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6,6a]H)(C[5]C[5]OO)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[6a,6a]C[6,6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6,6a]H)(C[5]C[5]OO){1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[5,6a]C[5,6a]C[5])(H){2|C<4>,2|O<2>,4|C<3>}	C[5,6a](C[6a,6a]C[6,6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]O){1|H<1>,4|C<3>,4|O<2>}	123.6610	0.000	1	123.6610	0.000	1	123.7813	0.205	3	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,6a]CH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,6a]CH){5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5]){1|C<4>,3|H<1>,6|C<3>}	120.0550	0.000	1	120.0550	0.000	1	120.0550	0.000	1	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]CH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]CH){3|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]C){1|C<4>,2|C<3>,4|H<1>}	121.0310	0.000	1	121.0310	0.000	1	120.8990	0.239	5	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]HH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|N<3>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O){1|C<4>,2|C<3>,3|H<1>}	120.5035	0.626	2	120.5035	0.392	2	120.8990	0.239	5	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]CC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]C)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]CC){1|O<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|O<1>,2|C<4>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]C)(C[5]O[5]O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	121.1390	0.000	1	121.1390	0.000	1	120.8990	0.239	5	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]CH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]CH){1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]O[5]O){1|C<4>,2|C<3>,2|H<1>}	121.3180	0.000	1	121.3180	0.000	1	120.8990	0.239	5	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(C[5]C[5]CC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(C[5]C[5]CC){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){2|C<3>,2|N<3>,4|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(N[5]C[5]C){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	120.0190	0.000	1	120.0190	0.000	1	119.9710	0.005	2	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(N[5]C[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH){1|S<4>,2|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(N[5]C[5]S){2|C<3>,5|H<1>}	119.9230	0.000	1	119.9230	0.000	1	119.9710	0.005	2	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){3|H<1>,5|C<3>}	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]){4|H<1>,6|C<3>}	121.5965	0.013	2	121.5965	0.000	2	121.5965	0.000	2	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]C[5]HW)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]C[5]HW){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|W<6>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|W<6>,3|H<1>,4|C<3>}	121.4220	0.000	1	121.4220	0.000	1	121.3230	0.020	2	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]C[5]OO)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]C[5]OO){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	121.2240	0.000	1	121.2240	0.000	1	121.3230	0.020	2	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]Cr)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]C[5]CC){1|Cr<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]Cr){2|C<3>,2|C<4>,2|H<1>}	123.1640	0.000	1	123.1640	0.000	1	122.8169	0.175	7	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]Hf)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]C[5]CC){1|Hf<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]Hf){2|C<3>,2|C<4>,2|H<1>}	122.8880	0.000	1	122.8880	0.000	1	122.8169	0.175	7	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]Mo)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]C[5]CC){1|Mo<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]Mo){2|C<3>,2|C<4>,2|H<1>}	123.1625	0.432	2	123.1625	0.187	2	122.8169	0.175	7	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]Pt)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]C[5]CC){1|Pt<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]Pt){2|C<3>,2|C<4>,2|H<1>}	122.2250	0.000	1	122.2250	0.000	1	122.8169	0.175	7	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]Rh)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]C[5]CC){1|Rh<8>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]Rh){2|C<3>,2|C<4>,2|H<1>}	122.6400	0.000	1	122.6400	0.000	1	122.8169	0.175	7	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]Ru)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]C[5]CC){1|Ru<9>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]Ru){2|C<3>,2|C<4>,2|H<1>}	122.4760	0.000	1	122.4760	0.000	1	122.8169	0.175	7	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]B[5]CC)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]P[5])(N[5]C[6a]B[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]B[5]CC){1|C<4>,1|H<1>,2|C<3>,2|F<1>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]C)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]P[5])(N[5]C[6a]B[5])(C[6a]C[6a]H){2|C<4>,2|F<1>,2|H<1>,3|C<3>}	121.4370	0.000	1	121.4370	0.000	1	121.4370	0.000	1	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5,6a]H)(S[5]C[5,5]OO)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]S[5])(H)	C[5,6a](C[5,5]C[5,5]Si[5])(C[5,6a]C[6a]S[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5,6a]H)(S[5]C[5,5]OO){1|Si<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]S[5])(H){1|Si<4>,1|S<4>,2|O<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]Si[5])(C[5,6a]C[6a]S[5])(C[6a]C[5,6a]H){1|H<1>,1|S<4>,2|C<4>,2|O<1>,3|C<3>}	124.1200	0.000	1	124.1200	0.000	1	124.1200	0.000	1	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5a]C[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,2|O<1>,3|C<3>}	122.4730	0.000	1	123.0828	0.328	6	123.2053	0.318	21	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5a]C[5])(C[6a]C[6a]H){1|S<2>,2|H<1>,2|O<1>,3|C<3>}	123.0800	0.000	1	123.0828	0.328	6	123.2053	0.318	21	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5a]C[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	123.2360	0.626	4	123.0828	0.328	6	123.2053	0.318	21	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<4>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,2|C<4>,2|O<1>,3|C<3>}	122.6640	0.000	1	123.3444	0.271	9	123.2053	0.318	21	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	123.4295	0.485	8	123.3444	0.271	9	123.2053	0.318	21	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	122.5230	0.404	2	122.9730	0.689	3	123.2053	0.318	21	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5]N[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	123.8730	0.000	1	122.9730	0.689	3	123.2053	0.318	21	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	123.0720	0.000	1	123.0720	0.000	1	123.2053	0.318	21	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	123.3620	0.827	2	123.3620	0.684	2	123.2053	0.318	21	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]2)(H){1|H<1>,2|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	123.6380	0.034	2	123.6380	0.001	2	122.6868	0.281	245	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]2){1|S<4>,2|H<1>,2|O<1>,3|C<3>}	122.8000	0.000	1	122.8000	0.000	1	122.6868	0.281	245	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]C){2|C<3>,2|H<1>,2|O<1>}	123.5395	0.721	2	123.5395	0.519	2	122.6868	0.281	245	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	123.6423	0.511	3	123.4030	0.403	4	122.6868	0.281	245	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]H){2|C<3>,2|H<1>,2|O<1>}	122.6850	0.000	1	123.4030	0.403	4	122.6868	0.281	245	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,2|O<1>}	121.1850	0.000	1	121.1850	0.000	1	122.6868	0.281	245	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]CO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]CO){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	124.6140	0.000	1	124.6140	0.000	1	122.6868	0.281	245	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]CO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]CO){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	123.3740	0.000	1	123.3740	0.000	1	122.6868	0.281	245	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,2|H<1>,2|O<1>}	122.7580	0.000	1	123.1803	0.229	8	122.6868	0.281	245	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,2|O<1>,3|H<1>}	123.3875	0.006	2	123.1803	0.229	8	122.6868	0.281	245	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	123.6400	0.373	2	123.1803	0.229	8	122.6868	0.281	245	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,2|H<1>,2|O<1>}	122.8763	0.500	3	123.1803	0.229	8	122.6868	0.281	245	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,2|H<1>,2|O<1>}	123.0630	0.000	1	123.0538	0.058	11	122.6868	0.281	245	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,2|H<1>,2|O<1>}	123.0529	0.253	10	123.0538	0.058	11	122.6868	0.281	245	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|Br<1>,1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Br<1>,1|C<3>,2|H<1>,2|O<1>}	122.4530	0.259	3	122.6079	0.219	208	122.6868	0.281	245	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	122.6148	0.455	42	122.6079	0.219	208	122.6868	0.281	245	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|I<1>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|I<1>,2|H<1>,2|O<1>}	122.7453	0.427	9	122.6079	0.219	208	122.6868	0.281	245	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|O<1>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|S<2>,2|H<1>,2|O<1>}	122.5700	0.000	1	122.6079	0.219	208	122.6868	0.281	245	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,2|H<1>,2|O<1>}	122.6629	0.370	73	122.6079	0.219	208	122.6868	0.281	245	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,2|O<1>,3|H<1>}	122.4749	0.549	25	122.6079	0.219	208	122.6868	0.281	245	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,2|H<1>,2|O<1>}	122.4981	0.286	16	122.6079	0.219	208	122.6868	0.281	245	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|Mn<6>,1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Mn<6>,1|C<3>,2|H<1>,2|O<1>}	122.5330	0.055	2	122.6079	0.219	208	122.6868	0.281	245	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|Ni<6>,1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|F<1>,1|N<3>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Ni<6>,1|C<3>,1|F<1>,1|H<1>,2|O<1>}	122.8770	0.000	1	122.6079	0.219	208	122.6868	0.281	245	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|Ni<6>,1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Ni<6>,1|C<3>,2|H<1>,2|O<1>}	123.3550	0.000	1	122.6079	0.219	208	122.6868	0.281	245	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){2|C<3>,2|H<1>,2|O<1>}	122.6612	0.339	9	122.6079	0.219	208	122.6868	0.281	245	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|Pd<3>,1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Pd<3>,1|C<3>,2|H<1>,2|O<1>}	122.6255	0.258	2	122.6079	0.219	208	122.6868	0.281	245	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|Pd<4>,1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Pd<4>,1|C<3>,2|H<1>,2|O<1>}	122.4751	0.868	18	122.6079	0.219	208	122.6868	0.281	245	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|Pd<4>,1|C<3>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Pd<4>,1|C<3>,2|H<1>,2|O<1>}	122.7840	0.395	6	122.6079	0.219	208	122.6868	0.281	245	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]S)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]S){1|C<3>,2|H<1>,2|O<1>}	122.7610	0.511	3	122.7610	0.261	3	122.6868	0.281	245	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|O<1>}	124.0690	0.000	1	124.0690	0.000	1	122.6868	0.281	245	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]O[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]O[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]O[5]OO){1|C<3>,1|N<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]O[5]N){1|C<3>,2|H<1>,2|O<1>}	122.2510	0.000	2	122.2510	0.000	2	122.6868	0.281	245	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H)(S[5]C[5,6a]OO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]S[5])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H)(S[5]C[5,6a]OO){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]S[5])(H){1|H<1>,2|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a,6a]H){1|H<1>,2|O<1>,5|C<3>}	123.6075	0.588	2	123.6075	0.345	2	123.6075	0.345	2	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:Si[5]-4:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(Si[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]Si[5])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(Si[5]C[5]CC){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[5,6a]C[5,6a]C[5])(H){1|Si<4>,1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H)(C[5]C[5]H){1|Si<4>,1|H<1>,2|C<3>,2|C<4>}	119.9580	0.000	1	119.9580	0.000	1	119.9580	0.000	1	120.6456	1.730	1760	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:B[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]N[5]HH){1|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,6|H<1>}	117.4270	0.000	1	117.4270	0.000	1	118.1710	1.107	2	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:B[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]O[5]OO)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]O[5]OO){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,3|O<2>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,2|H<1>,2|O<2>}	118.9150	0.000	1	118.9150	0.000	1	118.1710	1.107	2	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:B[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(B[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(P[5]O[5]CC)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(B[5]O[5]HH){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,1|P<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(P[5]O[5]CC){1|C<3>,4|H<1>}	116.5680	0.000	1	116.5680	0.000	1	116.5680	0.000	1	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5,6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Br)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(Br)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Br)(C[5]C[5]CC){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])2(Br){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)(C[5]C[5]CC){1|Br<1>,1|C<3>,2|H<1>,3|C<4>}	119.1330	0.006	2	119.1330	0.000	2	119.1330	0.000	2	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Al)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|Al<4>,1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])2(H){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Al)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	120.6635	0.149	4	120.6635	0.022	4	121.1570	0.187	74	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]B)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|B<3>,1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])2(H){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]B)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	121.1630	0.348	5	121.1630	0.121	5	121.1570	0.187	74	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]B[3])(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|B<4>,1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])2(H){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]B[3])(C[5]C[5]CC){1|B<4>,1|C<3>,1|H<2>,3|C<4>,4|H<1>}	121.5390	0.147	4	121.2824	0.147	8	121.1570	0.187	74	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]B[3])(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|B<4>,1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])2(H){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]B[3])(C[5]C[5]CC){1|B<5>,1|C<3>,1|H<2>,3|C<4>,4|H<1>}	120.9470	0.566	2	121.2824	0.147	8	121.1570	0.187	74	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]B[3])(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|B<5>,1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])2(H){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]B[3])(C[5]C[5]CC){1|B<4>,1|C<3>,1|H<2>,3|C<4>,5|H<1>}	121.1045	0.302	2	121.2824	0.147	8	121.1570	0.187	74	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Ge)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|Ge<3>,1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])2(H){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Ge)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	121.2413	0.292	6	121.3747	0.089	10	121.1570	0.187	74	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Ge)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|Ge<4>,1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])2(H){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Ge)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	121.5747	0.191	4	121.3747	0.089	10	121.1570	0.187	74	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])2(H){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	121.4360	0.262	8	121.4372	0.065	10	121.1570	0.187	74	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|C<3>,1|O<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])2(H){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	121.4420	0.327	2	121.4372	0.065	10	121.1570	0.187	74	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]P)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|C<3>,1|P<2>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])2(H){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]P)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	121.4945	0.012	2	121.3858	0.094	4	121.1570	0.187	74	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]P)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|C<3>,1|P<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])2(H){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]P)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	121.2770	0.484	2	121.3858	0.094	4	121.1570	0.187	74	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Si)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|Si<3>,1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])2(H){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Si)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	121.0060	0.471	23	121.0007	0.204	25	121.1570	0.187	74	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Si)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|Si<4>,1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])2(H){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Si)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	120.9405	0.097	2	121.0007	0.204	25	121.1570	0.187	74	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]HH){1|C<3>,1|N<4>,1|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]HH){1|C<3>,1|N<4>,1|O<2>,4|H<1>}	121.7530	0.530	2	121.7530	0.281	2	121.1570	0.187	74	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])2(H){1|C<3>,4|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	120.7360	0.119	2	120.7360	0.014	2	121.1570	0.187	74	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]HH){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])2(H){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]HH){1|C<3>,2|C<4>,3|H<1>}	120.8083	0.404	4	120.8083	0.163	4	121.1570	0.187	74	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5,6a]-3:H-1:	C[6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[6a]C[5,6a]B[3,3])(C[5,6a]C[6a]C[5])(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|B<5>,1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])2(H){1|C<3>,8|C<4>}	C[5,6a](C[6a]C[5,6a]B[3,3])(C[5,6a]C[6a]C[5])(C[5]C[5]CC){1|B<5>,1|C<3>,2|H<2>,3|C<4>,4|H<1>}	121.1420	0.436	12	121.1420	0.190	12	121.1930	0.195	14	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5,6a]-3:H-1:	C[6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[6a]C[5,6a]Ge[4])(C[5,6a]C[6a]C[5])(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|Ge<4>,1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])2(H){1|C<3>,8|C<4>}	C[5,6a](C[6a]C[5,6a]Ge[4])(C[5,6a]C[6a]C[5])(C[5]C[5]CC){2|C<3>,2|O<2>,3|C<4>,3|H<1>}	121.4990	0.478	2	121.4990	0.228	2	121.1930	0.195	14	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]O[6])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]C[5]HH){1|C<3>,1|O<2>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]O[6])(H){2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,5|H<1>}	119.9090	0.000	1	119.9090	0.000	1	120.8570	1.797	2	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]O)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]O[5]HH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]O)(C[5]O[5]HH){2|C<3>,3|H<1>}	121.8050	0.000	1	121.8050	0.000	1	120.8570	1.797	2	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a,6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a,6a]2)(H){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	120.5390	0.000	1	120.5060	0.002	2	120.5048	0.215	4	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a,6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a,6a]2)(H){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH){2|C<3>,2|C<4>,3|H<1>}	120.4730	0.000	1	120.5060	0.002	2	120.5048	0.215	4	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a,6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]HH){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a,6a]2)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]HH){2|C<3>,3|H<1>}	120.5035	0.801	2	120.5035	0.642	2	120.5048	0.215	4	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a,6a]-3:H-1:	C[6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]S[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a,6a]2)(H)	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]S[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]S[5]HH){2|H<1>,2|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a,6a]2)(H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]S[5]HH){2|O<1>,3|H<1>,4|C<3>}	120.6065	0.269	2	120.6065	0.073	2	120.6065	0.073	2	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]BrH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(Br)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]BrH){2|Br<1>,1|C<3>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(Br){2|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HH){4|Br<1>,1|C<3>,2|H<1>}	120.7510	0.000	1	120.7510	0.000	1	119.1467	2.235	3	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(Br)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]BrH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HH){4|Br<1>,1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(Br){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]BrH){2|Br<1>,1|C<3>,1|O<2>,3|H<1>}	118.8960	0.000	1	118.8960	0.000	1	119.1467	2.235	3	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HH){1|Br<1>,1|C<3>,1|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Br){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){2|Br<1>,1|C<3>,4|H<1>}	117.7930	0.000	1	117.7930	0.000	1	119.1467	2.235	3	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]C[5]HH){1|C<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|Cl<1>,2|H<1>,4|C<3>}	118.5585	0.006	2	118.5585	0.000	2	118.7673	0.131	3	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]HH){1|C<2>,1|C<3>,1|S<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|Si<4>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]HH){1|Cl<1>,1|Si<4>,1|C<3>,1|S<4>,2|H<1>}	119.1850	0.000	1	119.1850	0.000	1	118.7673	0.131	3	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]C[5]FF)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]C[5]FF){1|C<3>,1|C<4>,1|F<1>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(F){1|C<3>,2|F<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|H<1>,2|C<4>,3|F<1>}	120.2010	0.000	1	120.2010	0.000	1	120.2010	0.000	1	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]C[5]CH)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<2>,7|H<1>}	120.5710	0.000	1	120.5710	0.000	1	120.5710	0.000	1	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6,6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6,6a]2)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6,6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6,6a]2)(C[5]O[5]HH){1|C<4>,3|C<3>,3|H<1>}	121.7780	0.205	3	121.7780	0.042	3	121.7780	0.042	3	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:B[5]-4:	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]N[5]HH)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|N<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]N[5]HH){1|C<3>,6|H<1>}	122.2570	0.000	1	122.2570	0.000	1	121.8800	0.284	2	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:B[5]-4:	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]O[5]OO)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,2|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]O[5]OO){1|C<3>,4|H<1>}	121.5030	0.000	1	121.5030	0.000	1	121.8800	0.284	2	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H){2|C<4>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,2|C<3>,4|H<1>}	120.4065	0.630	2	120.4065	0.397	2	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<3>,1|C<4>,1|N<3>,7|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,5|H<1>}	120.3162	0.622	4	120.2716	0.180	8	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<3>,1|C<4>,1|O<2>,7|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	120.0610	0.000	1	120.2716	0.180	8	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<3>,3|C<4>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|C<4>,4|H<1>}	120.3475	0.153	2	120.2716	0.180	8	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,5|H<1>}	120.1520	0.000	1	120.2716	0.180	8	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,5|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	120.5480	0.000	1	120.5480	0.000	1	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HP)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|P<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,4|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HP){1|C<3>,2|C<4>,4|H<1>}	122.3520	0.000	1	122.3520	0.000	1	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,4|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,2|C<4>,4|H<1>}	120.7520	0.000	1	120.7520	0.000	1	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){2|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|C<3>,2|H<1>,3|C<4>}	120.9730	0.000	1	120.9730	0.000	1	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,2|C<4>,4|H<1>}	120.5200	0.000	1	120.5200	0.000	1	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	120.6050	0.000	1	120.6050	0.000	1	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,3|C<4>,3|H<1>}	120.0877	0.219	3	120.4283	0.180	6	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|C<4>,4|H<1>}	120.5190	0.000	1	120.4283	0.180	6	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	120.8940	0.107	2	120.4283	0.180	6	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,2|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,4|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	121.1540	0.000	1	121.1540	0.000	1	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,4|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	119.2720	0.000	1	119.2720	0.000	1	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H){2|C<4>,3|C<3>,5|H<1>}	120.4645	0.511	2	120.4645	0.261	2	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	120.5495	0.518	2	120.5495	0.269	2	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	120.1235	0.060	2	120.4146	0.199	7	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|C<4>,4|H<1>}	120.5550	0.000	1	120.4146	0.199	7	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|N<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	120.3880	0.000	1	120.4146	0.199	7	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,3|C<4>,3|H<1>}	120.2010	0.000	1	120.4146	0.199	7	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,4|H<1>}	120.7555	0.851	2	120.4146	0.199	7	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<4>,2|C<3>,4|H<1>}	120.5840	0.332	2	120.6012	0.040	4	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|O<2>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){2|C<3>,5|H<1>}	120.5500	0.000	1	120.6012	0.040	4	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<4>,2|C<3>,4|H<1>}	120.6870	0.000	1	120.6012	0.040	4	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HS)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|S<2>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HS){1|C<4>,2|C<3>,4|H<1>}	119.8480	0.008	2	119.8480	0.000	2	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	120.2120	0.132	2	120.2120	0.017	2	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	120.6740	0.000	1	121.1935	0.540	2	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|O<2>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Cl<1>,1|C<3>,1|C<4>,4|H<1>}	121.7130	0.000	1	121.1935	0.540	2	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|F<1>,1|O<2>,3|H<1>}	120.8140	0.000	1	120.6677	0.115	4	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	120.8185	0.279	2	120.6677	0.115	4	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,4|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	120.2200	0.000	1	120.6677	0.115	4	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|O<2>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	121.4120	0.000	1	121.4120	0.000	1	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H){2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,3|H<1>,5|C<3>}	120.6080	0.000	1	120.6080	0.000	1	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<3>,5|H<1>}	120.1830	0.236	4	120.1830	0.056	4	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	119.6770	0.000	1	119.6770	0.000	1	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|C<3>,1|N<3>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|N<3>,5|H<1>}	120.9060	0.000	1	120.9060	0.000	1	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]C[5]FF)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|H<1>,2|C<4>,3|F<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]C[5]FF){1|C<3>,1|C<4>,1|F<1>,4|H<1>}	120.0360	0.000	1	120.0360	0.000	1	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<4>,2|C<3>,4|H<1>}	121.0480	0.000	1	121.0480	0.000	1	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,6|H<1>}	120.9940	0.000	1	120.9940	0.000	1	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Cl<1>,1|C<3>,1|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|O<2>,5|H<1>}	119.7980	0.000	1	119.7980	0.000	1	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|F<1>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,6|H<1>}	120.6350	0.000	1	120.6350	0.000	1	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HO){2|C<4>,3|C<3>,4|H<1>}	119.6430	0.000	1	119.6430	0.000	1	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){2|C<3>,5|H<1>}	121.1170	0.000	1	121.1170	0.000	1	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<3>,1|C<4>,1|N<3>,7|H<1>}	120.4168	0.318	4	120.3489	0.156	7	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<3>,3|C<4>,6|H<1>}	120.5705	0.088	2	120.3489	0.156	7	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,2|C<3>,6|H<1>}	119.6340	0.000	1	120.3489	0.156	7	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,6|H<1>}	120.0750	0.000	1	120.1912	0.023	6	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,5|H<1>}	120.1427	0.125	3	120.1912	0.023	6	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|O<2>,2|C<3>,4|H<1>}	120.3220	0.173	2	120.1912	0.023	6	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|N<3>,5|H<1>}	120.5650	0.000	1	120.4478	0.060	5	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,5|H<1>}	120.0440	0.000	1	120.4478	0.060	5	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,2|C<4>,4|H<1>}	120.6980	0.000	1	120.4478	0.060	5	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|C<3>,5|H<1>}	120.4660	0.028	2	120.4478	0.060	5	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,6|H<1>}	120.2855	0.206	2	120.2855	0.042	2	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,5|H<1>}	120.4213	0.553	4	120.3956	0.159	40	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<6>,1|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<6>,1|O<2>,4|H<1>}	120.4280	0.392	2	120.3956	0.159	40	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<3>,5|H<1>}	120.5177	0.138	3	120.3956	0.159	40	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<4>,1|P<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<4>,1|P<4>,4|H<1>}	120.5560	0.085	2	120.3956	0.159	40	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<2>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<2>,5|H<1>}	120.2770	0.216	4	120.3956	0.159	40	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|S<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|S<4>,5|H<1>}	120.4635	0.088	2	120.3956	0.159	40	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|C<4>,4|H<1>}	120.3575	0.592	2	120.3956	0.159	40	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<2>,5|H<1>}	119.7720	0.000	1	120.3956	0.159	40	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<2>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<2>,2|C<3>,4|H<1>}	120.8540	0.059	2	120.3956	0.159	40	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<3>,2|C<3>,4|H<1>}	120.5448	0.476	6	120.3956	0.159	40	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<4>,1|O<2>,2|C<3>,3|H<1>}	119.7330	0.000	1	120.3956	0.159	40	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,4|H<1>}	120.1873	0.529	4	120.3956	0.159	40	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|I<1>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|I<1>,3|C<3>,3|H<1>}	120.1910	0.000	1	120.3956	0.159	40	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,4|H<1>}	120.4078	0.405	6	120.3956	0.159	40	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|C<3>,1|N<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|Br<1>,1|C<3>,5|H<1>}	120.1560	0.000	1	119.8819	0.356	24	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,1|C<4>,5|H<1>}	120.0090	0.000	1	119.8819	0.356	24	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|F<1>,1|N<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,1|F<1>,5|H<1>}	119.6490	0.000	1	119.8819	0.356	24	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|I<1>,1|N<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,1|I<1>,5|H<1>}	118.3760	0.000	1	119.8819	0.356	24	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<2>,1|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	118.9800	0.000	1	119.8819	0.356	24	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<2>,1|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,1|O<2>,5|H<1>}	119.8263	0.654	3	119.8819	0.356	24	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,1|O<2>,5|H<1>}	119.8876	0.534	10	119.8819	0.356	24	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,6|H<1>}	120.0627	0.142	4	119.8819	0.356	24	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){3|C<3>,4|H<1>}	120.6945	0.107	2	119.8819	0.356	24	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|F<1>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|C<4>,1|F<1>,4|H<1>}	120.0510	0.000	1	119.8162	0.467	21	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|C<4>,5|H<1>}	120.0300	0.868	4	119.8162	0.467	21	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|C<4>,5|H<1>}	120.2290	1.196	2	119.8162	0.467	21	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	119.9590	0.180	2	119.8162	0.467	21	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	119.1792	0.562	6	119.8162	0.467	21	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,2|C<4>,4|H<1>}	119.9370	0.000	1	119.8162	0.467	21	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<2>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|N<3>,5|H<1>}	120.3120	0.000	2	119.8162	0.467	21	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<2>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,6|H<1>}	119.6390	0.000	1	119.8162	0.467	21	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|O<2>,5|H<1>}	119.8300	0.000	1	119.8162	0.467	21	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<4>,2|C<3>,4|H<1>}	120.4890	0.000	1	119.8162	0.467	21	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<2>,1|P<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP){1|C<3>,1|O<2>,4|H<1>}	120.4190	0.000	2	120.4190	0.000	2	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]I)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,1|I<1>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]I)(C[5]C[5]CH){1|C<3>,1|C<4>,5|H<1>}	118.8570	0.274	2	118.8570	0.075	2	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]CH){1|C<3>,6|H<1>}	120.4410	0.000	1	120.4410	0.000	1	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]HN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|N<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]HN){1|C<3>,6|H<1>}	121.2950	0.000	1	121.2950	0.000	1	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|I<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,4|H<1>}	121.7810	0.000	1	121.7810	0.000	1	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|I<1>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){2|C<3>,5|H<1>}	120.9015	0.325	2	120.9015	0.105	2	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<3>,1|C<4>,1|O<2>,7|H<1>}	121.1890	0.000	1	121.1890	0.000	1	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,5|H<1>}	120.4900	0.000	1	120.4900	0.000	1	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5])(H){2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,5|H<1>}	120.1130	0.242	3	120.1130	0.059	3	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<3>,1|C<4>,5|H<1>}	122.0000	0.045	2	122.0000	0.002	2	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,5|H<1>}	120.6145	0.230	2	120.6000	0.027	3	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	120.5710	0.000	1	120.6000	0.027	3	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<2>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,6|H<1>}	120.5540	0.000	1	121.1300	0.648	5	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|N<3>,2|C<3>,3|H<1>}	121.9900	0.000	1	121.1300	0.648	5	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<4>,2|C<3>,4|H<1>}	121.7940	0.000	1	121.1300	0.648	5	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<2>,3|C<3>,3|H<1>}	120.6560	0.795	2	121.1300	0.648	5	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6a])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]O)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6a])(C[5]C[5]HH){1|C<4>,3|C<3>,5|H<1>}	120.3770	0.692	2	120.3770	0.478	2	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|Br<1>,1|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|C<3>,1|N<2>,4|H<1>}	121.4240	0.000	1	120.9145	0.352	26	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,1|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	121.4680	0.000	1	120.9145	0.352	26	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,1|F<1>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|F<1>,1|N<3>,4|H<1>}	121.5910	0.000	1	120.9145	0.352	26	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,1|I<1>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|I<1>,1|N<3>,4|H<1>}	121.1130	0.000	1	120.9145	0.352	26	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,1|O<2>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<2>,1|O<2>,4|H<1>}	121.2917	0.519	3	120.9145	0.352	26	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,1|O<2>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	120.8759	0.691	10	120.9145	0.352	26	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<4>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<4>,4|H<1>}	120.9260	0.000	1	120.9145	0.352	26	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<3>,5|H<1>}	120.7933	0.343	4	120.9145	0.352	26	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|I<1>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|I<1>,1|N<3>,2|C<3>,3|H<1>}	120.3790	0.882	2	120.9145	0.352	26	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<3>,3|C<3>,3|H<1>}	120.3445	0.192	2	120.9145	0.352	26	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|N<3>,2|C<3>,4|H<1>}	120.8180	0.076	2	120.8180	0.006	2	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<2>,1|O<2>,4|H<1>}	122.0900	0.000	1	122.0900	0.000	1	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|Br<1>,1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|Br<1>,1|C<3>,1|C<4>,1|O<1>,3|H<1>}	121.4740	0.910	3	121.4740	0.829	3	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]B)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|B<3>,1|C<3>,1|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]B)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	120.9220	0.000	1	120.9220	0.000	1	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){2|Br<1>,1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HH){1|Br<1>,1|C<3>,1|O<2>,4|H<1>}	121.9350	0.000	1	121.9350	0.000	1	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	120.8290	0.413	2	120.4693	0.345	4	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|O<2>,2|C<3>,4|H<1>}	120.5260	0.000	1	120.4693	0.345	4	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|O<2>,5|H<1>}	119.6930	0.000	1	120.4693	0.345	4	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|O<2>,5|H<1>}	120.1540	0.000	1	120.1540	0.000	1	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|C<4>,1|F<1>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|F<1>,1|O<2>,3|H<1>}	121.1280	0.000	1	121.0634	0.200	14	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	120.8585	0.131	2	121.0634	0.200	14	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	121.1953	0.339	4	121.0634	0.200	14	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<3>,4|H<1>}	120.4885	0.585	2	121.0634	0.200	14	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|N<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|C<3>,1|N<3>,1|O<2>,3|H<1>}	120.6330	0.000	1	121.0634	0.200	14	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|O<2>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|O<2>,4|H<1>}	121.9360	0.000	1	121.0634	0.200	14	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	121.1870	0.000	1	121.0634	0.200	14	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<2>,5|H<1>}	121.3920	0.000	1	121.0634	0.200	14	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	121.1360	0.000	1	121.0634	0.200	14	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|O<2>,2|C<3>,4|H<1>}	121.0210	0.219	2	121.0210	0.048	2	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|O<2>,1|S<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|O<2>,1|S<3>,4|H<1>}	120.5080	0.025	2	120.5080	0.001	2	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HS)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|O<2>,1|S<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HS){1|C<3>,2|O<2>,4|H<1>}	119.9910	0.000	1	119.9910	0.000	1	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|N<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]HH){1|C<3>,1|O<2>,5|H<1>}	121.8430	0.000	2	121.8430	0.000	2	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|N<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<2>,5|H<1>}	121.2410	0.000	2	121.2410	0.000	2	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	121.8160	0.538	6	121.8160	0.290	6	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	120.8000	0.362	2	120.8000	0.131	2	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP){1|C<3>,1|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<2>,1|P<4>,3|H<1>}	120.2440	0.000	2	120.2440	0.000	2	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HS)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HS){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|S<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|S<2>,2|C<3>,4|H<1>}	120.7083	0.583	3	120.7083	0.340	3	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HS)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HS){1|C<3>,2|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|S<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|O<2>,1|S<3>,4|H<1>}	120.9790	0.000	1	120.9790	0.000	1	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HS)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HS)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HS){1|S<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HS){1|S<2>,2|C<3>,3|H<1>}	120.6285	0.672	2	120.6285	0.452	2	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a]C[6a])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.9660	0.000	1	120.9660	0.000	1	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.7663	0.507	3	120.7663	0.257	3	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.5307	0.691	8	120.5382	0.262	24	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	120.1470	0.000	1	120.5382	0.262	24	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	120.4210	0.588	4	120.5382	0.262	24	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.3162	0.181	4	120.5382	0.262	24	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|C<3>,1|P<4>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|C<3>,1|P<4>,2|C<4>,2|H<1>}	120.8460	0.226	4	120.5382	0.262	24	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.0880	0.000	1	120.5382	0.262	24	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<4>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|C<3>,2|C<4>,4|H<1>}	120.5515	0.542	2	120.5382	0.262	24	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	122.7270	0.000	1	121.4650	3.185	2	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|C<3>,2|C<4>,3|H<1>}	120.2030	0.000	1	121.4650	3.185	2	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|C<4>,1|S<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|C<4>,1|S<3>,3|H<1>}	120.9355	1.057	2	120.8940	0.351	6	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	120.9375	0.777	2	120.8940	0.351	6	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<4>,2|C<3>,3|H<1>}	120.8090	0.115	2	120.8940	0.351	6	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|B<4>,1|C<3>,1|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<4>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|B<4>,1|C<3>,2|C<4>,3|H<1>}	120.7470	0.000	1	120.6030	0.674	5	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<4>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,3|C<4>,3|H<1>}	119.3580	0.000	1	120.6030	0.674	5	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<2>,2|C<3>,3|H<1>}	121.5600	0.000	1	120.6030	0.674	5	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){3|C<3>,3|H<1>}	120.6750	0.447	2	120.6030	0.674	5	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO){1|C<3>,1|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.3300	0.000	1	121.3300	0.000	1	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|S<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,1|S<4>,4|H<1>}	121.0014	0.292	7	120.9309	0.113	8	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){2|C<3>,4|H<1>}	120.4370	0.000	1	120.9309	0.113	8	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|B<4>,1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|B<4>,1|C<3>,1|C<4>,4|H<1>}	121.1240	0.000	1	121.0876	0.606	5	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){2|C<3>,4|H<1>}	120.1640	0.000	1	121.0876	0.606	5	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,2|C<4>,4|H<1>}	122.2860	0.000	1	121.0876	0.606	5	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){2|C<3>,4|H<1>}	120.9320	0.290	2	121.0876	0.606	5	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO){1|C<3>,1|C<4>,4|H<1>}	120.5210	0.000	1	120.5210	0.000	1	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,1|S<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|S<4>,2|C<3>,3|H<1>}	120.1980	0.450	8	120.3951	0.160	15	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){2|C<3>,4|H<1>}	120.6307	0.174	6	120.3951	0.160	15	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){3|C<3>,3|H<1>}	120.5590	0.000	1	120.3951	0.160	15	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HO){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HO){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	120.7145	0.401	2	120.8460	0.191	4	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HO){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HO){1|O<2>,2|C<3>,3|H<1>}	120.9775	0.585	2	120.8460	0.191	4	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,2|C<4>,2|H<1>}	120.2080	0.153	2	120.2080	0.023	2	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,1|C<4>,3|H<1>}	120.7905	0.271	2	120.7905	0.073	2	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|C<4>,3|H<1>}	121.0050	0.024	2	121.0050	0.001	2	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CO){1|C<3>,1|C<4>,3|H<1>}	119.7900	0.000	1	119.7900	0.000	1	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,1|C<4>,3|H<1>}	121.0990	0.000	1	121.0990	0.000	1	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HP)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|P<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HP){1|C<3>,1|C<4>,3|H<1>}	120.3570	0.000	1	120.3570	0.000	1	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CO){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|O<2>,2|C<3>,2|H<1>}	121.5000	0.000	1	121.5000	0.000	1	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CO){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	121.0190	0.000	1	121.0190	0.000	1	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,4|H<1>}	120.7490	0.000	1	120.7490	0.000	1	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[5])(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]HH){2|C<3>,3|H<1>}	121.7440	0.000	1	121.7440	0.000	1	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,4|H<1>}	120.7940	0.000	1	120.7940	0.000	1	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CO){1|C<3>,4|H<1>}	121.1350	0.000	1	121.1350	0.000	1	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,1|S<6>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,1|S<6>,3|H<1>}	120.7510	0.000	1	120.4958	0.359	5	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,4|H<1>}	120.4435	1.126	2	120.4958	0.359	5	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,1|O<2>,3|H<1>}	120.2130	0.000	1	120.4958	0.359	5	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){2|C<3>,3|H<1>}	120.6280	0.000	1	120.4958	0.359	5	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]HH){1|C<3>,1|C<4>,3|H<1>}	121.2360	0.000	1	121.2360	0.000	1	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]P)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,1|P<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]P)(C[5]O[5]HH){1|C<3>,4|H<1>}	121.5110	0.000	1	121.5110	0.000	1	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,4|H<1>}	121.4500	0.000	1	121.4500	0.000	1	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]S)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,1|S<6>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,4|H<1>}	121.5840	0.000	1	121.5840	0.000	1	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HP)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HP){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,1|P<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|P<4>,3|H<1>}	121.0150	0.000	1	121.0150	0.000	1	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]CH){1|C<3>,1|O<1>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|S<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]HH){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	120.2110	0.000	1	120.5770	0.268	2	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]CH){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]HH){2|C<3>,3|H<1>}	120.9430	0.000	1	120.5770	0.268	2	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]FH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]FH){1|C<3>,2|O<1>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|S<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]HH){1|C<3>,1|F<1>,2|O<1>,3|H<1>}	121.4090	0.000	1	121.4090	0.000	1	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]HH){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|S<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]CH){1|C<3>,1|O<1>,4|H<1>}	120.0970	0.000	1	119.8830	0.092	2	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]HH){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]CH){1|C<3>,4|H<1>}	119.6690	0.000	1	119.8830	0.092	2	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]HH){1|C<3>,1|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|S<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]HH){1|C<3>,1|C<4>,4|H<1>}	120.2450	0.341	2	120.2450	0.116	2	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]HS)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]HH){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|S<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]HS){1|C<3>,1|C<4>,4|H<1>}	120.4540	0.000	1	120.4540	0.000	1	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]HS)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]HS){1|C<3>,1|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|S<2>,1|S<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]HH){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	121.0510	0.000	1	121.0510	0.000	1	120.5761	0.451	382	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-4:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]B[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]B[5]CC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]B[5]HH){1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|N<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]B[5]CC){1|Cl<1>,2|C<3>,4|H<1>}	117.2590	0.000	1	117.6055	0.240	2	118.2368	0.706	4	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-4:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]B[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]B[5]CC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]B[5]HH){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|N<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]B[5]CC){1|C<4>,2|C<3>,4|H<1>}	117.9520	0.000	1	117.6055	0.240	2	118.2368	0.706	4	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-4:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<4>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]HH){2|C<3>,2|C<4>,3|H<1>}	118.4910	0.000	1	118.4910	0.000	1	118.2368	0.706	4	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-4:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]BH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|B<4>,1|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]BH){1|C<3>,6|H<1>}	119.2450	0.000	1	119.2450	0.000	1	118.2368	0.706	4	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|Cl<1>,1|C<3>,1|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(S[5]N[5]OO){2|H<1>,3|C<3>}	119.1380	0.000	1	119.1380	0.000	1	119.0982	0.309	33	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){2|C<3>,2|C<4>,2|H<1>}	117.8980	0.000	1	119.0010	0.689	6	119.0982	0.309	33	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|C<3>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,2|C<4>,2|H<1>}	118.7970	0.000	1	119.0010	0.689	6	119.0982	0.309	33	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|C<3>,2|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<2>,2|C<3>,3|H<1>}	120.3930	0.000	1	119.0010	0.689	6	119.0982	0.309	33	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|C<3>,2|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,2|C<4>,3|H<1>}	118.5820	0.000	1	119.0010	0.689	6	119.0982	0.309	33	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|C<3>,2|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<4>,2|C<3>,3|H<1>}	119.1680	0.124	2	119.0010	0.689	6	119.0982	0.309	33	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>,1|S<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,2|C<4>,3|H<1>}	118.6800	0.000	1	118.6800	0.000	1	119.0982	0.309	33	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,1|S<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|C<4>,3|H<1>}	118.9590	0.000	1	118.9300	0.032	4	119.0982	0.309	33	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,2|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|S<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|C<4>,4|H<1>}	118.9203	0.218	3	118.9300	0.032	4	119.0982	0.309	33	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|S<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.4080	0.560	2	119.4080	0.314	2	119.0982	0.309	33	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CO){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.6980	0.000	1	119.6980	0.000	1	119.0982	0.309	33	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]HN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]HN){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|S<4>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	118.9170	0.752	7	118.9170	0.565	7	119.0982	0.309	33	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]HO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]HO){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,1|S<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	118.9830	0.000	1	118.9830	0.000	1	119.0982	0.309	33	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]HS)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]HS){1|C<2>,1|C<3>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|S<2>,1|S<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<2>,1|C<3>,1|S<2>,3|H<1>}	120.1110	0.000	1	119.2782	0.131	10	119.0982	0.309	33	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]HS)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]HS){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|S<2>,1|S<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	119.1857	0.226	9	119.2782	0.131	10	119.0982	0.309	33	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6,6a]H)(H)	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6,6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	120.6480	1.004	2	120.6537	0.504	3	120.6537	0.504	3	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6,6a]H)(H)	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6,6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	120.6650	0.000	1	120.6537	0.504	3	120.6537	0.504	3	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,5]C[5]3)	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,5]C[5]3){1|O<1>,2|C<4>,3|C<3>,8|H<1>}	121.3500	0.000	1	121.3500	0.000	1	121.3500	0.000	1	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|N<4>,3|C<3>,5|H<1>}	120.4760	0.000	1	120.4760	0.000	1	121.0790	0.727	2	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|S<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H){1|S<4>,5|C<3>,5|H<1>}	121.6820	0.000	1	121.6820	0.000	1	121.0790	0.727	2	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:P[5]-4:	C[5,6a](C[5,6a]C[6a,6a]P[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)	C[5,6a](C[5,6a]C[6a,6a]P[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O){5|C<3>,6|H<1>}	119.9150	0.000	1	119.9150	0.000	1	119.9150	0.000	1	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a,6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a,6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CC){2|C<3>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|C<4>,1|N<3>,1|S<4>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(S[5]N[5]OO){1|C<4>,3|H<1>,4|C<3>}	119.6520	0.000	1	119.6520	0.000	1	119.6520	0.000	1	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:I-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]I)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(I)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]I)(C[5]C[5]CH){1|C<3>,1|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(I){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,1|I<1>,2|C<3>,3|H<1>}	120.0475	0.281	2	120.0475	0.079	2	120.0475	0.079	2	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]C[5]HH)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[5])(H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]C[5]HH){1|C<3>,1|O<2>,5|H<1>}	119.9050	0.000	1	119.9050	0.000	1	119.9050	0.000	1	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]Cl)(C[5]C[6a]2C[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]C)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]Cl)(C[5]C[6a]2C[5]){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(Cl){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]C)(C[5]C[5]HH){1|Cl<1>,2|H<1>,4|C<3>}	119.6830	0.000	1	119.6830	0.000	1	119.6830	0.000	1	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:Cl-1:	C[6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]Cl)(C[5]C[6a]2C[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(Cl)	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]Cl)(C[5]C[6a]2C[5]){4|H<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(Cl){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|Cl<1>,2|H<1>,6|C<3>}	119.3130	0.000	1	119.3130	0.000	1	119.3130	0.000	1	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH){2|C<3>,2|C<4>,3|H<1>}	120.3750	0.000	1	120.5877	0.616	3	120.7148	0.291	13	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH){3|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH){3|H<1>,4|C<3>}	120.6940	1.079	2	120.5877	0.616	3	120.7148	0.291	13	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH){1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]HO){2|C<3>,5|H<1>}	120.3740	0.000	1	120.3740	0.000	1	120.7148	0.291	13	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]C[5])(H){2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH){2|C<3>,2|C<4>,3|H<1>}	120.3520	0.000	1	120.3520	0.000	1	120.7148	0.291	13	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]HO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]HO){2|C<3>,5|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH){1|O<2>,2|C<3>,4|H<1>}	120.8370	0.000	1	120.8370	0.000	1	120.7148	0.291	13	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]Si)(C[5]N[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]HH){1|Si<4>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]Si)(C[5]N[5]HH){1|S<4>,2|C<3>,3|H<1>}	120.7763	0.442	4	120.7763	0.196	4	120.7148	0.291	13	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]C)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]HH){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]C)(C[5]O[5]HH){2|C<3>,3|H<1>}	120.8210	0.000	1	120.8210	0.000	1	120.7148	0.291	13	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]HH){2|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]HH){2|C<3>,3|H<1>}	121.0200	1.073	2	121.0200	1.152	2	120.7148	0.291	13	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]HH)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5,6a]C[6a]C[5])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]HH){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5,6a]C[6a]C[5])(C[5]O[5]HH){3|H<1>,4|C<3>}	121.5870	0.000	1	121.5870	0.000	1	121.5870	0.000	1	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]HH){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]O[5]HH){3|H<1>,4|C<3>}	121.4130	0.000	1	121.4130	0.000	1	121.3230	0.008	3	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]S[5]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]S[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]S[5]HH){2|H<1>,2|O<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]S[5]HH){2|O<1>,3|H<1>,4|C<3>}	121.2780	0.059	2	121.2780	0.004	2	121.3230	0.008	3	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]B[5]CC)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]B[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]B[5]CC){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]B[5]HH){2|C<3>,2|H<1>,3|C<4>}	123.0780	0.000	1	123.4735	0.313	2	123.5623	0.303	4	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]B[5]CC)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]B[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]B[5]CC){1|Cl<1>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]B[5]HH){1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	123.8690	0.000	1	123.4735	0.313	2	123.5623	0.303	4	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]BH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]BH){1|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|B<4>,1|C<3>,5|H<1>}	123.1190	0.000	1	123.1190	0.000	1	123.5623	0.303	4	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]HH){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,5|H<1>}	124.1830	0.000	1	124.1830	0.000	1	123.5623	0.303	4	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:B[5]-4:	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(P[5]O[5]CC)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(B[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(P[5]O[5]CC){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(B[5]O[5]HH){1|C<3>,2|C<4>,2|H<1>}	122.9350	0.000	1	122.9350	0.000	1	122.9350	0.000	1	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(P[5]B[5]CC)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(P[5]B[5]CC)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(P[5]B[5]CC){1|C<3>,2|C<4>,2|H<1>,2|I<1>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|P<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(P[5]B[5]CC){1|C<3>,2|C<4>,2|H<1>,2|I<1>}	120.2975	0.056	2	120.2322	0.007	4	120.1680	0.074	6	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(P[5]B[5]CC)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(P[5]B[5]CC)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(P[5]B[5]CC){2|Br<1>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|P<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(P[5]B[5]CC){2|Br<1>,1|C<3>,2|C<4>,2|H<1>}	120.1570	0.000	1	120.2322	0.007	4	120.1680	0.074	6	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(P[5]B[5]CC)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(P[5]B[5]CC)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(P[5]B[5]CC){2|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|P<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(P[5]B[5]CC){2|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	120.1770	0.000	1	120.2322	0.007	4	120.1680	0.074	6	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(P[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(P[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(P[5]C[5]CC){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<4>,3|C<4>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(P[5]C[5]CC){1|C<3>,2|C<4>,4|H<1>}	120.0395	0.549	2	120.0395	0.302	2	120.1680	0.074	6	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(S[5]N[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(S[5]N[5]OO){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>,1|N<2>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|Cl<1>,1|C<3>,1|H<1>,2|O<1>}	121.5450	0.000	1	121.5450	0.000	1	121.5450	0.000	1	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|C<3>,2|O<1>,3|H<1>}	121.8420	0.000	1	123.2470	0.745	6	122.9659	0.512	32	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|C<3>,2|H<1>,2|O<1>}	123.5990	0.000	1	123.2470	0.745	6	122.9659	0.512	32	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|C<3>,2|O<1>,3|H<1>}	123.6150	0.000	1	123.2470	0.745	6	122.9659	0.512	32	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|C<3>,2|O<1>,3|H<1>}	123.0390	0.440	2	123.2470	0.745	6	122.9659	0.512	32	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	124.3480	0.000	1	123.2470	0.745	6	122.9659	0.512	32	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,2|H<1>,2|O<1>}	123.4390	0.000	1	123.0658	0.279	5	122.9659	0.512	32	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,2|O<1>,3|H<1>}	123.2083	0.371	3	123.0658	0.279	5	122.9659	0.512	32	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	122.2650	0.000	1	123.0658	0.279	5	122.9659	0.512	32	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CO){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	122.8100	0.000	1	122.8100	0.000	1	122.9659	0.512	32	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]HN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]HN){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	122.8781	0.514	7	122.8781	0.265	7	122.9659	0.512	32	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]HO){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	124.0230	0.000	1	124.0230	0.000	1	122.9659	0.512	32	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]HS)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<2>,1|C<3>,1|S<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]HS){1|C<2>,1|C<3>,2|H<1>,2|O<1>}	122.6010	0.000	1	122.7362	0.788	10	122.9659	0.512	32	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]HS)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]HS){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	122.7512	0.940	9	122.7362	0.788	10	122.9659	0.512	32	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	122.8780	0.304	2	122.8780	0.092	2	122.9659	0.512	32	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5]OO){1|C<3>,1|C<4>,1|F<1>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|S<4>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5]OO){1|C<3>,1|C<4>,1|F<1>,2|H<1>,2|O<1>}	121.3255	0.054	2	121.1055	0.136	6	121.2583	0.113	18	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5]OO){2|C<3>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5]OO){2|C<3>,2|H<1>,2|O<1>}	120.9955	0.421	4	121.1055	0.136	6	121.2583	0.113	18	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|S<4>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	121.2020	0.420	2	121.3347	0.094	12	121.2583	0.113	18	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|O<2>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|S<4>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|O<2>,2|H<1>,2|O<1>}	121.3550	0.071	2	121.3347	0.094	12	121.2583	0.113	18	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|S<4>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,2|H<1>,2|O<1>}	121.4073	0.498	4	121.3347	0.094	12	121.2583	0.113	18	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,2|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|S<4>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,2|O<1>,3|H<1>}	121.2230	0.066	2	121.3347	0.094	12	121.2583	0.113	18	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]N[5]OO){2|C<3>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|S<4>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]N[5]OO){2|C<3>,2|H<1>,2|O<1>}	121.4140	0.105	2	121.3347	0.094	12	121.2583	0.113	18	120.7064	1.034	625	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:5:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:I[5]-5:	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]F3)	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,2|H<1>,3|F<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|I<5>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]F3){1|C<3>,2|C<4>,2|H<1>}	117.8390	0.000	1	117.8390	0.000	1	117.8390	0.000	1	117.8390	0.000	1	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HO)(N[6a]C[6a])	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HO)(N[6a]C[6a]){1|C<3>,6|H<1>}	118.1800	0.000	1	118.1800	0.000	1	118.1800	0.000	1	118.1800	0.000	1	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[5]C[5]CH){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[5,6a]H){1|O<2>,5|C<3>,5|H<1>}	121.8860	0.000	1	121.8860	0.000	1	121.8860	0.000	1	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[5,6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])2(H){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[5,6a]C){3|C<4>,3|H<1>,5|C<3>}	120.7170	0.192	2	120.7170	0.037	2	121.3582	0.578	4	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6]O[5]H)(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]HH){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6]O[5]H)(C[6a]C[5,6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	121.8390	0.000	1	121.8390	0.000	1	121.3582	0.578	4	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]HO)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]HO){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|H<1>,2|C<4>,3|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[5,6a]H){2|H<1>,2|O<2>,3|C<3>}	122.1600	0.000	1	122.1600	0.000	1	121.3582	0.578	4	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Br){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]O){1|Br<1>,1|C<4>,2|C<3>,8|H<1>}	119.2040	0.000	1	119.2040	0.000	1	119.2040	0.000	1	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(Br)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]Br)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]CC){2|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(Br){1|Br<1>,1|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]Br){2|Br<1>,2|C<4>,2|H<1>,3|C<3>}	119.1780	0.000	1	119.1780	0.000	1	119.8630	0.717	3	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HH){1|S<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Br){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|Br<1>,1|S<4>,3|C<3>,4|H<1>}	119.6010	0.000	1	119.6010	0.000	1	119.8630	0.717	3	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(Br)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HH){1|C<4>,3|C<3>,3|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(Br){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]O){1|Br<1>,1|C<4>,1|O<2>,3|C<3>,3|H<1>}	120.8100	0.000	1	120.8100	0.000	1	119.8630	0.717	3	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]C[5]CH){1|Si<4>,2|Cl<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]Cl){1|Si<4>,2|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	119.6940	0.000	1	119.6940	0.000	1	119.2310	0.429	2	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]C[5]HH){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H){1|Cl<1>,3|C<3>,6|H<1>}	118.7680	0.000	1	118.7680	0.000	1	119.2310	0.429	2	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]B[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5,5]N[5]O[5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]B[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|N<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5,5]N[5]O[5]2)(C[6a]C[6a]H){2|C<3>,3|H<1>,4|C<4>}	121.9780	0.000	1	121.9780	0.000	1	121.9780	0.000	1	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5,6]N[5]O[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|N<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5,6]N[5]O[6]2)(C[6a]C[6a]H){1|B<3>,1|B<4>,1|C<3>,2|C<4>,4|H<1>}	122.5385	0.132	2	122.5397	0.057	6	122.5397	0.057	6	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5,6]N[5]O[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|N<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5,6]N[5]O[6]2)(C[6a]C[6a]H){1|C<3>,2|B<4>,2|C<4>,4|H<1>}	122.5293	0.363	3	122.5397	0.057	6	122.5397	0.057	6	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5,6]N[5]O[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|N<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5,6]N[5]O[6]2)(C[6a]C[6a]H){1|C<3>,4|C<4>,4|H<1>}	122.5730	0.000	1	122.5397	0.057	6	122.5397	0.057	6	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,2|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6]2N[5])(C[6a]C[6a]H){1|C<3>,5|H<1>,7|C<4>}	122.2050	0.000	1	122.2050	0.000	1	121.7943	0.216	10	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H){3|C<4>,3|H<1>,5|C<3>}	122.2860	0.173	2	122.2860	0.030	2	121.7943	0.216	10	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]N[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]N[5]H)(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	122.3810	0.000	1	122.3810	0.000	1	121.7943	0.216	10	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]N[5]Cl2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH){2|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5]N[5]Cl2)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	121.5610	0.179	3	121.5610	0.032	3	121.7943	0.216	10	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]N[5]Cl2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]HH){2|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|N<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5]N[5]Cl2)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	121.6670	0.000	1	121.6670	0.000	1	121.7943	0.216	10	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]P[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]P[5]HH){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|P<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2P[5])(C[6a]C[6a]H){2|C<4>,4|H<1>,5|C<3>}	121.2930	0.000	1	121.2930	0.000	1	121.7943	0.216	10	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]P[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]P[5]Cl2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]P[5]HH){2|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|P<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5]P[5]Cl2)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	121.1420	0.000	1	121.1420	0.000	1	121.7943	0.216	10	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a]C[6a])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a]C[6a])(H){2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,7|H<1>}	120.3480	0.477	2	120.3480	0.227	2	120.8725	0.475	34	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,9|H<1>}	120.6260	0.000	1	120.3975	0.104	2	120.8725	0.475	34	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,8|H<1>}	120.1690	0.000	1	120.3975	0.104	2	120.8725	0.475	34	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]O){1|C<4>,2|C<3>,9|H<1>}	121.2155	0.083	2	121.2155	0.007	2	120.8725	0.475	34	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]P)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,1|P<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]P){1|C<3>,2|C<4>,9|H<1>}	121.3045	0.114	2	121.5352	0.117	5	120.8725	0.475	34	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]P)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,1|P<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]P){1|C<4>,2|C<3>,9|H<1>}	121.6890	0.371	3	121.5352	0.117	5	120.8725	0.475	34	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|C<3>,7|H<1>}	120.1130	0.124	2	119.9900	0.115	4	120.8725	0.475	34	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|C<3>,7|H<1>}	119.8670	0.518	2	119.9900	0.115	4	120.8725	0.475	34	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]O){1|C<3>,1|O<1>,2|C<4>,8|H<1>}	120.4360	0.000	1	120.4360	0.000	1	120.8725	0.475	34	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,2|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,7|H<1>}	121.4168	0.360	4	121.4168	0.130	4	120.8725	0.475	34	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,6|H<1>}	119.6670	0.137	2	119.6670	0.019	2	120.8725	0.475	34	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,4|C<3>,5|H<1>}	120.6740	0.000	1	120.6740	0.000	1	120.8725	0.475	34	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	120.3380	0.000	1	120.3380	0.000	1	120.8725	0.475	34	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H){1|C<3>,3|C<4>,5|H<1>}	121.5600	0.000	1	121.5600	0.000	1	120.8725	0.475	34	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	120.5640	0.614	2	120.5640	0.377	2	120.8725	0.475	34	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]HO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]HO){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|O<1>,2|O<2>,3|C<3>,4|H<1>}	121.2814	0.352	7	121.2814	0.124	7	120.8725	0.475	34	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|Cl<1>,1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,3|C<4>,8|H<1>}	119.9070	0.000	1	119.9070	0.000	1	120.7410	0.712	6	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|O<1>,5|H<1>}	120.1820	0.004	2	120.1820	0.000	2	120.7410	0.712	6	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]O){10|H<1>,1|C<4>,2|C<3>}	122.1430	0.000	1	122.1430	0.000	1	120.7410	0.712	6	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[6]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[6]2O[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,8|H<1>}	121.0160	0.354	2	121.0160	0.125	2	120.7410	0.712	6	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	119.8470	0.000	1	119.8470	0.000	1	120.2640	0.618	71	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	120.1663	0.076	3	120.2660	0.044	4	120.2640	0.618	71	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	120.5650	0.000	1	120.2660	0.044	4	120.2640	0.618	71	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	119.9120	0.095	2	119.9120	0.009	2	120.2640	0.618	71	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,4|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	120.5940	0.000	1	120.5940	0.000	1	120.2640	0.618	71	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	120.0190	0.000	1	120.0190	0.000	1	120.2640	0.618	71	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	120.4300	0.000	1	120.4300	0.000	1	120.2640	0.618	71	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]RuP)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|Ru<5>,1|Ru<6>,1|C<3>,1|P<5>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]RuP)(C[6a]C[6a]H){1|Ru<5>,1|C<3>,1|C<4>,3|H<1>}	120.0480	0.000	1	120.0480	0.000	1	120.2640	0.618	71	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H){5|H<1>,6|C<3>}	120.6340	0.000	1	120.6340	0.000	1	120.2640	0.618	71	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	118.7165	0.091	2	119.2257	0.782	3	120.2640	0.618	71	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	120.2440	0.000	1	119.2257	0.782	3	120.2640	0.618	71	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|C<2>,3|C<3>,5|H<1>}	120.7770	0.000	1	120.7770	0.000	1	120.2640	0.618	71	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]Pd)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|Pd<5>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]Pd)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	120.9075	0.122	2	120.9075	0.015	2	120.2640	0.618	71	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	120.1460	0.288	2	120.0940	0.050	3	120.2640	0.618	71	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	119.9900	0.000	1	120.0940	0.050	3	120.2640	0.618	71	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|H<1>,2|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]O){4|H<1>,5|C<3>}	123.2180	0.000	1	123.2180	0.000	1	120.2640	0.618	71	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[6]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|N<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[6]H)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	120.3710	0.000	1	120.3710	0.000	1	120.2640	0.618	71	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]RuC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|Ru<10>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]RuC)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.8630	0.000	1	119.8800	0.001	2	120.2640	0.618	71	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]RuC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|Ru<9>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]RuC)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.8970	0.000	1	119.8800	0.001	2	120.2640	0.618	71	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,7|H<1>}	119.5310	1.015	3	119.5310	1.030	3	120.2640	0.618	71	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[4]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[4]H)(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	119.8165	0.381	2	119.8165	0.145	2	120.2640	0.618	71	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	118.8155	1.054	2	118.9740	0.631	3	120.2640	0.618	71	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H){3|C<3>,6|H<1>}	119.2910	0.000	1	118.9740	0.631	3	120.2640	0.618	71	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]Ru2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Ru<5>,1|Ru<6>,1|C<3>,1|P<5>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]Ru2)(C[6a]C[6a]H){1|C<3>,1|P<5>,4|H<1>}	121.8460	0.000	1	121.8460	0.000	1	120.2640	0.618	71	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]RuC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Ru<5>,1|Ru<6>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]RuC)(C[6a]C[6a]H){1|Ru<5>,1|C<3>,4|H<1>}	119.9585	0.380	4	119.9585	0.145	4	120.2640	0.618	71	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]RuP)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Ru<5>,1|Ru<6>,1|C<3>,1|P<5>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]RuP)(C[6a]C[6a]H){1|Ru<5>,1|C<3>,4|H<1>}	120.9720	0.000	1	120.9720	0.000	1	120.2640	0.618	71	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H){2|C<2>,4|H<1>,5|C<3>}	120.6790	0.000	1	120.6790	0.000	1	120.2640	0.618	71	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){3|C<3>,6|H<1>}	120.6030	0.000	1	120.6030	0.000	1	120.2640	0.618	71	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	119.9000	0.000	1	119.9000	0.000	1	120.2640	0.618	71	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	119.9895	0.179	2	120.2100	0.045	8	120.2640	0.618	71	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){3|C<3>,6|H<1>}	120.2808	0.194	5	120.2100	0.045	8	120.2640	0.618	71	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){4|C<3>,5|H<1>}	120.2970	0.000	1	120.2100	0.045	8	120.2640	0.618	71	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,1|O<3>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	119.3370	0.000	1	119.3370	0.000	1	120.2640	0.618	71	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]Rh)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Rh<5>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]Rh)(C[6a]C[6a]H){3|C<3>,5|H<1>}	120.1130	0.000	1	120.1130	0.000	1	120.2640	0.618	71	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|F<1>,1|N<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5a]C[5]H)(C[6a]C[6a]H){1|F<1>,1|N<2>,2|C<3>,5|H<1>}	120.1340	0.000	1	119.9277	0.041	3	120.2640	0.618	71	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5a]C[5]H)(C[6a]C[6a]H){3|C<3>,6|H<1>}	119.8245	0.135	2	119.9277	0.041	3	120.2640	0.618	71	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[6,6]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[6,6]C[5]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|P<3>,6|H<1>}	119.8000	0.000	1	119.8000	0.000	1	120.2640	0.618	71	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	121.4695	0.827	2	121.4695	0.683	2	120.2640	0.618	71	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	120.2080	0.000	1	120.2080	0.000	1	120.2640	0.618	71	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|S<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	121.1560	0.000	1	121.1560	0.000	1	120.2640	0.618	71	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|Ru<6>,1|C<3>,1|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|Ru<6>,1|N<4>,2|C<3>,6|H<1>}	121.0070	0.151	2	121.0070	0.023	2	120.2640	0.618	71	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]SiH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|Si<4>,1|B<4>,1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]SiH)(C[6a]C[6a]H){1|B<4>,1|C<3>,1|C<4>,4|H<1>}	121.3350	0.214	2	121.3350	0.046	2	120.2640	0.618	71	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|Br<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H){3|C<3>,4|H<1>}	121.1580	0.000	1	121.1580	0.000	1	120.2640	0.618	71	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H){3|C<3>,4|H<1>}	120.9055	0.187	2	120.9055	0.035	2	120.2640	0.618	71	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]O[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HO){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]O[5]H)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	121.0010	0.000	1	121.0010	0.000	1	120.2640	0.618	71	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]P[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]P[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]P[5]HH){1|Fe<4>,1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|P<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]P[5]H)(C[6a]C[6a]H){1|Fe<4>,1|C<4>,1|P<4>,2|C<3>,5|H<1>}	119.7400	0.238	2	119.7400	0.056	2	120.2640	0.618	71	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]S[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]HH){2|C<3>,2|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]S[5]H)(C[6a]C[6a]H){2|O<1>,3|C<3>,4|H<1>}	120.2540	0.000	1	120.2540	0.000	1	120.2640	0.618	71	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Ga[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]Ga[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(Ga[5]C[6a]2N[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[6a]Ga[5])(C[6a]C[6a]H)(C[5]N[5]HH){3|C<3>,4|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|Ga<4>,1|C<3>,1|N<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(Ga[5]C[6a]2N[5])(C[6a]C[6a]C){2|C<4>,4|H<1>,5|C<3>}	122.8440	0.000	1	122.8440	0.000	1	122.2990	0.594	2	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Ga[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]Ga[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(Ga[5]N[5]Cl2)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[6a]Ga[5])(C[6a]C[6a]H)(C[5]N[5]HH){2|Cl<1>,1|C<3>,4|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|Ga<4>,1|C<3>,1|N<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(Ga[5]N[5]Cl2)(C[6a]C[6a]C){1|C<3>,2|C<4>,4|H<1>}	121.7540	0.000	1	121.7540	0.000	1	122.2990	0.594	2	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5]AlC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Al<4>,1|Cl<1>,1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5]AlC)(C[6a]C[6a]H){1|C<3>,6|H<1>}	119.9815	0.046	2	119.9815	0.002	2	119.2190	2.069	4	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5]ReH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Re<5>,1|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5]ReH)(C[6a]C[6a]H){1|C<3>,6|H<1>}	119.8490	0.000	1	119.8490	0.000	1	119.2190	2.069	4	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5]Pd)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Pd<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5]Pd)(C[6a]C[6a]H){3|C<3>,6|H<1>}	117.0640	0.000	1	117.0640	0.000	1	119.2190	2.069	4	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[5]IrC)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Ir<4>,1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|P<4>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[5]IrC)(C[6a]C[6a]C){1|C<3>,2|C<4>,4|H<1>}	120.9847	0.293	3	120.6855	0.415	4	119.9590	0.824	18	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[5]IrC)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Ir<4>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|P<4>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[5]IrC)(C[6a]C[6a]C){1|C<3>,2|C<4>,4|H<1>}	119.7880	0.000	1	120.6855	0.415	4	119.9590	0.824	18	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[5]Mo2)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|Mo<9>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|P<4>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[5]Mo2)(C[6a]C[6a]C){1|C<3>,2|C<4>,4|H<1>}	120.6320	0.000	1	120.6320	0.000	1	119.9590	0.824	18	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[5]PdC)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Pd<4>,1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|P<4>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[5]PdC)(C[6a]C[6a]C){1|C<3>,2|C<4>,4|H<1>}	119.9130	0.000	1	119.9130	0.000	1	119.9590	0.824	18	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]2C[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]2C[5])(C[6a]C[6a]C){1|C<4>,2|H<1>,7|C<3>}	120.5400	0.000	1	120.5400	0.000	1	119.9590	0.824	18	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]B)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|B<4>,1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|P<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]B)(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	119.7130	0.000	1	119.7130	0.000	1	119.9590	0.824	18	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|P<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H){3|C<3>,6|H<1>}	118.7630	0.024	2	118.7630	0.001	2	119.9590	0.824	18	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]S)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|S<1>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|P<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]S)(C[6a]C[6a]H){3|C<3>,6|H<1>}	119.1760	0.000	1	119.1760	0.000	1	119.9590	0.824	18	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|P<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]2N[5])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	118.3880	0.000	1	118.3880	0.000	1	119.9590	0.824	18	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]N[5]Pd2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]HH){2|Pd<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|P<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]N[5]Pd2)(C[6a]C[6a]H){2|C<3>,4|H<1>}	120.5920	0.000	1	120.5920	0.000	1	119.9590	0.824	18	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]O[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]O[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,1|P<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]O[5]C)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	120.3820	0.000	1	120.6300	0.208	3	119.9590	0.824	18	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]O[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]O[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]O[5]CC){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,1|P<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]O[5]C)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	120.7540	0.569	2	120.6300	0.208	3	119.9590	0.824	18	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]O[5]B)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|B<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,1|P<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]O[5]B)(C[6a]C[6a]H){3|C<3>,4|H<1>}	119.0750	0.363	2	119.0750	0.132	2	119.9590	0.824	18	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[5]CO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[5]CO)(C[6a]C[6a]H){1|C<3>,6|H<1>}	119.6880	0.239	2	119.6880	0.057	2	120.6272	1.079	5	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]O[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]O[5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]O[5]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	121.7220	0.048	2	121.7220	0.002	2	120.6272	1.079	5	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]O[5]CC)(C[6a]N[6a]C)	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|N<2>,4|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]C)(H){1|Si<4>,1|C<3>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]O[5]CC)(C[6a]N[6a]C){1|C<3>,3|H<1>}	120.3160	0.000	1	120.3160	0.000	1	120.6272	1.079	5	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[3,5]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[3,5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[3,5]C[3,6]C[5]S[3])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[6a,6a]C[3,5])(C[6a]C[6a]H)(C[5]C[5]HH){1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[3,5]C[3,6]C[5]S[3])(C[5,6a]C[6a]C[5]){1|C<4>,5|C<3>,5|H<1>}	121.6660	0.000	1	121.6660	0.000	1	121.6660	0.000	1	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:Si[5,5]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]Si[5,5])(C[6a]C[6a]H)(C[5]O[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(Si[5,5]C[5,6a]O[5]2)(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[6a,6a]Si[5,5])(C[6a]C[6a]H)(C[5]O[5]CC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|Si<4>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(Si[5,5]C[5,6a]O[5]2)(C[5,6a]C[6a]C[5]){2|H<1>,3|C<4>,5|C<3>}	121.2990	0.211	2	121.2990	0.044	2	121.2990	0.044	2	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]B[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(B[5,5]C[5]O[5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]B[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]CC){1|C<3>,2|F<1>,2|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(B[5,5]C[5]O[5]2)(C[6a]C[6a]H){1|C<3>,2|F<1>,2|H<1>,4|C<4>}	125.8380	0.000	1	125.8380	0.000	1	125.8380	0.000	1	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]HH){1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){2|C<3>,2|C<4>,9|H<1>}	125.7280	0.000	1	125.7280	0.000	1	125.7280	0.000	1	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]B[5]CC)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(P[5]C[6a]2B[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]B[5]CC){1|Br<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|P<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(P[5]C[6a]2B[5])(C[6a]C[6a]H){1|Br<1>,2|C<4>,3|H<1>,5|C<3>}	121.5780	0.000	1	121.2020	0.283	2	121.2020	0.283	2	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]B[5]CC)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(P[5]C[6a]2B[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]B[5]CC){3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|P<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(P[5]C[6a]2B[5])(C[6a]C[6a]H){2|C<4>,4|H<1>,5|C<3>}	120.8260	0.000	1	121.2020	0.283	2	121.2020	0.283	2	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]F)(P[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]C[5]Cl)(C[6a]C[6a]F)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]F)(P[5]C[5]CC){1|Cl<1>,2|C<3>,2|F<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]F)(F){1|B<4>,1|C<3>,1|F<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]C[5]Cl)(C[6a]C[6a]F){2|C<4>,2|F<1>,2|H<1>,3|C<3>}	120.8130	0.006	2	120.8130	0.000	2	120.6190	0.105	10	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]F)(P[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]C[5]F)(C[6a]C[6a]F)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]F)(P[5]C[5]CC){2|C<3>,2|H<1>,3|F<1>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]F)(F){1|B<4>,1|C<3>,1|F<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]C[5]F)(C[6a]C[6a]F){2|C<4>,2|F<1>,2|H<1>,3|C<3>}	120.4900	0.000	1	120.4900	0.000	1	120.6190	0.105	10	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]F)(P[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]C[5]H)(C[6a]C[6a]F)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]F)(P[5]C[5]CC){2|C<3>,2|F<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]F)(F){1|B<4>,1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]C[5]H)(C[6a]C[6a]F){1|F<1>,2|C<4>,3|C<3>,3|H<1>}	120.7980	0.000	1	120.7980	0.000	1	120.6190	0.105	10	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]F)(P[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]C[5]O)(C[6a]C[6a]F)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]F)(P[5]C[5]CC){1|O<2>,2|C<3>,2|F<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]F)(F){1|B<4>,1|C<3>,1|F<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]C[5]O)(C[6a]C[6a]F){2|C<4>,2|F<1>,2|H<1>,3|C<3>}	120.3353	0.262	4	120.5460	0.158	6	120.6190	0.105	10	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]F)(P[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]C[5]O)(C[6a]C[6a]F)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]F)(P[5]C[5]CC){1|O<2>,2|C<3>,2|F<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]F)(F){1|B<4>,1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]C[5]O)(C[6a]C[6a]F){1|F<1>,2|C<4>,3|C<3>,3|H<1>}	120.9675	0.226	2	120.5460	0.158	6	120.6190	0.105	10	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(P[5]O[5]CC)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(P[5]O[5]CC){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]2O[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	123.0710	0.000	1	123.0710	0.000	1	123.0720	0.010	3	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(P[5]O[5]CC)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]O[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(P[5]O[5]CC){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]O[5]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	123.0725	0.138	2	123.0725	0.019	2	123.0720	0.010	3	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]O[5]CW)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]O[5]CW){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,1|W<6>,2|C<4>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H){1|C<4>,1|W<6>,2|H<1>,3|C<3>}	120.5130	0.000	1	120.5130	0.000	1	120.5130	0.000	1	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(S[5]N[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]F)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(S[5]N[5]OO){1|C<4>,2|F<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]F)(F){1|C<3>,1|C<4>,1|F<1>,1|N<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]F){1|C<4>,2|F<1>,2|O<1>,3|C<3>}	122.3543	0.111	4	122.3543	0.012	4	122.3543	0.012	4	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]N[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|F<1>,3|H<1>,3|O<1>}	123.2730	0.000	1	123.2730	0.000	1	123.2730	0.000	1	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]CO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]CO){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	123.1030	0.000	1	123.1030	0.000	1	122.7200	0.277	11	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5]N[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5]N[5]C)(C[6a]C[6a]H){1|C<4>,1|F<1>,2|C<3>,2|O<1>,3|H<1>}	122.8180	0.000	1	122.8180	0.000	1	122.7200	0.277	11	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<1>,4|H<1>}	123.4740	0.000	1	123.4740	0.000	1	122.7200	0.277	11	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5a]N[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5a]N[5]C)(C[6a]C[6a]H){2|O<1>,3|C<3>,3|H<1>}	122.0675	0.445	2	122.0675	0.198	2	122.7200	0.277	11	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]2N[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,5|C<3>}	122.4220	0.355	2	122.6040	0.268	4	122.7200	0.277	11	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]2N[5])(C[6a]C[6a]H){2|O<1>,3|H<1>,5|C<3>}	122.7860	0.738	2	122.6040	0.268	4	122.7200	0.277	11	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]H){2|O<1>,3|C<3>,3|H<1>}	122.9870	0.004	2	122.9870	0.000	2	122.7200	0.277	11	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]S[5])(P[5]C[6a]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<2>,1|P<4>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(P[5]C[6a]2N[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,5|C<3>}	121.5980	0.000	1	121.5980	0.000	1	121.5980	0.000	1	120.8487	1.518	206	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:5:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-5:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]Ru3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Ru<5>,3|Ru<6>,1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<5>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]Ru3)(C[6a]C[6a]H){1|Ru<6>,1|C<3>,4|H<1>}	121.2020	0.000	1	121.2020	0.000	1	121.2020	0.000	1	121.2020	0.000	1	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	4:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,5]N[6a])(C[6a]C[6a,6a]H)(C[5]C[5,5]BrH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])	C[5,6a](C[5,6a]C[5,5]N[6a])(C[6a]C[6a,6a]H)(C[5]C[5,5]BrH){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|Br<1>,1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a]){2|Br<1>,4|C<3>,4|H<1>}	119.8040	0.891	2	119.5235	0.685	6	119.4081	0.664	7	119.4081	0.664	7	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	4:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,5]N[6a])(C[6a]C[6a,6a]H)(C[5]C[5,5]BrH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])	C[5,6a](C[5,6a]C[5,5]N[6a])(C[6a]C[6a,6a]H)(C[5]C[5,5]BrH){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){2|Br<1>,1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a]){2|Br<1>,4|C<3>,4|H<1>}	119.3833	0.894	4	119.5235	0.685	6	119.4081	0.664	7	119.4081	0.664	7	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	4:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,5]N[6a])(C[6a]C[6a,6a]H)(C[5]C[5,5]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])	C[5,6a](C[5,6a]C[5,5]N[6a])(C[6a]C[6a,6a]H)(C[5]C[5,5]HH){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|Br<1>,1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a]){4|C<3>,6|H<1>}	118.7160	0.000	1	118.7160	0.000	1	119.4081	0.664	7	119.4081	0.664	7	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,5]CC)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,5]CC){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[5])(H){1|C<3>,1|H<1>,1|O<2>,6|C<4>}	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|B<3>,1|C<3>,1|O<2>,2|H<1>,3|C<4>}	120.4554	0.470	14	120.4554	0.221	14	120.5594	0.293	16	120.9020	1.449	142	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,5]C[5,6a]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Br)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])2(H){1|C<3>,8|C<4>}	C[5,6a](C[5,5]C[5,6a]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Br){3|C<4>,3|H<1>,5|C<3>}	121.2880	0.550	2	121.2880	0.303	2	120.5594	0.293	16	120.9020	1.449	142	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6]HO)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6]HO){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	121.7885	0.319	2	121.7885	0.102	2	122.8360	3.343	3	120.9020	1.449	142	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6]HO)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6]C[5,6]N[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6]HO){1|Br<1>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[5,6a](C[5,6]C[5,6]N[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|Br<1>,1|C<4>,2|H<1>,2|O<2>,3|C<3>}	124.9310	0.000	1	124.9310	0.000	1	122.8360	3.343	3	120.9020	1.449	142	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(Br)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(C[5]C[5]CC){1|Br<1>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(Br){1|C<3>,1|O<2>,4|C<4>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]Br){1|Br<1>,1|O<2>,3|C<3>,3|C<4>,4|H<1>}	119.9630	0.796	2	119.9630	0.634	2	119.6605	0.345	4	120.9020	1.449	142	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Br){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|Br<1>,1|C<4>,3|C<3>,7|H<1>}	119.3580	0.188	2	119.3580	0.035	2	119.6605	0.345	4	120.9020	1.449	142	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	B[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]B[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](B[5,5]C[5,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]B[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH){3|C<3>,4|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|B<4>,1|C<3>,1|N<4>,3|H<1>}	C[5,6a](B[5,5]C[5,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){2|C<4>,4|H<1>,5|C<3>}	124.6910	0.000	1	124.6910	0.000	1	124.6910	0.000	1	120.9020	1.449	142	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	B[5,6a]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]B[5,6a]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](B[5,6a]O[6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]B[5,6a]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|N<4>,3|H<1>}	C[5,6a](B[5,6a]O[6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|B<3>,2|C<4>,4|H<1>}	122.4337	0.361	3	122.4337	0.130	3	122.4337	0.130	3	120.9020	1.449	142	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5,6,6]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[3,5]C[3,5,6,6]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){5|C<3>,6|H<1>}	120.4570	0.000	1	120.4570	0.000	1	120.6823	0.329	3	120.9020	1.449	142	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[3,5]C[3,5]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,8|H<1>}	120.2560	0.000	1	120.2560	0.000	1	120.6823	0.329	3	120.9020	1.449	142	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HP)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]B[3,3]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HP){1|C<3>,2|B<5>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|P<3>,2|C<4>,2|H<1>}	C[5,6a](C[3,5]B[3,3]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<2>,1|P<3>,5|C<3>,5|H<1>}	121.3340	0.000	1	121.3340	0.000	1	120.6823	0.329	3	120.9020	1.449	142	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CC){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|O<2>,4|C<4>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]Br){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	120.1755	0.793	2	120.1755	0.628	2	120.3716	0.604	59	120.9020	1.449	142	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|O<2>,4|C<4>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	118.5280	0.000	1	119.8957	0.673	7	120.3716	0.604	59	120.9020	1.449	142	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|O<2>,4|C<4>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	120.1237	0.609	6	119.8957	0.673	7	120.3716	0.604	59	120.9020	1.449	142	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,4|C<3>,5|H<1>}	119.6750	0.000	1	119.6750	0.000	1	120.3716	0.604	59	120.9020	1.449	142	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C[5])	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C[5]){1|N<2>,1|O<2>,3|C<3>,3|C<4>,6|H<1>}	121.0595	0.718	6	121.0595	0.515	6	120.3716	0.604	59	120.9020	1.449	142	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,4|C<4>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	119.6232	0.432	4	119.6232	0.187	4	120.3716	0.604	59	120.9020	1.449	142	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CC){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,4|H<1>,5|C<3>}	118.9810	0.000	1	118.9810	0.000	1	120.3716	0.604	59	120.9020	1.449	142	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,1|O<2>,4|C<4>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	119.6412	0.296	6	119.6412	0.088	6	120.3716	0.604	59	120.9020	1.449	142	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CH){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,4|C<3>,5|H<1>}	119.7070	0.354	2	119.8083	0.093	3	120.3716	0.604	59	120.9020	1.449	142	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CH){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|S<4>,5|C<3>,5|H<1>}	120.0110	0.000	1	119.8083	0.093	3	120.3716	0.604	59	120.9020	1.449	142	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|C<4>,1|O<2>,3|C<3>,7|H<1>}	119.8670	0.281	2	120.4998	0.603	4	120.3716	0.604	59	120.9020	1.449	142	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|C<4>,3|C<3>,8|H<1>}	121.1325	0.360	2	120.4998	0.603	4	120.3716	0.604	59	120.9020	1.449	142	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C[5])	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C[5]){1|C<4>,1|N<2>,1|O<2>,3|C<3>,8|H<1>}	121.0030	0.000	1	121.0030	0.000	1	120.3716	0.604	59	120.9020	1.449	142	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|C<4>,3|C<3>,8|H<1>}	120.7267	0.432	7	120.6537	0.229	10	120.3716	0.604	59	120.9020	1.449	142	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|Cl<1>,1|C<4>,3|C<3>,7|H<1>}	121.1440	0.000	1	120.6537	0.229	10	120.3716	0.604	59	120.9020	1.449	142	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|C<4>,4|C<3>,7|H<1>}	120.1530	0.397	2	120.6537	0.229	10	120.3716	0.604	59	120.9020	1.449	142	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,5]C[3,5]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[3,5]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|O<2>,3|C<4>,7|H<1>}	120.4610	0.000	1	120.4610	0.000	1	120.3716	0.604	59	120.9020	1.449	142	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]CH){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	120.4750	0.000	1	120.4750	0.000	1	120.3716	0.604	59	120.9020	1.449	142	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CH){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	120.2950	0.000	1	120.2950	0.000	1	120.3716	0.604	59	120.9020	1.449	142	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CH){1|H<1>,2|C<3>,2|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,6a]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){2|C<4>,3|C<3>,3|H<1>}	120.6153	0.084	3	120.6153	0.007	3	120.3716	0.604	59	120.9020	1.449	142	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]P)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CH){1|H<1>,1|O<2>,1|P<3>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,6a]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]P){2|C<4>,3|C<3>,3|H<1>}	121.2043	0.715	7	121.2043	0.511	7	120.3716	0.604	59	120.9020	1.449	142	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]P)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]HH){1|H<1>,1|O<2>,1|P<3>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,5]C[5,6a]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]P){1|C<4>,3|C<3>,4|H<1>}	120.4790	0.000	1	120.4790	0.000	1	120.3716	0.604	59	120.9020	1.449	142	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,5|C<3>,5|H<1>}	119.8720	0.000	1	119.8720	0.000	1	120.5659	0.277	14	120.9020	1.449	142	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]C[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6]C[6,6a]C[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,6|H<1>}	120.2340	0.000	1	120.2340	0.000	1	120.5659	0.277	14	120.9020	1.449	142	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,4|C<3>,5|H<1>}	120.3680	0.000	1	120.3680	0.000	1	120.5659	0.277	14	120.9020	1.449	142	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6]O[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6]C[6]O[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	120.9867	0.603	3	120.9867	0.364	3	120.5659	0.277	14	120.9020	1.449	142	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]HH){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|H<1>,5|C<3>}	120.6695	0.317	4	120.6695	0.101	4	120.5659	0.277	14	120.9020	1.449	142	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6]O[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6]C[6]O[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,6|H<1>}	120.0370	0.358	2	120.1477	0.101	3	120.5659	0.277	14	120.9020	1.449	142	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6]O[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]HH){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6]C[6]O[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	120.3690	0.000	1	120.1477	0.101	3	120.5659	0.277	14	120.9020	1.449	142	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6]C[6]O[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6]C[6]O[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,6|H<1>}	121.3680	0.000	1	121.3680	0.000	1	120.5659	0.277	14	120.9020	1.449	142	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5]C[3x3,4,3x5,14x6]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<5>,1|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5]C[3x3,4,3x5,14x6]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,4|B<6>,5|H<1>}	119.5340	0.000	1	119.5340	0.000	1	119.5340	0.000	1	120.9020	1.449	142	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	Ga[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]Ga[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](Ga[5,5]C[5,5a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]Ga[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH){3|C<3>,4|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|Ga<4>,1|C<3>,1|N<4>,3|H<1>}	C[5,6a](Ga[5,5]C[5,5a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){2|C<4>,4|H<1>,5|C<3>}	121.1725	0.900	2	121.1725	0.810	2	121.7193	0.672	4	120.9020	1.449	142	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	Ga[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]Ga[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](Ga[5,5]C[5,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]Ga[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH){3|C<3>,4|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|Ga<4>,1|C<3>,1|N<4>,3|H<1>}	C[5,6a](Ga[5,5]C[5,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){2|C<4>,4|H<1>,5|C<3>}	122.2660	0.106	2	122.2660	0.011	2	121.7193	0.672	4	120.9020	1.449	142	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	Ge[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]Ge[5])(C[6a]C[6a]H)(C[5]O[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](Ge[5]C[6a]Ge[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]Ge[5])(C[6a]C[6a]H)(C[5]O[5]CC){1|Ge<4>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|Ge<4>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](Ge[5]C[6a]Ge[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	120.6955	0.555	2	120.6955	0.308	2	120.6955	0.308	2	120.9020	1.449	142	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	In[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]In[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](In[5,5]C[5,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]In[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH){3|C<3>,4|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|In<4>,1|C<3>,1|N<4>,3|H<1>}	C[5,6a](In[5,5]C[5,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){2|C<4>,4|H<1>,5|C<3>}	121.4440	0.000	1	121.4440	0.000	1	121.4440	0.000	1	120.9020	1.449	142	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	P[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](P[5]C[6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|P<4>,3|C<3>}	C[5,6a](P[5]C[6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|C<4>,2|H<1>,7|C<3>}	120.6360	0.000	1	120.6360	0.000	1	120.6360	0.000	1	120.9020	1.449	142	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	S[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]S[4,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](S[4,5]C[4]N[4]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]S[4,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,1|S<4>,2|C<4>}	C[5,6a](S[4,5]C[4]N[4]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	119.1700	0.164	2	119.1700	0.027	2	119.1700	0.027	2	120.9020	1.449	142	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	Se[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]Se[4,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](Se[4,5]C[4]N[4]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]Se[4,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Se<4>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](Se[4,5]C[4]N[4]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	118.8880	0.000	1	118.8880	0.000	1	118.8880	0.000	1	120.9020	1.449	142	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	Si[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]Si[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](Si[5,5]C[5,6a]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]Si[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](Si[5,5]C[5,6a]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){2|H<1>,3|C<3>,3|C<4>}	121.3115	0.018	2	121.3115	0.000	2	121.3115	0.000	2	120.9020	1.449	142	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	Si[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](Si[5]C[6a]C[5]Rh)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|Rh<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	C[5,6a](Si[5]C[6a]C[5]Rh)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|C<4>,3|C<3>,5|H<1>}	121.6050	0.000	1	121.6050	0.000	1	122.0940	0.327	5	120.9020	1.449	142	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	Si[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]O[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](Si[5]C[6a]Si[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]O[5]CC){1|Si<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](Si[5]C[6a]Si[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	122.2163	0.580	4	122.2163	0.337	4	122.0940	0.327	5	120.9020	1.449	142	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5a,6a]H)(C[5]C[5]CC)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5a,6a]H)(C[5]C[5]CC){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(H){1|C<3>,1|H<1>,2|N<2>,4|C<4>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){1|N<2>,3|C<3>,3|C<4>,5|H<1>}	122.3570	0.000	1	122.3570	0.000	1	122.3570	0.000	1	120.9020	1.449	142	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,6]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,6]HH){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){3|C<4>,4|C<3>,5|H<1>}	120.7585	0.159	2	120.7585	0.025	2	120.7585	0.025	2	120.9020	1.449	142	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,6]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,6]HH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){2|C<3>,3|H<1>,4|C<4>}	120.9010	0.000	1	120.9010	0.000	1	120.3060	0.708	2	120.9020	1.449	142	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a,6a]H)(C[5]N[5,6]CH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a,6a]H)(C[5]N[5,6]CH){1|S<4>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	119.7110	0.000	1	119.7110	0.000	1	120.3060	0.708	2	120.9020	1.449	142	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:O-1:	C[5,6]-4:C[5,6a]-3:N[6a]-3:	C[5,6a](C[5,6a]C[5,6]N[6a])(C[6a]C[6a,6a]O)(C[5]N[5,6]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(O)	C[5,6a](C[5,6]N[5,6]C[6]C)(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a]H)	C[5,6a](C[5,6a]C[5,6]N[6a])(C[6a]C[6a,6a]O)(C[5]N[5,6]HH){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(O){1|C<4>,2|C<3>,2|N<3>,3|H<1>}	C[5,6a](C[5,6]N[5,6]C[6]C)(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	122.2535	1.334	2	122.2535	1.780	2	122.2535	1.780	2	120.9020	1.449	142	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]N[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|O<1>,4|H<1>}	123.2340	0.000	1	123.2340	0.000	1	123.0258	0.137	12	120.9020	1.449	142	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]N[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|O<1>,3|C<3>,5|H<1>}	122.9680	0.000	1	123.0760	0.104	10	123.0258	0.137	12	120.9020	1.449	142	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]N[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	123.2153	0.293	3	123.0760	0.104	10	123.0258	0.137	12	120.9020	1.449	142	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]N[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,4|H<1>,5|C<3>}	123.1300	0.421	2	123.0760	0.104	10	123.0258	0.137	12	120.9020	1.449	142	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]N[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,1|I<1>,2|H<1>,2|O<1>,4|C<3>}	122.6410	0.000	1	123.0760	0.104	10	123.0258	0.137	12	120.9020	1.449	142	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]N[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]N[5]OO){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,3|H<1>,5|C<3>}	123.0817	0.402	3	123.0760	0.104	10	123.0258	0.137	12	120.9020	1.449	142	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]N[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]N[5]2)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]N[5]OO){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5,6a](C[5,5]C[5,6a]N[5]2)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,3|H<1>,5|C<3>}	122.3160	0.000	1	122.3160	0.000	1	123.0258	0.137	12	120.9020	1.449	142	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[5]N[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6]N[5]S[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,2|O<1>}	C[5,6a](C[5,6]C[6]N[5]S[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	122.5970	0.000	1	122.5970	0.000	1	122.5970	0.000	1	120.9020	1.449	142	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	5:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	As[5,5]-5:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]As[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](As[5,5]C[5,6a]O[5]2C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]As[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|As<5>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](As[5,5]C[5,6a]O[5]2C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	119.2401	0.529	12	119.2401	0.280	12	119.2775	0.217	20	120.7027	1.808	57	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	5:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	As[5,5]-5:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]As[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](As[5,5]C[5,6a]O[5]2I)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]As[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC){1|I<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|As<5>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](As[5,5]C[5,6a]O[5]2I)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	119.0080	0.000	1	119.0080	0.000	1	119.2775	0.217	20	120.7027	1.808	57	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	5:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	As[5,5]-5:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]As[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](As[5,5]C[5,6a]O[5]2O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]As[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC){2|C<3>,2|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|As<5>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](As[5,5]C[5,6a]O[5]2O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	119.3801	0.385	7	119.3801	0.148	7	119.2775	0.217	20	120.7027	1.808	57	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	5:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	Ge[5,5]-5:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]Ge[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](Ge[5,5]C[5,6a]Ge[5,5]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]Ge[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC){1|Ge<5>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|Ge<5>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](Ge[5,5]C[5,6a]Ge[5,5]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<4>,5|C<3>}	120.0078	0.921	4	120.0078	0.848	4	120.2555	0.661	6	120.7027	1.808	57	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	5:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	Ge[5,5]-5:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]Ge[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](Ge[5,5]C[5,6a]O[5]2Fe)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]Ge[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC){1|Fe<8>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|Ge<5>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](Ge[5,5]C[5,6a]O[5]2Fe)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	120.7510	0.150	2	120.7510	0.022	2	120.2555	0.661	6	120.7027	1.808	57	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	5:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	P[4,5]-5:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]P[4,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](P[4,5]C[6a]C[4]O[4]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]P[4,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,1|P<5>,2|C<4>}	C[5,6a](P[4,5]C[6a]C[4]O[4]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	121.1448	0.269	4	121.1448	0.072	4	121.1448	0.072	4	120.7027	1.808	57	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	5:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	P[5,5]-5:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](P[5,5]C[5,6a]C[6a]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,1|P<5>,2|C<4>}	C[5,6a](P[5,5]C[5,6a]C[6a]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,3|C<4>,5|C<3>}	121.8832	0.853	17	121.8832	0.727	17	121.8492	0.658	24	120.7027	1.808	57	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	5:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	P[5,5]-5:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](P[5,5]C[5,6a]O[5]2C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,1|P<5>,2|C<4>}	C[5,6a](P[5,5]C[5,6a]O[5]2C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	121.8000	0.000	1	121.7669	0.574	7	121.8492	0.658	24	120.7027	1.808	57	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	5:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	P[5,5]-5:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](P[5,5]C[5,6a]O[5]2C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,1|P<5>,2|C<4>}	C[5,6a](P[5,5]C[5,6a]O[5]2C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	121.7613	0.830	6	121.7669	0.574	7	121.8492	0.658	24	120.7027	1.808	57	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	5:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	S[4,5]-5:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]S[4,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](S[4,5]C[4]N[4]O[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]S[4,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,1|S<5>,2|C<4>}	C[5,6a](S[4,5]C[4]N[4]O[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	119.9530	0.000	1	119.9530	0.000	1	119.9530	0.000	1	120.7027	1.808	57	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	5:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	Si[5,5]-5:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]Si[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](Si[5,5]C[5,6a]Si[5,5]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]Si[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC){1|Si<5>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Si<5>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](Si[5,5]C[5,6a]Si[5,5]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<4>,5|C<3>}	122.0285	0.457	2	122.0285	0.209	2	122.0285	0.209	2	120.7027	1.808	57	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	6:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	P[5,5]-6:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](P[5,5]C[5,6a]O[5]2HH)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC){1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,1|P<6>,2|C<4>}	C[5,6a](P[5,5]C[5,6a]O[5]2HH)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	121.7080	0.562	5	121.7080	0.316	5	121.7080	0.316	5	121.7080	0.316	5	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:2:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6,6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]O)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]O)(C[5]C[5]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(OH){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]O)(O[5]C[5]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	119.0633	0.392	4	119.0178	0.126	5	119.0178	0.126	5	118.7565	0.578	13	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:2:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6,6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]O)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]O)(C[5]C[5]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(OH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]O)(O[5]C[5]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	118.8360	0.000	1	119.0178	0.126	5	119.0178	0.126	5	118.7565	0.578	13	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:2:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C)(OH)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(O[5]C[5])	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<3>,1|O<1>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C)(OH){2|C<3>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(O[5]C[5]){1|O<1>,2|C<3>,2|O<2>,4|H<1>}	119.6220	0.000	1	119.6220	0.000	1	119.6220	0.000	1	118.7565	0.578	13	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:2:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(C[5]C[5]HH){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	118.3155	0.878	2	118.3155	0.770	2	118.1313	0.487	3	118.7565	0.578	13	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:2:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OS)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(C[5]C[5]HH){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OS){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<2>,2|C<3>,4|H<1>}	117.7630	0.000	1	117.7630	0.000	1	118.1313	0.487	3	118.7565	0.578	13	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:2:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(OC){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	119.2915	1.180	2	119.2915	1.393	2	119.2915	1.393	2	118.7565	0.578	13	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:2:	3:3:2:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(P[5]C[5]CO)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(P[5]C[5]CO){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(OC){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	117.6880	0.000	1	118.0730	0.296	2	118.0730	0.296	2	118.7565	0.578	13	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:2:	3:3:2:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(P[5]C[5]CO)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(P[5]C[5]CO){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	118.4580	0.000	1	118.0730	0.296	2	118.0730	0.296	2	118.7565	0.578	13	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:2:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:N-2:	C[5a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]N)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]C)(NC)	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]O)	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]N)(C[5]C[5]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]C)(NC){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]O){1|N<2>,1|S<2>,2|C<3>,5|H<1>}	121.9040	0.000	1	121.9040	0.000	1	121.9040	0.000	1	120.6490	1.971	32	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:2:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:N[6a]-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5,6a]HO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5,6a]HO){6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(N[6a]C[6a]){1|O<2>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2){1|N<2>,1|O<2>,2|H<1>,6|C<3>}	119.0010	0.000	1	119.0010	0.000	1	119.0010	0.000	1	120.6490	1.971	32	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:2:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]CC){1|C<3>,1|H<1>,1|O<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC){3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]O){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	122.1210	0.000	1	122.1210	0.000	1	120.3792	1.325	20	120.6490	1.971	32	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:2:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]CH){1|C<3>,1|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]C){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	120.8060	0.266	2	120.8060	0.071	2	120.3792	1.325	20	120.6490	1.971	32	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:2:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]CO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]CO){1|C<3>,1|O<1>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH){2|C<3>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,2|H<1>,3|O<2>}	118.1600	0.000	1	118.1600	0.000	1	120.3792	1.325	20	120.6490	1.971	32	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:2:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]CO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]CO){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]2){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>,2|O<2>}	121.4920	0.204	2	121.4920	0.041	2	120.3792	1.325	20	120.6490	1.971	32	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:2:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OH){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	119.5510	0.000	1	119.5510	0.000	1	120.3792	1.325	20	120.6490	1.971	32	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:2:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]2){1|O<2>,1|S<2>,2|C<3>,2|C<4>,3|H<1>}	121.5490	0.185	2	121.2194	0.400	5	120.3792	1.325	20	120.6490	1.971	32	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:2:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]2){1|O<2>,1|S<3>,2|C<3>,2|C<4>,3|H<1>}	120.9997	0.776	3	121.2194	0.400	5	120.3792	1.325	20	120.6490	1.971	32	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:2:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	119.6165	1.105	2	119.6165	1.221	2	120.3792	1.325	20	120.6490	1.971	32	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:2:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<3>,1|O<1>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<2>,5|H<1>}	119.4380	0.000	1	119.4380	0.000	1	120.3792	1.325	20	120.6490	1.971	32	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:2:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]CH){1|C<3>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.1155	0.711	2	120.1155	0.505	2	120.3792	1.325	20	120.6490	1.971	32	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:2:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]HH){1|C<3>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|O<2>,4|H<1>}	120.4050	0.000	1	120.4050	0.000	1	120.3792	1.325	20	120.6490	1.971	32	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:2:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]CH){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	118.8755	0.107	2	118.8755	0.011	2	120.3792	1.325	20	120.6490	1.971	32	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:2:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	118.9410	0.000	1	118.9410	0.000	1	119.4645	0.548	2	120.6490	1.971	32	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:2:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]CO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]CO){1|C<3>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	119.9880	0.000	1	119.9880	0.000	1	119.4645	0.548	2	120.6490	1.971	32	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:2:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]O)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]C)(OH)	C[5,6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[6a]C[5])(C[5]O[5]O)	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]O)(C[5]O[5]HH){1|C<3>,1|C<4>,1|O<1>,1|S<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]C)(OH){1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[6a]C[5])(C[5]O[5]O){1|O<2>,2|H<1>,3|C<3>}	121.8690	0.000	1	121.8690	0.000	1	121.8690	0.000	1	120.6490	1.971	32	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:2:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]O)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6,6a]H)(OH)	C[5,6a](C[6,6a]C[6,6a]C[4,6])(C[5,6a]C[6a]C[5])(C[5]O[5]O)	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]O)(C[5]O[5]HH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6,6a]H)(OH){2|C<3>,2|H<1>,2|O<2>}	C[5,6a](C[6,6a]C[6,6a]C[4,6])(C[5,6a]C[6a]C[5])(C[5]O[5]O){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	119.9570	0.000	1	119.9570	0.000	1	120.2390	0.159	2	120.6490	1.971	32	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:2:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]O)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6,6a]H)(OH)	C[5,6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[6a]C[5])(C[5]O[5]O)	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]O)(C[5]O[5]HH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6,6a]H)(OH){2|C<3>,2|H<1>,2|O<2>}	C[5,6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[6a]C[5])(C[5]O[5]O){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	120.5210	0.000	1	120.5210	0.000	1	120.2390	0.159	2	120.6490	1.971	32	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:2:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:S-2:	C[5a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]S)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]C)(SC)	C[5,6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[6a]C[5])(C[5]O[5]O)	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]S)(C[5]O[5]HH){1|C<3>,1|C<4>,1|O<1>,1|S<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]C)(SC){1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[6a]C[5])(C[5]O[5]O){1|S<2>,2|H<1>,3|C<3>}	122.5345	0.271	2	122.5345	0.073	2	122.5345	0.073	2	120.6490	1.971	32	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:2:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]HS)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(OH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]HS){5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(OH){1|S<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5]){1|O<2>,1|S<4>,2|H<1>,6|C<3>}	121.3220	0.000	1	121.3220	0.000	1	121.3220	0.000	1	120.6490	1.971	32	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:2:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]O[5]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]O[5]HH){1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(OC){1|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]O[5]O){1|O<2>,2|C<3>,2|H<1>}	119.8890	0.000	1	119.8890	0.000	1	119.8890	0.000	1	120.6490	1.971	32	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:2:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[5,6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)(S[5]C[5]OO)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]S[5])(OC)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]O)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)(S[5]C[5]OO){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]S[5])(OC){1|H<1>,1|S<4>,2|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]O)(C[5]C[5]H){1|O<2>,1|S<4>,2|C<3>,2|O<1>}	124.7250	0.000	1	124.7250	0.000	1	124.7250	0.000	1	120.6490	1.971	32	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:2:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5,6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Br)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)(C[5]C[5]CC){1|Br<1>,1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])2(OC){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Br)(C[5]C[5]CC){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	120.4030	0.164	2	120.4030	0.027	2	119.5216	0.399	12	120.4412	0.967	44	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:2:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5,6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])2(OH){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	119.5722	0.262	4	119.5722	0.069	4	119.5216	0.399	12	120.4412	0.967	44	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:2:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5,6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]S)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)(C[5]C[5]CC){1|C<3>,1|S<2>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])2(OH){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]S)(C[5]C[5]CC){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	119.9025	0.472	2	119.9025	0.222	2	119.5216	0.399	12	120.4412	0.967	44	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:2:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5,6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(OTi)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])2(OTi){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	118.8397	0.269	4	118.8397	0.072	4	119.5216	0.399	12	120.4412	0.967	44	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:2:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5,6a]-3:P-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]P)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(PSi)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]P)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])2(PSi){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|C<3>,1|P<2>,2|H<1>,3|C<4>}	120.4780	0.000	1	120.4780	0.000	1	120.4780	0.000	1	120.4412	0.967	44	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:2:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5,6a]-3:S-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]S)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(SS)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]S)(C[5]C[5]CC){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])2(SS){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)(C[5]C[5]CC){1|C<3>,1|S<2>,2|H<1>,3|C<4>}	120.3470	0.274	2	120.3470	0.075	2	120.3470	0.075	2	120.4412	0.967	44	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:2:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6,6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]O)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]O)(C[5]O[5]HH){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(OH){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]O[5]HH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.4610	0.000	1	120.4610	0.000	1	120.4610	0.000	1	120.4412	0.967	44	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:2:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C[6a])(CC)	C[5,6a](C[5,6a]C[5,6a]Se[5])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|Se<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C[6a])(CC){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]Se[5])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|C<2>,2|H<1>,5|C<3>}	120.9045	0.043	2	120.9045	0.002	2	120.9045	0.002	2	120.4412	0.967	44	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:2:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|Cl<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(CC){2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]C[5]HH){1|C<2>,3|C<3>,3|H<1>}	121.7545	0.124	2	121.7545	0.015	2	121.5422	0.150	4	120.4412	0.967	44	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:2:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(CN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(CN){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH){2|C<2>,3|C<3>,4|H<1>}	120.9730	0.000	1	120.9730	0.000	1	121.5422	0.150	4	120.4412	0.967	44	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:2:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Si)(CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]HH){1|Cl<1>,1|Si<4>,1|C<3>,1|S<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Si)(CC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]HH){1|C<2>,1|C<3>,1|S<4>,3|H<1>}	121.6870	0.000	1	121.6870	0.000	1	121.5422	0.150	4	120.4412	0.967	44	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:2:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]C[6a])(CC)	C[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]C[6a])(CC){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|C<2>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	122.2520	0.000	1	122.2520	0.000	1	122.2520	0.000	1	120.4412	0.967	44	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:2:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]C[6a])(CC)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]C[6a])(CC){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|C<2>,2|H<1>,6|C<3>}	121.9080	0.000	1	121.9080	0.000	1	121.9080	0.000	1	120.4412	0.967	44	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:2:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]HH){1|C<3>,1|N<2>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NC){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]HH){1|C<3>,1|N<2>,5|H<1>}	120.9200	0.000	1	120.9200	0.000	1	120.9200	0.000	1	120.4412	0.967	44	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:2:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6a])(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]C[6a])(N[6a]C[6a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6a])(C[5]C[5]HH){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]C[6a])(N[6a]C[6a]){2|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|N<2>,2|H<1>,4|C<3>}	118.6650	0.000	1	118.6650	0.000	1	118.9007	0.143	3	120.4412	0.967	44	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:2:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6a])(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6a])(N[6a]C[6a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6a])(C[5]C[5]HH){1|N<2>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6a])(N[6a]C[6a]){1|C<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<2>,1|N<2>,3|C<3>,4|H<1>}	119.3370	0.000	1	119.3370	0.000	1	118.9007	0.143	3	120.4412	0.967	44	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:2:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6a])(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6a])(N[6a]C[6a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6a])(C[5]C[5]HH){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6a])(N[6a]C[6a]){2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|N<2>,2|H<1>,4|C<3>}	118.7000	0.000	1	118.7000	0.000	1	118.9007	0.143	3	120.4412	0.967	44	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:2:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|Br<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(OC){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|O<2>,3|C<3>,3|H<1>}	121.2950	0.014	2	121.2950	0.000	2	120.8601	0.357	16	120.4412	0.967	44	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:2:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<3>,2|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	120.0620	0.376	2	120.0620	0.142	2	120.8601	0.357	16	120.4412	0.967	44	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:2:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|Br<1>,1|O<2>,2|H<1>,3|C<3>}	120.8495	0.122	2	120.8377	0.023	6	120.8601	0.357	16	120.4412	0.967	44	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:2:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|O<2>,3|C<3>,3|H<1>}	120.8317	0.184	4	120.8377	0.023	6	120.8601	0.357	16	120.4412	0.967	44	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:2:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,2|O<2>,4|H<1>}	120.1360	0.000	1	120.1360	0.000	1	120.8601	0.357	16	120.4412	0.967	44	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:2:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OH){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	121.0805	0.104	2	121.0805	0.011	2	120.8601	0.357	16	120.4412	0.967	44	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:2:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HN){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OH){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	122.4290	0.000	1	122.4290	0.000	1	120.8601	0.357	16	120.4412	0.967	44	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:2:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]HH){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,1|O<2>,3|H<1>}	121.0040	0.000	1	120.6475	0.254	2	120.8601	0.357	16	120.4412	0.967	44	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:2:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]HH){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|O<2>,2|C<3>,2|H<1>}	120.2910	0.000	1	120.6475	0.254	2	120.8601	0.357	16	120.4412	0.967	44	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:2:	3:4:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:O[6a]-2:	C[5,6a](C[5,6a]O[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HH)(O[6a]C[6a])	C[5,6a](C[5,6a]O[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<3>,1|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OC){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HH)(O[6a]C[6a]){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	116.7780	0.000	1	116.7780	0.000	1	116.7780	0.000	1	116.7780	0.000	1	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:2:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]O){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	120.8320	0.000	1	120.8320	0.000	1	120.8320	0.000	1	121.2210	1.530	4	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:2:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]HH){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	120.5030	0.280	2	120.5030	0.078	2	120.5030	0.078	2	121.2210	1.530	4	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:2:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]N[5]CC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a,6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]N[5]CC){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(OH){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a,6a]O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	123.0460	0.000	1	123.0460	0.000	1	123.0460	0.000	1	121.2210	1.530	4	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:2:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:O[5]-2:	C[5,6a](C[5,6a]N[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(O[5]C[5])	C[5,6a](C[5,6a]N[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<2>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(O[5]C[5]){3|H<1>,4|C<3>}	117.2810	0.000	1	117.2810	0.000	1	117.2810	0.000	1	117.8434	0.791	7	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:2:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:N[5a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:O[5]-2:	C[5,6a](C[5,6a]N[6a]O[5])(C[6a]C[6a]N[5a])(C[5]C[4,5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(O[5]C[4,5])	C[5,6a](C[5,6a]N[6a]O[5])(C[6a]C[6a]N[5a])(C[5]C[4,5]HH){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(O[5]C[4,5]){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	116.9625	0.340	2	116.9625	0.116	2	117.1517	0.165	3	117.8434	0.791	7	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:2:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:N[5a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:O[5]-2:	C[5,6a](C[5,6a]N[6a]O[5])(C[6a]C[6a]N[5a])(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]F)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(O[5]C[5])	C[5,6a](C[5,6a]N[6a]O[5])(C[6a]C[6a]N[5a])(C[5]C[5]HH){1|F<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]F){1|C<4>,1|N<2>,1|O<2>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(O[5]C[5]){1|C<3>,1|N<3>,5|H<1>}	117.5300	0.000	1	117.5300	0.000	1	117.1517	0.165	3	117.8434	0.791	7	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:2:2:	C[6a]-3:C[5,6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:O[5]-2:	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]N[6a]O[5])(C[5]C[5]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(O[5]C[5])	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]N[6a]O[5])(C[5]C[5]HH){2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2){1|C<4>,1|N<2>,1|O<2>,4|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(O[5]C[5]){3|C<3>,4|H<1>}	118.9610	0.027	2	118.9610	0.001	2	118.9610	0.001	2	117.8434	0.791	7	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:2:2:	C[6a]-3:C[5,6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:S[5]-2:	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]N[6a]S[5])(C[5]C[5]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(S[5]C[5])	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]N[6a]S[5])(C[5]C[5]HH){2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2){1|C<4>,1|N<2>,1|S<2>,4|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(S[5]C[5]){3|C<3>,4|H<1>}	118.2460	0.000	1	118.2460	0.000	1	118.2460	0.000	1	117.8434	0.791	7	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:2:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]N[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<3>,1|C<4>,2|N<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]N[6a]2){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C){3|C<3>,4|H<1>}	117.2980	0.000	1	117.2980	0.000	1	117.2980	0.000	1	119.7100	2.029	5	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:2:3:	C[6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5,6a](C[6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])2(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[5,6a])(C[5]C[5]C)	C[5,6a](C[6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[5]C[5]HH){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])2(C[6a]C[6a]2){1|N<2>,2|C<4>,4|C<3>,6|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[5,6a])(C[5]C[5]C){3|C<3>,4|H<1>}	120.0995	0.631	2	120.0995	0.399	2	120.0995	0.399	2	119.7100	2.029	5	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:2:3:	C[6a]-3:C[5,6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]N[6a]C[5])(C[5]O[5]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]O[5]O)	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]N[6a]C[5])(C[5]O[5]HH){1|O<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2){1|N<2>,1|O<2>,5|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]O[5]O){2|H<1>,3|C<3>}	120.5265	0.514	2	120.5265	0.264	2	120.5265	0.264	2	119.7100	2.029	5	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:2:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6,6a]-3:N-3:	C[5,6a]-3:N[6a]-2:C[5]-4:	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6,6a]N)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(NCC)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6,6a])(C[5]C[5]HH)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6,6a]N)(C[5]C[5]HH){1|C<3>,1|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(NCC){1|N<2>,4|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6,6a])(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	118.2970	0.000	1	118.2970	0.000	1	118.2970	0.000	1	120.6160	10.756	2	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:2:4:	C[6a]-3:C[5,6a]-3:S[5]-4:	C[5a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:C[5]-4:	C[5,6a](C[6a]C[5a,6a]C[6a])(C[5,6a]N[6a]C[5])(S[5]C[5]OO)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]S[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5a,6a])(C[5]C[5]HH)	C[5,6a](C[6a]C[5a,6a]C[6a])(C[5,6a]N[6a]C[5])(S[5]C[5]OO){4|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]S[5])(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>,2|N<2>,2|O<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5a,6a])(C[5]C[5]HH){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	122.9350	0.000	1	122.9350	0.000	1	122.9350	0.000	1	120.6160	10.756	2	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(CCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]C)(C[5]C[5]HH){1|C<3>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(CCH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	121.3830	0.000	1	121.3830	0.000	1	121.3830	0.000	1	119.4386	0.941	19	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]HH){6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2){1|N<2>,4|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a]){3|H<1>,5|C<3>}	119.8805	0.168	2	119.8805	0.028	2	119.8805	0.028	2	119.4386	0.941	19	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CC){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(COO){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	118.9440	0.000	1	118.9440	0.000	1	119.2667	0.700	11	119.4386	0.941	19	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CNO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CC){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	119.1570	0.445	2	119.1570	0.198	2	119.2667	0.700	11	119.4386	0.941	19	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CNO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CC){1|C<3>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CNO){1|C<3>,2|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	118.6390	0.000	1	118.6390	0.000	1	119.2667	0.700	11	119.4386	0.941	19	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CC){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CCO){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	119.5260	0.000	1	119.5260	0.000	1	119.2667	0.700	11	119.4386	0.941	19	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCN){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	120.3460	0.782	2	119.5640	2.140	3	119.2667	0.700	11	119.4386	0.941	19	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCN){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	118.0000	0.000	1	119.5640	2.140	3	119.2667	0.700	11	119.4386	0.941	19	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CN){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CCH){1|C<4>,1|N<3>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	119.6005	1.012	2	119.6005	1.024	2	119.2667	0.700	11	119.4386	0.941	19	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCN){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	118.6180	0.000	1	118.6180	0.000	1	119.2667	0.700	11	119.4386	0.941	19	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]N)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NOO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]N)(C[5]C[5]HH){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	117.2210	0.000	1	117.2210	0.000	1	117.2210	0.000	1	119.4386	0.941	19	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]HH){6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2){1|N<2>,1|O<2>,4|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a]){3|H<1>,5|C<3>}	119.7240	0.000	1	119.8083	0.025	3	119.8083	0.025	3	119.4386	0.941	19	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]HH){6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2){1|N<2>,5|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a]){3|H<1>,5|C<3>}	119.8505	0.197	2	119.8083	0.025	3	119.8083	0.025	3	119.4386	0.941	19	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:2:	C[6a]-3:C[5,6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:N[6a]-2:	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]N[6a]N[5])(C[5]C[5]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[6a,6a])	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]N[6a]N[5])(C[5]C[5]HH){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2){1|C<4>,1|N<2>,1|N<3>,4|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[6a,6a]){4|H<1>,5|C<3>}	119.6090	0.000	1	119.6090	0.000	1	119.6090	0.000	1	119.4386	0.941	19	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[4,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[4,6a]C[6a])(C[5]C[5,6a]HH)	C[6a](C[4,6a]C[4,6a]C[4])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[4,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[4,6a]C[6a])(C[5]C[5,6a]HH){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[4,6a]C[4,6a]C[4])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2){1|C<4>,5|C<3>,6|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[4,6a]H){1|C<4>,3|H<1>,4|C<3>}	122.0250	0.000	1	122.0250	0.000	1	122.0250	0.000	1	121.2491	2.689	44	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a]C[6a])(C[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[5a]C[5a]N[5a])(C[6a]C[6a]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a]C[6a])(C[5]N[5]HH){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5a]C[5a]N[5a])(C[6a]C[6a]N){2|N<3>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){2|C<3>,4|H<1>}	122.0590	0.000	1	122.0590	0.000	1	122.0590	0.000	1	121.2491	2.689	44	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6,6a]-3:C-3:	C[6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]N[6])(COO)	C[5,6a](C[6a]C[6,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]C)(C[5]C[5]HH){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]N[6])(COO){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	C[5,6a](C[6a]C[6,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]O){1|S<2>,4|C<3>,4|H<1>}	120.3780	0.000	1	120.3780	0.000	1	120.3780	0.000	1	121.2491	2.689	44	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CNN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,1|N<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CNN){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){2|C<3>,5|H<1>}	118.9470	0.000	1	118.9470	0.000	1	118.9470	0.000	1	121.2491	2.689	44	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CCC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CCC){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	121.0550	0.000	1	121.0550	0.000	1	120.9024	1.060	7	121.2491	2.689	44	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(CCC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|Cl<1>,1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(CCC){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	121.5070	0.000	1	121.5070	0.000	1	120.9024	1.060	7	121.2491	2.689	44	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(CCC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<3>,1|F<1>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(CCC){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	120.9120	0.000	1	120.9120	0.000	1	120.9024	1.060	7	121.2491	2.689	44	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCC){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	121.6630	0.479	2	121.6630	0.230	2	120.9024	1.060	7	121.2491	2.689	44	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CHO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<3>,1|S<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CHO){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<4>,2|C<3>,4|H<1>}	118.7660	0.000	1	118.7660	0.000	1	120.9024	1.060	7	121.2491	2.689	44	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CC[6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CC[6a]C){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){2|C<3>,5|H<1>}	120.7510	0.000	1	120.7510	0.000	1	120.9024	1.060	7	121.2491	2.689	44	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(CCC)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH){1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(CCC){1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]O[5]O){3|H<1>,4|C<3>}	121.8210	0.000	1	121.8210	0.000	1	121.8210	0.000	1	121.2491	2.689	44	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|O<1>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,5|H<1>}	119.7480	0.000	1	119.7480	0.000	1	119.7480	0.000	1	121.2491	2.689	44	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|S<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]S){4|H<1>,5|C<3>}	119.9940	0.000	1	119.9940	0.000	1	119.9940	0.000	1	121.2491	2.689	44	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]C)(C[6a]C[6a]2)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]S)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]C)(C[6a]C[6a]2){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]S){4|C<3>,5|H<1>}	121.2270	0.000	1	121.2270	0.000	1	120.9297	0.067	4	121.2491	2.689	44	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]S)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|S<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|N<3>,4|H<1>,6|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]S){4|C<3>,5|H<1>}	121.0650	0.000	1	121.0650	0.000	1	120.9297	0.067	4	121.2491	2.689	44	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]C){4|C<3>,5|H<1>}	120.7135	0.030	2	120.7135	0.001	2	120.9297	0.067	4	121.2491	2.689	44	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]HH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NHH){1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.0523	0.166	4	121.0523	0.027	4	119.6818	4.788	6	121.2491	2.689	44	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NOO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]HH){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NOO){1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|N<3>,2|C<3>,3|H<1>}	116.9410	1.150	2	116.9410	1.322	2	119.6818	4.788	6	121.2491	2.689	44	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]N)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]C)(NCH)	C[5,6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[6a]C[5])(C[5]O[5]O)	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]N)(C[5]O[5]HH){1|C<4>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]C)(NCH){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[6a]C[5])(C[5]O[5]O){2|H<1>,2|N<3>,3|C<3>}	121.0145	0.387	2	121.0145	0.150	2	121.0145	0.150	2	121.2491	2.689	44	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]C)(NCH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N)(C[5]O[5]HH){1|C<4>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]C)(NCH){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]O[5]O){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	120.9960	0.000	1	121.1145	0.028	2	121.1145	0.028	2	121.2491	2.689	44	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]C)(NCH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N)(C[5]O[5]HH){1|C<4>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]C)(NCH){1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]O[5]O){1|N<3>,3|C<3>,3|H<1>}	121.2330	0.000	1	121.1145	0.028	2	121.1145	0.028	2	121.2491	2.689	44	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:N[6]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N[6])(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(N[6]C[6]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N[6])(C[5]C[5]HH){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|N<3>,3|C<4>,7|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	121.0505	0.194	2	121.0505	0.038	2	121.0505	0.038	2	121.2491	2.689	44	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C)(C[5]C[5,6a]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(COO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C)(C[5]C[5,6a]HH){5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(COO){3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]C){3|H<1>,5|C<3>}	120.9740	0.000	1	120.9740	0.000	1	120.9740	0.000	1	121.2491	2.689	44	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C)(C[5]C[5,6a]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(COO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C)(C[5]C[5,6a]HH){5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(COO){3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5]){3|H<1>,7|C<3>}	120.7780	0.000	1	120.7780	0.000	1	120.7780	0.000	1	121.2491	2.689	44	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]N[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]N[6]H){1|H<1>,2|C<4>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2){1|N<3>,4|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){1|N<3>,2|H<1>,5|C<3>}	122.2200	0.940	2	122.2200	0.884	2	122.2200	0.884	2	121.2491	2.689	44	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C[6])(S[5]C[5,6a]OO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6]C[6]N[6])(C[6a]C[6a]Pt)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C[6])(S[5]C[5,6a]OO){1|Pt<4>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6]C[6]N[6])(C[6a]C[6a]Pt){2|H<1>,2|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	121.8270	0.000	1	121.8270	0.000	1	121.8270	0.000	1	121.2491	2.689	44	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(S[5]C[5,6a]OO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]S[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(S[5]C[5,6a]OO){7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]S[5])(C[6a]C[6a]2){2|O<1>,3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5]){1|H<1>,2|O<1>,7|C<3>}	124.5637	0.315	4	124.5637	0.099	4	124.5637	0.099	4	121.2491	2.689	44	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:Si[5]-4:	C[5,6a]-3:C[6a]-3:N[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(Si[5]C[5,6a]CC)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]2)(N[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(Si[5]C[5,6a]CC){1|C<4>,6|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]2)(N[6a]C[6a]2){1|C<2>,1|C<4>,1|O<1>,2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]C){1|C<2>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	119.8140	0.000	1	119.8140	0.000	1	119.8140	0.000	1	121.2491	2.689	44	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:Si[5]-4:	C[6,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6,6a]C[6a])(Si[5]C[5,6a]CC)	C[6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]2)	C[5,6a](C[6a,6a]C[6,6a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6,6a]C[6a])(Si[5]C[5,6a]CC){7|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]2){2|C<4>,2|H<1>,8|C<3>}	C[5,6a](C[6a,6a]C[6,6a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5]){1|H<1>,2|C<4>,7|C<3>}	121.5790	0.453	2	121.5790	0.205	2	121.5790	0.205	2	121.2491	2.689	44	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[5,6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]O[5]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]O)	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]O[5]HH){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2){2|O<2>,4|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]O){2|H<1>,3|C<3>}	123.1285	0.180	2	123.1285	0.033	2	123.1285	0.033	2	121.2491	2.689	44	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5,6a]-3:B-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]B)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(BC[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]B)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])2(BC[6a]H){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|B<3>,1|C<3>,2|H<1>,3|C<4>}	120.7025	0.163	4	120.7025	0.027	4	120.7508	0.032	5	121.0690	1.091	107	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5,6a]-3:B-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]B)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(BFF)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]B)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])2(BFF){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|B<3>,1|C<3>,2|H<1>,3|C<4>}	120.9440	0.000	1	120.9440	0.000	1	120.7508	0.032	5	121.0690	1.091	107	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])2(CNO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(C[5]C[5]HH){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])2(CNO){1|C<3>,4|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(C[5]C[5]HH){1|C<4>,2|H<1>,4|C<3>}	121.1509	0.488	10	121.1509	0.238	10	121.1509	0.238	10	121.0690	1.091	107	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5,6a]-3:Ge-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Ge)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(GeBrGe)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Ge)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])2(GeBrGe){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|Ge<3>,1|C<3>,2|H<1>,3|C<4>}	120.2130	0.246	2	120.2130	0.061	2	120.0173	0.258	6	121.0690	1.091	107	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5,6a]-3:Ge-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Ge)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(GeC[6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Ge)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])2(GeC[6a]O){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|Ge<3>,1|C<3>,2|H<1>,3|C<4>}	119.9195	0.610	4	119.9195	0.372	4	120.0173	0.258	6	121.0690	1.091	107	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5,6a]-3:O-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(OLi2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])2(OLi2){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|C<3>,1|O<3>,2|H<1>,3|C<4>}	120.9980	0.222	2	120.9980	0.049	2	120.9980	0.049	2	121.0690	1.091	107	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5,6a]-3:P-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]P)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(PIrC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]P)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])2(PIrC){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|C<3>,1|P<3>,2|H<1>,3|C<4>}	119.5485	0.593	2	119.5485	0.352	2	119.5485	0.352	2	121.0690	1.091	107	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5,6a]-3:Si-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Si)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(SiC[6a]P)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Si)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])2(SiC[6a]P){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|Si<3>,1|C<3>,2|H<1>,3|C<4>}	120.9340	0.088	2	120.9340	0.008	2	121.0380	0.359	24	121.0690	1.091	107	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5,6a]-3:Si-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Si)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(SiC[6a]Si)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Si)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])2(SiC[6a]Si){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|Si<3>,1|C<3>,2|H<1>,3|C<4>}	120.3715	0.251	2	120.3715	0.063	2	121.0380	0.359	24	121.0690	1.091	107	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5,6a]-3:Si-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Si)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(SiHW)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Si)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])2(SiHW){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|Si<3>,1|C<3>,2|H<1>,3|C<4>}	121.9955	0.049	4	121.9955	0.002	4	121.0380	0.359	24	121.0690	1.091	107	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5,6a]-3:Si-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Si)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(SiNW)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Si)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])2(SiNW){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|Si<3>,1|C<3>,2|H<1>,3|C<4>}	120.4680	0.606	4	120.4680	0.367	4	121.0380	0.359	24	121.0690	1.091	107	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5,6a]-3:Si-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Si)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(SiOW)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Si)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])2(SiOW){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|Si<3>,1|C<3>,2|H<1>,3|C<4>}	121.0372	0.331	12	121.0372	0.109	12	121.0380	0.359	24	121.0690	1.091	107	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:B-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]B)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(BOO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]B)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(BOO){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|B<3>,1|C<3>,1|C<4>,4|H<1>}	121.0830	0.000	1	121.0830	0.000	1	121.0830	0.000	1	121.0690	1.091	107	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(CHO)	C[5,6a](C[5,6a]C[5,6a]N[5])(C[5,6a]C[6a]C[5])(C[5]C[5]CH)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(CHO){1|C<3>,1|H<1>,4|C<4>}	C[5,6a](C[5,6a]C[5,6a]N[5])(C[5,6a]C[6a]C[5])(C[5]C[5]CH){3|C<3>,3|C<4>,3|H<1>}	121.6650	0.000	1	121.6650	0.000	1	121.6650	0.000	1	121.0690	1.091	107	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6,6a]H)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6,6a]2)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6,6a]H)(COO){1|C<3>,1|P<4>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6,6a]2)(C[5]C[5]HH){1|P<4>,4|C<3>,4|H<1>}	120.8390	0.000	1	120.8390	0.000	1	120.8390	0.000	1	121.0690	1.091	107	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CCO){1|C<3>,5|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,2|H<1>,3|C<4>}	119.1920	0.000	1	119.1920	0.000	1	120.7085	1.199	12	121.0690	1.091	107	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<3>,1|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	119.9215	0.347	2	119.9215	0.121	2	120.7085	1.199	12	121.0690	1.091	107	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(COO){2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<4>,2|C<3>,4|H<1>}	120.1640	0.240	2	120.1640	0.058	2	120.7085	1.199	12	121.0690	1.091	107	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(COO){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){3|C<3>,4|H<1>}	120.4670	0.011	2	120.4670	0.000	2	120.7085	1.199	12	121.0690	1.091	107	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCN){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,4|H<1>}	119.9240	0.000	1	119.9240	0.000	1	120.7085	1.199	12	121.0690	1.091	107	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]O)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]O)(COO){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH){1|C<4>,2|H<1>,4|C<3>}	121.6430	0.000	1	121.6430	0.000	1	120.7085	1.199	12	121.0690	1.091	107	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(CCC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(CCC){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH){1|C<4>,2|H<1>,4|C<3>}	121.9295	0.050	2	121.9295	0.003	2	120.7085	1.199	12	121.0690	1.091	107	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CCC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CCC){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH){3|H<1>,4|C<3>}	122.7790	0.000	1	122.7790	0.000	1	120.7085	1.199	12	121.0690	1.091	107	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]FF)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]C)(CCH)	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]FF)	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]FF){1|C<4>,2|C<3>,4|F<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]C)(CCH){1|C<3>,1|S<2>,2|C<4>,2|F<1>}	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]FF){1|H<1>,1|S<2>,3|C<3>,4|F<1>}	123.1100	0.346	2	123.4140	0.337	3	123.4140	0.337	3	121.0690	1.091	107	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]FF)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]C)(CCH)	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]FF)	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]FF){1|C<4>,2|C<3>,4|F<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]C)(CCH){2|C<3>,2|C<4>,2|F<1>}	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]FF){1|C<4>,1|S<2>,3|C<3>,4|F<1>}	124.0220	0.000	1	123.4140	0.337	3	123.4140	0.337	3	121.0690	1.091	107	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C[6a])(C[6a]C[5,6a]P)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH){1|C<4>,1|P<3>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C[6a])(C[6a]C[5,6a]P){1|O<2>,1|P<3>,2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]O[5]HH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	121.8370	0.655	2	122.0585	0.237	4	122.0585	0.237	4	121.0690	1.091	107	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C[6a])(C[6a]C[5,6a]P)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH){1|C<4>,1|P<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C[6a])(C[6a]C[5,6a]P){1|O<2>,1|P<4>,2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]O[5]HH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	122.2800	0.291	2	122.0585	0.237	4	122.0585	0.237	4	121.0690	1.091	107	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH){2|C<2>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]C){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|N<3>,2|C<3>,4|H<1>}	121.0070	0.000	1	121.0070	0.000	1	121.4725	0.314	13	121.0690	1.091	107	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]C){2|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|H<1>,5|C<3>}	121.2930	0.000	1	121.2930	0.000	1	121.4725	0.314	13	121.0690	1.091	107	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]N[6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6a])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<2>,1|N<2>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]N[6a]C){2|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6a])(C[5]C[5]HH){1|N<2>,3|C<3>,4|H<1>}	121.3320	0.000	1	121.3320	0.000	1	121.4725	0.314	13	121.0690	1.091	107	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HO){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	122.6320	0.000	1	122.6320	0.000	1	121.4725	0.314	13	121.0690	1.091	107	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]CC){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]CC){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	120.6975	0.609	2	120.6975	0.371	2	121.4725	0.314	13	121.0690	1.091	107	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]HH){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]HH){1|S<4>,2|H<1>,3|C<3>}	121.4300	0.000	1	121.4300	0.000	1	121.4725	0.314	13	121.0690	1.091	107	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]N[6a]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]C)(C[5]N[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]HH){1|C<4>,1|N<2>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]N[6a]N){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]C)(C[5]N[5]HH){1|S<4>,2|C<3>,2|H<1>}	121.8450	0.000	1	121.8450	0.000	1	121.4725	0.314	13	121.0690	1.091	107	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH){2|H<1>,3|C<3>}	121.5245	0.103	2	121.5245	0.011	2	121.4725	0.314	13	121.0690	1.091	107	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH){2|H<1>,3|C<3>}	121.9190	0.027	2	121.9190	0.001	2	121.4725	0.314	13	121.0690	1.091	107	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH){1|C<4>,2|C<3>,2|H<1>}	121.3220	0.000	1	121.3220	0.000	1	121.4725	0.314	13	121.0690	1.091	107	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]H)(C[6a]C[6a]2)	C[5,6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[6a]C[5])(C[5]O[5]CH)	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]H)(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[5,6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[6a]C[5])(C[5]O[5]CH){1|N<3>,2|H<1>,4|C<3>}	121.7900	0.000	1	121.7900	0.000	1	121.7900	0.000	1	121.0690	1.091	107	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]CH){1|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	120.2410	0.000	1	120.2410	0.000	1	118.7350	4.078	4	121.0690	1.091	107	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NOO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]HH){1|C<3>,1|O<2>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NOO){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|N<3>,5|H<1>}	116.9940	0.000	2	116.9940	0.000	2	118.7350	4.078	4	121.0690	1.091	107	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]HN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]HN){1|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NCH){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|N<3>,4|H<1>}	120.7110	0.000	1	120.7110	0.000	1	118.7350	4.078	4	121.0690	1.091	107	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(NHH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N)(C[5]C[5]HH){2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(NHH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	121.0550	0.000	1	121.0550	0.000	1	121.0550	0.000	1	121.0690	1.091	107	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:N[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6a])(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(N[6a]C[6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6a])(C[5]C[5]HH){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(N[6a]C[6a]C){1|Cl<1>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	120.3820	0.303	2	120.3820	0.092	2	120.3820	0.092	2	121.0690	1.091	107	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:P-3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]P)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C[6a])(PC[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]P)(C[5]O[5]HH){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C[6a])(PC[6a]2){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]O[5]HH){1|C<3>,1|C<4>,1|O<2>,1|P<3>,4|H<1>}	121.5855	0.496	2	121.5855	0.246	2	121.5855	0.246	2	121.0690	1.091	107	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]C)(C[5]O[5]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(CC[6a]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]C)(C[5]O[5]HH){2|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(CC[6a]N){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]HH){2|H<1>,3|C<3>}	121.4070	0.000	1	121.4070	0.000	1	121.4070	0.000	1	121.0690	1.091	107	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH){4|H<1>,5|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2){1|O<2>,2|C<4>,4|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){4|C<3>,5|H<1>}	121.8975	0.237	2	121.8975	0.056	2	121.8975	0.056	2	121.0690	1.091	107	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:4:	C[6a]-3:C[5,6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:C[5a]-3:	C[6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[6a]C[6a,6a]C[5a])(C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[5a]C[5a,6a]C[5a])	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	C[5,6a](C[6a]C[6a,6a]C[5a])(C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5]){4|H<1>,9|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[5a]C[5a,6a]C[5a]){1|N<3>,2|C<4>,2|H<1>,7|C<3>}	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){2|H<1>,7|C<3>}	120.9110	0.000	1	120.9110	0.000	1	120.9110	0.000	1	121.0690	1.091	107	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:4:	C[6a]-3:C[5,6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]Cl)(C[5]C[6a]2C[5])	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|Cl<1>,2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2){2|C<4>,5|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]Cl)(C[5]C[6a]2C[5]){4|H<1>,7|C<3>}	121.9880	0.000	1	121.9880	0.000	1	121.2128	0.442	6	121.0690	1.091	107	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:4:	C[6a]-3:C[5,6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]O[5]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]HH)	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]O[5]HH){3|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2){1|C<4>,1|O<2>,5|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]HH){2|H<1>,3|C<3>}	122.0790	0.000	1	122.0790	0.000	1	121.2128	0.442	6	121.0690	1.091	107	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:4:	C[6a]-3:C[5,6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]S[5]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]S[5]HH)	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]S[5]HH){2|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2){1|C<4>,1|S<4>,4|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]S[5]HH){2|H<1>,2|O<1>,3|C<3>}	120.6110	0.103	2	120.8025	0.062	4	121.2128	0.442	6	121.0690	1.091	107	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:4:	C[6a]-3:C[5,6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]S[5]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]S[5]HH)	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]S[5]HH){2|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2){1|C<4>,1|S<4>,5|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]S[5]HH){2|H<1>,2|O<1>,3|C<3>}	120.9940	0.167	2	120.8025	0.062	4	121.2128	0.442	6	121.0690	1.091	107	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:4:	C[6a]-3:C[5,6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)	C[5,6a](C[6a]C[6a,6a]C[5a])(C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){2|H<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2){2|C<4>,5|C<3>,5|H<1>}	C[5,6a](C[6a]C[6a,6a]C[5a])(C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5]){4|H<1>,9|C<3>}	122.5190	0.000	1	122.5190	0.000	1	122.7307	0.064	3	121.0690	1.091	107	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:4:	C[6a]-3:C[5,6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]O[5]FF)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]O[5]FF)	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]O[5]FF){2|F<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2){1|C<4>,1|O<2>,2|F<1>,3|H<1>,5|C<3>}	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]O[5]FF){2|F<1>,5|C<3>}	122.8365	0.245	2	122.8365	0.060	2	122.7307	0.064	3	121.0690	1.091	107	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:4:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HH)(N[6a]C[6a])	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HN){1|C<3>,1|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(COO){1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HH)(N[6a]C[6a]){1|N<3>,2|C<3>,4|H<1>}	120.4390	0.120	2	120.4390	0.014	2	120.4390	0.014	2	119.8743	0.964	3	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:3:	3:4:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HH)(N[6a]C[6a])	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<2>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HH)(N[6a]C[6a]){1|N<3>,2|C<3>,4|H<1>}	118.7450	0.000	1	118.7450	0.000	1	118.7450	0.000	1	119.8743	0.964	3	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHH){1|N<2>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	120.3470	0.000	1	120.3470	0.000	1	120.3470	0.000	1	120.6988	0.239	5	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CC){1|C<3>,1|O<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CH3){1|C<4>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5]){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	121.0510	0.000	1	121.0510	0.000	1	121.0510	0.000	1	120.6988	0.239	5	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[3]-4:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]C[3])(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(C[3]C[3]2H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5])	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]C[3])(C[5]C[5]HH){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(C[3]C[3]2H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5]){1|C<4>,3|C<3>,5|H<1>}	121.3820	0.000	1	121.3820	0.000	1	121.3820	0.000	1	120.6988	0.239	5	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]C)(C[5]N[5,6a]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(CCHH)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]C)(C[5]N[5,6a]HH){4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(CCHH){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a]){1|C<4>,3|H<1>,4|C<3>}	120.3570	0.093	2	120.3570	0.009	2	120.3570	0.009	2	120.6988	0.239	5	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(C[5]C[5]SiH)	C[6a](C[5,6a]C[5,6a]C[5])2(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(C[5]C[5]SiH){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])2(CH3){1|Si<4>,1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(C[5]C[5]H){1|Si<4>,1|C<3>,1|H<1>,3|C<4>}	121.2220	0.000	1	121.2220	0.000	1	121.2220	0.000	1	121.5095	1.766	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(C[5]O[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C)(CH3)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]O[5]O)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(C[5]O[5]CC){1|C<3>,1|O<1>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C)(CH3){1|C<2>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]O[5]O){1|C<2>,1|C<3>,1|N<3>,2|H<1>,3|C<4>}	122.0650	0.000	1	122.0650	0.000	1	122.0650	0.000	1	121.5095	1.766	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]C){2|C<4>,3|C<3>,3|H<1>}	122.3760	0.000	1	122.3760	0.000	1	122.3760	0.000	1	121.5095	1.766	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]2H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]2H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]H){1|C<3>,2|H<1>,3|C<4>}	121.1155	0.165	2	121.1155	0.027	2	121.7756	1.209	35	121.5095	1.766	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]N){1|C<3>,3|C<4>,3|H<1>}	120.1865	0.071	2	120.9652	0.834	8	121.7756	1.209	35	121.5095	1.766	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]N){1|C<3>,2|C<4>,4|H<1>}	121.1480	0.785	3	120.9652	0.834	8	121.7756	1.209	35	121.5095	1.766	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<3>,1|N<3>,1|O<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]N){1|C<3>,2|C<4>,4|H<1>}	121.3017	1.214	3	120.9652	0.834	8	121.7756	1.209	35	121.5095	1.766	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CC3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]S)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,1|H<1>,1|O<2>,1|S<1>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CC3){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]S){1|C<3>,2|H<1>,4|C<4>}	119.4780	0.000	1	119.4780	0.000	1	121.7756	1.209	35	121.5095	1.766	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]2){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	121.9430	0.201	2	122.2276	0.053	8	121.7756	1.209	35	121.5095	1.766	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]2){2|C<3>,3|C<4>,4|H<1>}	122.3225	0.153	6	122.2276	0.053	8	121.7756	1.209	35	121.5095	1.766	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]P)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,1|C<4>,1|P<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]P){1|C<3>,1|C<4>,4|H<1>}	122.9420	0.000	1	122.9420	0.000	1	121.7756	1.209	35	121.5095	1.766	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,2|C<4>,3|H<1>}	120.5255	0.030	2	120.5255	0.001	2	121.7756	1.209	35	121.5095	1.766	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	121.5310	0.000	1	121.5310	0.000	1	121.7756	1.209	35	121.5095	1.766	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HS)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HS){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]C){1|C<3>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	120.7770	0.000	1	120.7770	0.000	1	121.7756	1.209	35	121.5095	1.766	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]CC){1|C<3>,1|O<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CH3){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O){1|C<3>,1|H<1>,3|C<4>}	122.4035	0.156	2	122.4035	0.024	2	121.7756	1.209	35	121.5095	1.766	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(CHHO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH){2|Br<1>,1|C<3>,1|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(CHHO){1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]O[5]O){1|C<4>,2|C<3>,2|H<1>}	121.6950	0.000	1	121.6950	0.000	1	121.7756	1.209	35	121.5095	1.766	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CHHO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH){1|C<3>,1|O<1>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CHHO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]O){1|C<3>,2|C<4>,2|H<1>}	121.9800	0.000	1	121.9800	0.000	1	121.7756	1.209	35	121.5095	1.766	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O){1|C<3>,2|C<4>,2|H<1>}	121.8895	0.736	2	121.8895	0.542	2	121.7756	1.209	35	121.5095	1.766	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH){1|C<3>,1|O<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CH3){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O){1|C<3>,2|C<4>,2|H<1>}	122.4640	0.000	1	123.1033	0.542	3	121.7756	1.209	35	121.5095	1.766	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH){1|C<3>,1|O<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CH3){1|O<2>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O){1|C<3>,1|C<4>,3|H<1>}	123.9080	0.000	1	123.1033	0.542	3	121.7756	1.209	35	121.5095	1.766	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH){1|C<3>,1|O<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CH3){2|C<3>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	122.9380	0.000	1	123.1033	0.542	3	121.7756	1.209	35	121.5095	1.766	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]C)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH){1|C<4>,1|N<3>,2|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]O)(CH3){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]C)(C[5]O[5]O){1|C<3>,2|C<4>,2|H<1>}	122.4010	0.000	1	122.4010	0.000	1	121.7756	1.209	35	121.5095	1.766	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HO){1|C<3>,1|O<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CH3){1|H<1>,2|C<3>,3|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	124.6210	0.000	1	124.6210	0.000	1	121.7756	1.209	35	121.5095	1.766	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CC){1|C<3>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHN){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	119.6020	0.000	1	119.6020	0.000	1	119.6525	1.430	4	121.5095	1.766	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCCO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCCO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	118.1830	0.000	1	118.1830	0.000	1	119.6525	1.430	4	121.5095	1.766	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CN){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHN){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	121.1100	0.000	1	121.1100	0.000	1	119.6525	1.430	4	121.5095	1.766	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CN){1|C<3>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHO){1|O<2>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	119.7150	0.000	1	119.7150	0.000	1	119.6525	1.430	4	121.5095	1.766	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]C[6a])(CCHH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]S)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]C[6a])(CCHH){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]S){1|C<4>,3|C<3>,5|H<1>}	121.3210	0.000	1	121.3210	0.000	1	121.3210	0.000	1	121.5095	1.766	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C[6])(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[6]C[6]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C[6])(C[5]C[5]CH){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[6]C[6]2H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,5|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.1055	0.158	2	119.1055	0.025	2	118.9753	0.307	4	121.5095	1.766	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C[6])(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[6]C[6]2O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C[6])(C[5]C[5]CH){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[6]C[6]2O){1|N<3>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.4890	0.000	1	119.4890	0.000	1	118.9753	0.307	4	121.5095	1.766	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C[6])(C[5]C[5]CO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[6]C[6]2N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C[6])(C[5]C[5]CO){1|N<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[6]C[6]2N){1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	118.2010	0.000	1	118.2010	0.000	1	118.9753	0.307	4	121.5095	1.766	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:Si-4:	C[5a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]Si)(C[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]O)(SiC3)	C[5,6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[6a]C[5])(C[5]N[5]O)	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]Si)(C[5]N[5]HH){1|O<1>,1|O<2>,1|S<4>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]O)(SiC3){2|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|Si<4>,1|N<3>,1|S<4>,2|H<1>,3|C<3>}	123.1630	0.000	1	123.1630	0.000	1	123.1630	0.000	1	121.5095	1.766	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:Si-4:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]Si)(C[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]O)(SiC3)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]Si)(C[5]N[5]HH){1|O<1>,1|O<2>,1|S<4>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]O)(SiC3){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|Si<4>,1|S<4>,3|C<3>,3|H<1>}	123.7890	0.000	1	123.7890	0.000	1	123.7890	0.000	1	121.5095	1.766	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5a,6a]-3:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C)(C[5]C[5,6a]HH)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]C[5])(CCHH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C)(C[5]C[5,6a]HH){1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]C[5])(CCHH){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5,6a]C[6a]C[5]){1|C<4>,3|H<1>,6|C<3>}	123.3390	0.000	1	123.3390	0.000	1	123.3390	0.000	1	121.5095	1.766	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C)(C[5]C[5,6a]CH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(CH3)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C)(C[5]C[5,6a]CH){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(CH3){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){2|C<4>,2|H<1>,4|C<3>}	121.6270	0.000	1	121.6270	0.000	1	121.6270	0.000	1	121.5095	1.766	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C)(C[5]C[5,6a]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(CC3)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C)(C[5]C[5,6a]HH){5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(CC3){3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5]){1|C<4>,2|H<1>,7|C<3>}	121.1950	0.000	1	121.7670	0.220	6	121.7670	0.220	6	121.5095	1.766	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C)(C[5]C[5,6a]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(CC3)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C)(C[5]C[5,6a]HH){5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(CC3){3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5]){1|C<4>,3|H<1>,6|C<3>}	121.8814	0.420	5	121.7670	0.220	6	121.7670	0.220	6	121.5095	1.766	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(P[5]N[5]OO)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(P[5]N[5]OO){1|C<3>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CH3){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	121.4500	0.392	2	121.4500	0.153	2	121.4500	0.153	2	121.5095	1.766	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5,6a]-3:B[3]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]B[3])(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(B[3]B[3]H[3]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]B[3])(C[5]C[5]CC){1|B<4>,1|C<3>,1|H<2>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])2(B[3]B[3]H[3]H){1|H<1>,2|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|B<4>,1|C<3>,2|H<1>,3|C<4>}	122.2215	0.101	4	121.7587	0.521	6	121.7587	0.521	6	121.4683	1.113	70	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5,6a]-3:B[3]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]B[3])(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(B[3]B[3]H[3]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]B[3])(C[5]C[5]CC){1|B<5>,1|C<3>,1|H<2>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])2(B[3]B[3]H[3]H){2|C<3>,2|H<1>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|B<4>,1|C<3>,2|H<1>,3|C<4>}	120.8330	0.054	2	121.7587	0.521	6	121.7587	0.521	6	121.4683	1.113	70	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5,6a]-3:Ge-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Ge)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(GeC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Ge)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])2(GeC[6a]OO){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|Ge<4>,1|C<3>,2|H<1>,3|C<4>}	119.8937	0.291	4	119.8937	0.085	4	119.8937	0.085	4	121.4683	1.113	70	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5,6a]-3:Si-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Si)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(SiC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Si)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])2(SiC[6a]HH){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|Si<4>,1|C<3>,2|H<1>,3|C<4>}	120.5680	0.144	2	120.5680	0.021	2	120.5680	0.021	2	121.4683	1.113	70	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a,6a]-3:Si-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]Si)(C[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a,6a]2)(SiC3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]Si)(C[5]N[5]HH){1|S<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a,6a]2)(SiC3){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]HH){1|Si<4>,1|S<4>,2|C<3>,2|H<1>}	123.4290	0.000	1	123.4290	0.000	1	123.4290	0.000	1	121.4683	1.113	70	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(C[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C)(CH3)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]N[5]HH)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(C[5]N[5]HH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C)(CH3){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]N[5]HH){1|C<3>,1|O<1>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	122.0940	0.000	1	122.0940	0.000	1	122.0910	0.028	3	121.4683	1.113	70	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(C[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C[6a])(CH3)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]N[5]HH)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(C[5]N[5]HH){1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C[6a])(CH3){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]N[5]HH){1|C<3>,1|O<1>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	122.0895	0.238	2	122.0895	0.057	2	122.0910	0.028	3	121.4683	1.113	70	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|Br<1>,1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CCHH){1|C<3>,1|H<1>,4|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|Br<1>,1|C<3>,2|H<1>,3|C<4>}	120.6190	1.585	2	120.6190	2.513	2	121.4520	0.768	34	121.4683	1.113	70	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(CH3){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	121.8625	0.032	2	121.8625	0.001	2	121.4520	0.768	34	121.4683	1.113	70	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3){1|C<3>,1|P<4>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<4>,1|P<4>,2|H<1>,3|C<3>}	121.2760	0.000	1	121.2760	0.000	1	121.4520	0.768	34	121.4683	1.113	70	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<3>,2|H<1>,4|C<4>}	121.4170	0.016	2	121.4170	0.000	2	121.4520	0.768	34	121.4683	1.113	70	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CC3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CC3){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HN){1|C<3>,2|C<4>,4|H<1>}	120.3280	0.000	1	120.3280	0.000	1	121.4520	0.768	34	121.4683	1.113	70	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CC[6]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CC[6]HH){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,5|H<1>}	121.0130	0.000	1	121.0130	0.000	1	121.4520	0.768	34	121.4683	1.113	70	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6])(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6])(CH3){2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<4>,2|H<1>,4|C<3>}	121.5730	0.556	2	121.5730	0.309	2	121.4520	0.768	34	121.4683	1.113	70	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6a])(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6a])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6a])(CH3){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6a])(C[5]C[5]HH){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	121.6650	0.000	1	121.6435	0.001	2	121.4520	0.768	34	121.4683	1.113	70	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6a])(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6a])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6a])(CH3){2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6a])(C[5]C[5]HH){1|C<4>,2|H<1>,5|C<3>}	121.6220	0.000	1	121.6435	0.001	2	121.4520	0.768	34	121.4683	1.113	70	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]P)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<4>,1|P<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]P)(CH3){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<4>,2|H<1>,4|C<3>}	122.5540	0.000	1	122.5540	0.000	1	121.4520	0.768	34	121.4683	1.113	70	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]C)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]C)(CH3){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH){1|C<4>,2|H<1>,3|C<3>}	120.8090	0.000	1	120.8090	0.000	1	121.4520	0.768	34	121.4683	1.113	70	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]N[6])(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]Br)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|Br<1>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]N[6])(CH3){1|C<3>,2|H<1>,4|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]Br)(C[5]C[5]HH){1|C<4>,2|H<1>,3|C<3>}	121.8740	0.000	1	121.8740	0.000	1	121.4520	0.768	34	121.4683	1.113	70	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]O)(CH3){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH){1|C<4>,2|H<1>,4|C<3>}	122.4935	0.745	2	122.4935	0.554	2	121.4520	0.768	34	121.4683	1.113	70	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HP)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CC3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HP){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CC3){1|C<3>,1|H<1>,1|P<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|P<3>,2|C<4>,3|H<1>}	119.0500	0.000	1	119.0500	0.000	1	121.4520	0.768	34	121.4683	1.113	70	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]HH){1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(CH3){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]HH){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	122.2670	0.000	1	122.2670	0.000	1	121.4520	0.768	34	121.4683	1.113	70	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]HH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]HH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	121.9070	0.276	2	121.9070	0.076	2	121.4520	0.768	34	121.4683	1.113	70	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]HH){1|C<3>,1|C<4>,1|N<3>,1|S<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(CH3){1|Si<4>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]HH){1|Si<4>,1|C<3>,1|C<4>,1|S<4>,2|H<1>}	122.3185	0.387	2	122.3185	0.150	2	121.4520	0.768	34	121.4683	1.113	70	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Si)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]HH){1|Si<4>,1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Si)(CH3){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]HH){1|C<3>,1|C<4>,1|N<3>,1|S<4>,2|H<1>}	121.4750	0.919	2	121.4750	0.845	2	121.4520	0.768	34	121.4683	1.113	70	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH){1|C<4>,2|H<1>,4|C<3>}	122.4970	0.253	2	122.4970	0.064	2	121.4520	0.768	34	121.4683	1.113	70	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]S[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]S[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]S[5]HH){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHH){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]S[5]HH){1|C<3>,1|C<4>,3|H<1>}	120.7643	0.183	6	120.7643	0.033	6	121.4520	0.768	34	121.4683	1.113	70	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:N[6a]-3:C[5]-4:	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a]C)(C[5]C[5]HH)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,1|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	119.6450	0.000	1	119.6450	0.000	1	119.6450	0.000	1	121.4683	1.113	70	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]H)(CH3)	C[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]CH)	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]H)(CH3){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]CH){1|C<4>,3|C<3>,5|H<1>}	122.5990	0.000	1	122.5990	0.000	1	122.5990	0.000	1	121.4683	1.113	70	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-4:	N[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(CH3)	C[5,6a](N[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	C[5,6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(CH3){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](N[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	122.5660	0.000	1	122.5660	0.000	1	122.5660	0.000	1	121.4683	1.113	70	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-4:	N[5a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]N[5a,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]H)(CH3)	C[5,6a](N[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]HO)	C[5,6a](C[5,6a]N[5a,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,1|N<2>,1|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]H)(CH3){1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](N[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]HO){1|C<3>,1|C<4>,2|N<2>,4|H<1>}	122.1720	0.000	1	122.1720	0.000	1	122.1720	0.000	1	121.4683	1.113	70	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:P-4:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]P)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C[6a])(PC[6a]2O)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]P)(C[5]O[5]HH){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C[6a])(PC[6a]2O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]O[5]HH){1|C<3>,1|C<4>,1|O<2>,1|P<4>,4|H<1>}	122.5365	0.018	2	122.5365	0.000	2	122.5365	0.000	2	121.4683	1.113	70	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:P-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]P)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(PC[6a]2Ir)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]P)(C[5]O[5]HH){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(PC[6a]2Ir){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,1|P<4>,3|H<1>}	120.9380	0.000	1	120.9380	0.000	1	120.9380	0.000	1	121.4683	1.113	70	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:N[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]2)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]2)(CH3){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	120.1620	0.120	2	120.1620	0.014	2	120.1690	0.007	3	121.4683	1.113	70	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:N[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(CH3){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	120.1830	0.000	1	120.1830	0.000	1	120.1690	0.007	3	121.4683	1.113	70	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]C)(C[5]C[5]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]Cl)(C[5]C[6a]2C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]C)(C[5]C[5]HH){1|Cl<1>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(CH3){2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]Cl)(C[5]C[6a]2C[5]){1|C<4>,4|H<1>,6|C<3>}	122.4670	0.000	1	122.4670	0.000	1	122.4670	0.000	1	121.4683	1.113	70	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:Si-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]Si)(C[5]N[5]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(SiC3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]Si)(C[5]N[5]HH){1|S<4>,2|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(SiC3){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]HH){1|Si<4>,1|S<4>,2|C<3>,2|H<1>}	122.9323	0.224	3	122.9323	0.050	3	122.9323	0.050	3	121.4683	1.113	70	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[5,6a]-3:S-4:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]S)(S[5]O[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])2(SO3)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]S)(S[5]O[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]S)(S[5]O[5]OO){1|C<3>,2|O<1>,2|S<4>}	C[6a](C[5,6a]C[5,6a]S[5])2(SO3){1|C<3>,2|O<2>,2|S<4>,4|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]S)(S[5]O[5]OO){1|C<3>,2|O<1>,2|S<4>}	122.1132	0.413	4	122.1132	0.170	4	122.1132	0.170	4	121.4683	1.113	70	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5,6a]-3:Ge[4]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[6a]C[5,6a]Ge[4])(C[5,6a]C[6a]C[5])(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(Ge[4]C[6a]O[4]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[5,6a](C[6a]C[5,6a]Ge[4])(C[5,6a]C[6a]C[5])(C[5]C[5]CC){2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])2(Ge[4]C[6a]O[4]2){4|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|Ge<4>,1|C<3>,2|H<1>,3|C<4>}	119.6150	0.959	2	119.6150	0.919	2	119.6150	0.919	2	121.4683	1.113	70	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:4:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HH)(N[6a]C[6a])	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){2|C<4>,2|H<1>,2|N<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HH)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	119.3580	0.000	1	119.3580	0.000	1	119.3380	0.122	13	119.3380	0.122	13	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:4:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HO)(N[6a]C[6a])	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,1|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){2|C<4>,2|H<1>,2|N<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HO)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	119.3363	0.365	12	119.3363	0.134	12	119.3380	0.122	13	119.3380	0.122	13	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,4|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C){1|Br<1>,2|H<1>,3|C<3>,3|C<4>}	120.6340	0.000	1	120.7060	0.010	2	121.2990	1.060	3	120.9048	1.328	4	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,4|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C){3|C<3>,3|C<4>,3|H<1>}	120.7780	0.000	1	120.7060	0.010	2	121.2990	1.060	3	120.9048	1.328	4	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HP)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]RuC)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HP){1|Ru<5>,1|Ru<7>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|P<4>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]RuC)(C[6a]C[6a]C){1|Ru<5>,1|C<3>,1|C<4>,1|P<4>,2|H<1>}	122.4850	0.000	1	122.4850	0.000	1	121.2990	1.060	3	120.9048	1.328	4	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:Si[5]-4:	C[5,6a]-3:C[6a]-3:Si-4:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]Si)(Si[5]O[5]CC)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(SiCCO)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]Si)(Si[5]O[5]CC){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(SiCCO){1|Si<4>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|H<1>,2|C<4>}	119.7220	0.000	1	119.7220	0.000	1	119.7220	0.000	1	120.9048	1.328	4	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:4:	3:5:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-5:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]Ru3)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|Ru<5>,3|Ru<6>,1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,2|C<5>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]Ru3)(C[6a]C[6a]C){1|Ru<6>,1|C<3>,1|C<4>,3|H<1>}	124.0400	0.000	1	124.0400	0.000	1	124.0400	0.000	1	124.0400	0.000	1	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:5:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5,6a]-3:B[3]-5:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]B[3])(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(B[3]B[3]H[3]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]B[3])(C[5]C[5]CC){1|B<4>,1|C<3>,1|H<2>,3|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])2(B[3]B[3]H[3]HH){1|H<1>,2|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|B<5>,1|C<3>,2|H<1>,3|C<4>}	120.8530	0.154	2	120.8530	0.024	2	120.8530	0.024	2	120.8530	0.024	2	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:4:3:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[3]-4:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]C[3])(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[3]C[3,6,6]2H)(C[6a]C[6a,6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5])	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]C[3])(C[5]C[5]HH){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[3]C[3,6,6]2H)(C[6a]C[6a,6a]H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5]){1|C<4>,3|C<3>,5|H<1>}	121.2380	0.000	1	121.2380	0.000	1	121.2380	0.000	1	121.2380	0.000	1	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:4:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6]C[6a])(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6]C[5,6]2C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6]C[6a])(C[5]C[5]CH){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6]C[5,6]2C)(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.0440	0.000	1	120.0440	0.000	1	120.0440	0.000	1	120.0440	0.000	1	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	4:3:3:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6]C[6a])(C[5]C[5]HH)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6]C[6a])(C[5]C[5]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,5|H<1>}	121.4950	0.000	1	121.4950	0.000	1	121.4950	0.000	1	121.4950	0.000	1	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	4:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6]C[6a])(C[5]C[5]CH)	C[6a](C[5,6]C[5,5,6]C[5,6]C)(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6]C[6a])(C[5]C[5]CH){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[6a](C[5,6]C[5,5,6]C[5,6]C)(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>,4|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.8725	0.059	2	119.7653	0.036	3	119.7653	0.036	3	119.7653	0.036	3	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	4:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6]C[6a])(C[5]C[5]CH)	C[6a](C[5,6]C[5,5,6]C[5,6]C)(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6]C[6a])(C[5]C[5]CH){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6]C[5,5,6]C[5,6]C)(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.5510	0.000	1	119.7653	0.036	3	119.7653	0.036	3	119.7653	0.036	3	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:4:	5:3:3:	3:3:4:	C[6a]-3:C[5,6a]-3:C[5]-4:	B[3,3]-5:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[6a]C[5,6a]B[3,3])(C[5,6a]C[6a]C[5])(C[5]C[5]CC)	C[6a](B[3,3]B[3,3]H[3]2H)(C[5,6a]C[5,6a]C[5])2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[5,6a](C[6a]C[5,6a]B[3,3])(C[5,6a]C[6a]C[5])(C[5]C[5]CC){1|B<5>,1|C<3>,2|H<2>,3|C<4>,4|H<1>}	C[6a](B[3,3]B[3,3]H[3]2H)(C[5,6a]C[5,6a]C[5])2{1|H<1>,2|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|B<5>,1|C<3>,2|H<1>,3|C<4>}	121.0522	0.420	12	121.0522	0.176	12	121.0522	0.176	12	121.0522	0.176	12	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:5:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:I[5]-5:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]O3)	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]O3){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,4|O<2>}	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,2|H<1>,3|O<2>}	124.7190	0.000	1	124.7190	0.000	1	124.7190	0.000	1	124.7190	0.000	1	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:3:5:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:I[5]-5:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]F3)	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]F3){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,3|F<1>}	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,2|H<1>,3|F<1>}	124.3280	0.000	1	124.3280	0.000	1	124.3280	0.000	1	124.3280	0.000	1	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:2:1:	3:3:2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:O[6a]-2:O-1:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5,5]C[5]2N[5])(C[6a]O[6a]O)	C[6a](C[5,6a]C[5,6a]C[5,5])(O[6a]C[6a,6a])(O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,5]C[6a])(O[5]C[5])	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5,5]C[5]2N[5])(C[6a]O[6a]O){1|O<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(O[6a]C[6a,6a])(O){1|N<3>,1|O<2>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,5]C[6a])(O[5]C[5]){1|H<1>,1|N<3>,1|O<2>,2|O<1>,3|C<3>}	120.9920	0.000	1	120.9920	0.000	1	120.9920	0.000	1	120.6787	2.581	15	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:2:1:	3:3:2:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5,6]C[5,6]O[6]H)(C[6a]N[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(N[6a]C[6a,6a])(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6]C[6a])(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5,6]C[5,6]O[6]H)(C[6a]N[6a]H){1|Br<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(N[6a]C[6a,6a])(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6]C[6a])(O[5]C[5,6]){1|Br<1>,1|N<2>,1|O<2>,3|C<3>,3|H<1>}	118.8970	0.000	1	118.8970	0.000	1	118.8970	0.000	1	120.6787	2.581	15	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:2:1:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:N[6a]-2:H-1:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C[6a]H)(C[6a]N[6a]H){5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H){1|N<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|N<2>,3|C<3>,4|H<1>}	117.1440	0.375	2	117.1440	0.140	2	117.1440	0.140	2	120.6787	2.581	15	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:2:1:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:O[6a]-2:O-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]O[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]O[6a]O){2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a])(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5,6]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	120.9230	0.000	1	120.9230	0.000	1	121.0265	0.021	2	120.6787	2.581	15	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:2:1:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:O[6a]-2:O-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HO)(C[6a]O[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HO)(C[6a]O[6a]O){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a])(O){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	121.1300	0.000	1	121.1300	0.000	1	121.0265	0.021	2	120.6787	2.581	15	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:2:1:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:O[6a]-2:O-1:	C[6a,6a]-3:C[5,6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[5]C[6a]C[5]O)(C[6a]O[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a,6a])(O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5])	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[5]C[6a]C[5]O)(C[6a]O[6a]O){5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a,6a])(O){1|N<2>,1|O<2>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]){1|H<1>,1|O<1>,2|O<2>,4|C<3>}	121.3590	0.000	1	121.3590	0.000	1	121.3590	0.000	1	120.6787	2.581	15	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:2:1:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:O[6a]-2:O-1:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[5,5]C[6a]H)(C[6a]O[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a,6a])(O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[5,5]C[6a]H)(C[6a]O[6a]O){6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a,6a])(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5,5]){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	121.7685	0.302	2	121.7685	0.091	2	121.5740	0.084	8	120.6787	2.581	15	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:2:1:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:O[6a]-2:O-1:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]O[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a,6a])(O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5])	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]O[6a]O){1|C<4>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a,6a])(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5]){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	120.9760	0.000	1	121.5092	0.080	6	121.5740	0.084	8	120.6787	2.581	15	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:2:1:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:O[6a]-2:O-1:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]O[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a,6a])(O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5])	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]O[6a]O){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a,6a])(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5]){1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	121.8120	0.000	1	121.5092	0.080	6	121.5740	0.084	8	120.6787	2.581	15	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:2:1:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:O[6a]-2:O-1:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]O[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a,6a])(O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5])	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]O[6a]O){1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a,6a])(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5]){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	121.5667	0.056	4	121.5092	0.080	6	121.5740	0.084	8	120.6787	2.581	15	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:2:1:	3:3:3:	C[5,6a]-3:As[5]-4:C[6a]-3:	C[5,6a]-3:N[6a]-2:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(As[5]C[5,6a]C[6a]O)(C[6a]N[6a]H)	C[6a](C[5,6a]C[5,6a]As[5])(N[6a]C[6a])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]As[5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(As[5]C[5,6a]C[6a]O)(C[6a]N[6a]H){1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]As[5])(N[6a]C[6a])(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]As[5]C[6a])(C[6a]C[6a]H){1|N<2>,1|O<1>,3|C<3>,3|H<1>}	118.9935	0.680	2	118.9935	0.462	2	118.9935	0.462	2	119.1547	2.885	11	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:2:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:N[6a]-2:F-1:	C[5,6a]-3:C[6a]-3:B[5]-3:	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[6a]O[5]H)(C[6a]N[6a]F)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(F)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]O[5]O)	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[6a]O[5]H)(C[6a]N[6a]F){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(F){1|B<3>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]O[5]O){1|C<3>,1|F<1>,1|N<2>,2|H<1>}	117.9050	0.000	1	117.9050	0.000	1	117.9050	0.000	1	119.1547	2.885	11	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:2:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:N[6a]-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]N[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]N[6a]H){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	119.4280	0.021	2	119.4280	0.000	2	119.4280	0.000	2	119.1547	2.885	11	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:2:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a]H)(C[6a]N[6a]H){6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(H){1|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5]){1|N<2>,4|H<1>,5|C<3>}	120.2290	0.000	1	120.2290	0.000	1	120.2290	0.000	1	119.1547	2.885	11	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:2:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:O[6a]-2:O-1:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]CC)(C[6a]O[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a,6a])(O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]CC)(C[6a]O[6a]O){4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a,6a])(O){6|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5]){1|O<1>,1|O<2>,2|H<1>,6|C<3>}	123.5220	0.000	1	123.5220	0.000	1	123.5220	0.000	1	119.1547	2.885	11	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:2:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:N[6a]-2:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]O)(C[6a]N[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(N[6a]C[6a])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]O)(C[6a]N[6a]H){1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(N[6a]C[6a])(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,3|C<3>,3|H<1>}	118.6635	0.117	2	118.6635	0.014	2	118.6635	0.014	2	119.1547	2.885	11	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:2:1:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:N[6a]-2:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]2)(C[6a]N[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(N[6a]C[6a])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]2)(C[6a]N[6a]H){1|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(N[6a]C[6a])(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	117.4380	0.075	2	117.4380	0.006	2	117.4380	0.006	2	119.1547	2.885	11	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:2:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:O[6a]-2:O-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5]C[6a]C[5]H)(C[6a]O[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a,6a])(O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5]C[6a]C[5]H)(C[6a]O[6a]O){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a,6a])(O){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	121.1825	0.235	2	121.1825	0.055	2	121.1825	0.055	2	121.1825	0.055	2	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:2:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:N[6a]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]N[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]N[6a]H){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H){1|C<3>,1|S<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|N<2>,1|S<2>,2|C<3>,3|H<1>}	118.9560	0.000	1	118.9560	0.000	1	118.9560	0.000	1	118.9560	0.000	1	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:2:1:	4:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:N[6a]-2:H-1:	C[5,6]-4:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]HH)(C[6a]N[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]HH)(C[6a]N[6a]H){1|C<3>,1|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H){1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<4>,6|H<1>}	116.1410	0.000	1	116.1410	0.000	1	116.1410	0.000	1	116.1410	0.000	1	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:2:3:	3:2:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:N[6a]-2:N-3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]N[6a]N)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(NHH)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]N[6a]N){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(NHH){1|C<4>,1|N<2>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	116.6180	0.000	1	116.6180	0.000	1	116.6180	0.000	1	116.6180	0.000	1	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:2:3:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5]C[6a]N[5]O)(C[6a]N[6a]N)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(NCH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5]C[6a]N[5]O)(C[6a]N[6a]N){1|C<4>,1|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(NCH){1|N<3>,1|O<2>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,3|C<3>}	119.8605	0.180	2	119.8605	0.033	2	119.8605	0.033	2	119.8605	0.033	2	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:2:4:	3:3:4:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:N[6a]-2:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]O[5]CC)(C[6a]N[6a]C)	C[6a](C[5,6a]C[5,6a]Si[5])(N[6a]C[6a])(CCHH)	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]O[5]CC)(C[6a]N[6a]C){1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]Si[5])(N[6a]C[6a])(CCHH){1|C<3>,1|O<2>,4|C<4>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|N<2>,4|C<4>}	117.4920	0.000	1	117.4920	0.000	1	117.4920	0.000	1	117.4920	0.000	1	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:2:4:	3:4:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[5,6]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[5,6]C[5,6]N[6]C)(C[6a]N[6a]C)	C[6a](C[5,6a]C[5,6a]C[5,6])(N[6a]C[6a,6a])(CH3)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6]C[6a])	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[5,6]C[5,6]N[6]C)(C[6a]N[6a]C){4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(N[6a]C[6a,6a])(CH3){1|N<3>,2|C<3>,3|C<4>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6]C[6a]){1|N<2>,1|N<3>,2|C<4>,3|H<1>,4|C<3>}	119.5600	0.000	1	119.5600	0.000	1	119.5600	0.000	1	119.5600	0.000	1	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:2:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:S[6a]-2:S[5]-2:	C[5,6a](C[5,6a]S[6a]S[5])(C[5]C[6a]C[5]H)(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(S[6a]C[6a,6a])(S[5]C[5])	C[5,6a](C[5,6a]S[6a]S[5])(C[5]C[6a]C[5]H)(C[6a]C[6a,6a]O){1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(O){2|H<1>,2|S<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(S[6a]C[6a,6a])(S[5]C[5]){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	123.7260	0.000	1	123.7260	0.000	1	123.7260	0.000	1	123.7260	0.000	1	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(N[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(N[5]N[5]){2|H<1>,4|C<3>}	117.7440	0.000	1	117.7440	0.000	1	117.7440	0.000	1	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[3,5]C[6a])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[3,5]C[6a])(N[6a]C[6a]){2|C<4>,2|H<1>,3|C<3>}	118.9515	0.391	2	118.9515	0.153	2	118.9515	0.153	2	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[4,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[4,5]C[4,5]2H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(O[5]C[4,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[4,5]C[4,5]2H)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(O[5]C[4,5]){2|C<3>,2|C<4>,3|H<1>}	119.4000	0.000	1	119.7390	0.230	2	119.7390	0.230	2	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[4,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[4,5]C[4,5]2H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(O[5]C[4,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[4,5]C[4,5]2H)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(O[5]C[4,5]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	120.0780	0.000	1	119.7390	0.230	2	119.7390	0.230	2	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,5]C[6a])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){1|H<1>,1|N<2>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,5]C[6a])(N[6a]C[6a]){2|H<1>,5|C<3>}	118.8325	0.655	4	118.8325	0.430	4	118.8325	0.430	4	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	119.4820	0.000	1	119.4820	0.000	1	120.0362	0.890	20	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	118.7380	0.035	2	118.7380	0.001	2	120.0362	0.890	20	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<2>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	121.0250	0.000	1	121.0250	0.000	1	120.0362	0.890	20	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.9210	0.000	2	120.9210	0.000	2	120.0362	0.890	20	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,2|H<1>,3|C<4>}	122.5410	0.000	1	122.5410	0.000	1	120.0362	0.890	20	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,3|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,2|H<1>,3|C<4>}	119.8850	0.291	2	119.8850	0.085	2	120.0362	0.890	20	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	120.1560	0.000	1	119.8717	0.399	11	120.0362	0.890	20	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,2|C<4>,3|H<1>}	119.9260	0.626	2	119.8717	0.399	11	120.0362	0.890	20	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	118.8700	0.000	1	119.8717	0.399	11	120.0362	0.890	20	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	120.3265	0.547	2	119.8717	0.399	11	120.0362	0.890	20	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){2|C<4>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,2|C<4>,3|H<1>}	120.8150	0.000	1	119.8717	0.399	11	120.0362	0.890	20	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,2|H<1>,3|C<4>}	119.2890	0.404	2	119.8717	0.399	11	120.0362	0.890	20	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){4|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<4>,2|C<3>,3|H<1>}	119.8325	0.244	2	119.8717	0.399	11	120.0362	0.890	20	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	118.5610	0.000	1	118.9580	0.363	3	118.9580	0.363	3	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.6510	0.000	1	118.9580	0.363	3	118.9580	0.363	3	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,4|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	118.6620	0.000	1	118.9580	0.363	3	118.9580	0.363	3	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[5,5]C[5,5]2H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5])	C[5,6a](C[5,6a]C[6a]S[5])(C[5,5]C[5,5]2H)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|S<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	119.5370	0.000	1	119.5370	0.000	1	119.5370	0.000	1	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,3|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,2|C<4>,3|H<1>}	119.8590	0.000	1	119.7590	0.020	2	119.7590	0.020	2	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){2|C<3>,2|C<4>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,2|C<4>,3|H<1>}	119.6590	0.000	1	119.7590	0.020	2	119.7590	0.020	2	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	118.6330	0.341	4	118.9298	0.976	6	118.9298	0.976	6	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.5235	1.865	2	118.9298	0.976	6	118.9298	0.976	6	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a,6a]O)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6]C[6a])(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a,6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6]C[6a])(O[5]C[5,6]){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	121.1640	0.000	1	121.1640	0.000	1	120.9950	0.057	2	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a,6a]Cl)(H)	C[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6]C[6a])(O[5]C[5])	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|N<2>,2|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a,6a]Cl)(H){1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6]C[6a])(O[5]C[5]){1|C<4>,3|H<1>,4|C<3>}	120.8260	0.000	1	120.8260	0.000	1	120.9950	0.057	2	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[5,6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	120.4320	0.000	1	120.4320	0.000	1	120.4320	0.000	1	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[3]C[5]H)(C[6a]C[6a]Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[3]C[5]H)(C[6a]C[6a]Cl){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,2|H<1>}	117.9190	0.000	1	117.9190	0.000	1	117.9190	0.000	1	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|Pd<4>,2|C<4>,2|H<1>,3|C<3>}	118.2190	0.000	1	118.2190	0.000	1	117.1487	0.916	3	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]PdH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]PdH)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|N<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){2|Pd<4>,3|C<3>,3|H<1>}	116.8520	0.000	1	116.8520	0.000	1	117.1487	0.916	3	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]RhC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]RhC)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Rh<4>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){2|Rh<4>,1|C<4>,2|H<1>,3|C<3>}	116.3750	0.000	1	116.3750	0.000	1	117.1487	0.916	3	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){2|C<4>,2|H<1>,3|C<3>}	118.6480	0.339	4	118.6480	0.115	4	118.3552	0.371	19	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	118.4060	0.033	2	118.4060	0.001	2	118.3552	0.371	19	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	117.4963	0.541	4	117.4963	0.292	4	118.3552	0.371	19	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){2|H<1>,5|C<3>}	117.9920	0.000	1	117.9920	0.000	1	118.3552	0.371	19	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	118.8202	0.369	6	118.8202	0.136	6	118.3552	0.371	19	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	118.1540	0.000	1	118.2235	0.010	2	118.3552	0.371	19	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){3|H<1>,4|C<3>}	118.2930	0.000	1	118.2235	0.010	2	118.3552	0.371	19	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]CoC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]CoC)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Co<9>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]){1|Co<9>,1|C<4>,2|H<1>,4|C<3>}	119.2660	0.000	1	119.2660	0.000	1	119.9244	1.187	5	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|O<1>,2|H<1>,3|C<3>}	119.7910	0.000	1	119.7910	0.000	1	119.9244	1.187	5	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	118.9300	0.000	1	118.9300	0.000	1	119.9244	1.187	5	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	119.8920	0.000	1	119.8920	0.000	1	119.9244	1.187	5	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	121.7430	0.000	1	121.7430	0.000	1	119.9244	1.187	5	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]BrH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]BrH)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.2190	0.000	1	120.2190	0.000	1	119.5012	0.440	65	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]BrH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]BrH)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.2335	0.118	2	120.2335	0.014	2	119.5012	0.440	65	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]BrH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]BrH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|Br<1>,1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|Br<1>,1|C<3>,1|C<4>,1|F<1>,1|N<3>,2|H<1>}	120.4890	0.000	1	120.4890	0.000	1	119.5012	0.440	65	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]BrH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]BrH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.7250	0.000	1	119.7250	0.000	1	119.5012	0.440	65	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]CH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	120.3780	0.000	1	120.3780	0.000	1	119.5012	0.440	65	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]CH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	119.4550	0.000	1	119.7590	0.094	5	119.5012	0.440	65	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]CH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,3|C<3>,3|H<1>}	119.8350	0.294	4	119.7590	0.094	5	119.5012	0.440	65	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|N<3>,3|C<3>,3|H<1>}	119.7380	0.102	2	119.7380	0.010	2	119.5012	0.440	65	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	119.5720	0.000	1	119.5720	0.000	1	119.5012	0.440	65	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5,5]){3|C<3>,4|H<1>}	119.8360	0.000	1	119.8360	0.000	1	119.5012	0.440	65	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,2|C<3>,4|H<1>}	119.7670	0.000	1	119.7670	0.000	1	119.5012	0.440	65	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,3|C<4>,3|H<1>}	118.7635	0.053	2	118.7635	0.003	2	119.5012	0.440	65	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]HN)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]HN)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	119.9860	0.000	1	119.9860	0.000	1	119.5012	0.440	65	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]HO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]HO)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	119.5710	0.000	1	119.5710	0.000	1	119.5012	0.440	65	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6]){3|C<3>,4|H<1>}	118.3770	0.000	1	118.3770	0.000	1	119.5012	0.440	65	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]S)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|S<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]S)(O[5]C[5,6]){3|C<3>,4|H<1>}	119.8250	0.000	1	119.8250	0.000	1	119.5012	0.440	65	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	118.8285	0.767	2	119.3834	0.520	5	119.5012	0.440	65	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<4>,2|C<3>,4|H<1>}	119.3110	0.000	1	119.3834	0.520	5	119.5012	0.440	65	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6]){1|N<3>,2|C<3>,4|H<1>}	119.9745	0.412	2	119.3834	0.520	5	119.5012	0.440	65	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	119.6870	0.150	2	119.6870	0.022	2	119.5012	0.440	65	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HO)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	119.9093	0.468	7	119.9093	0.219	7	119.5012	0.440	65	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.2580	0.085	3	120.2580	0.007	3	119.5012	0.440	65	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	118.5730	0.000	1	118.5730	0.000	1	119.5012	0.440	65	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]N[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]2N[5])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]N[5]){2|H<1>,4|C<3>}	120.0250	0.000	1	120.0250	0.000	1	119.5012	0.440	65	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	118.4885	0.045	2	118.4885	0.002	2	119.5012	0.440	65	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	118.9160	0.000	1	118.9160	0.000	1	119.5012	0.440	65	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	118.1820	0.013	2	118.1820	0.000	2	119.5012	0.440	65	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,3|C<3>,3|H<1>}	120.0800	0.000	1	118.8553	1.125	3	119.5012	0.440	65	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	118.2240	0.000	1	118.8553	1.125	3	119.5012	0.440	65	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	118.2620	0.000	1	118.8553	1.125	3	119.5012	0.440	65	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|Br<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){3|C<3>,4|H<1>}	119.8300	0.000	1	119.8300	0.000	1	119.5012	0.440	65	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,2|C<3>,3|H<1>}	119.1805	0.408	2	119.1805	0.166	2	119.5012	0.440	65	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	119.7830	0.000	1	119.2792	0.277	5	119.5012	0.440	65	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	118.4520	0.000	1	119.2792	0.277	5	119.5012	0.440	65	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,2|C<3>,3|H<1>}	119.1760	0.000	1	119.2792	0.277	5	119.5012	0.440	65	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){3|C<3>,4|H<1>}	119.4925	0.262	2	119.2792	0.277	5	119.5012	0.440	65	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){3|C<3>,4|H<1>}	118.4980	0.000	1	118.4980	0.000	1	119.5012	0.440	65	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	119.6285	0.510	4	119.6285	0.260	4	119.5012	0.440	65	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H){1|F<1>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	119.6800	0.000	1	119.6800	0.000	1	119.5012	0.440	65	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	118.9160	0.000	1	118.9160	0.000	1	119.5012	0.440	65	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]S)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]S)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	119.5190	0.000	1	119.5190	0.000	1	119.5012	0.440	65	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5,6]){1|N<3>,2|C<3>,4|H<1>}	120.6330	0.000	1	120.6330	0.000	1	120.1595	0.448	2	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]){1|S<4>,2|C<3>,3|H<1>}	119.6860	0.000	1	119.6860	0.000	1	120.1595	0.448	2	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[5a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]H)(H)	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[6a]C[5])(O[5]C[5])	C[5,6a](C[5,6a]C[5a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[6a]C[5])(O[5]C[5]){2|N<3>,3|C<3>,4|H<1>}	119.9620	0.000	1	119.9620	0.000	1	119.9620	0.000	1	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5])	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<2>,1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5]){1|C<2>,3|H<1>,5|C<3>}	120.0960	0.000	1	119.7150	0.109	3	119.7150	0.109	3	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5])	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5]){1|O<1>,3|H<1>,4|C<3>}	119.5240	0.000	1	119.7150	0.109	3	119.7150	0.109	3	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5])	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5]){3|H<1>,6|C<3>}	119.5250	0.000	1	119.7150	0.109	3	119.7150	0.109	3	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:N[6a]-3:O[5]-2:	C[5,6a](C[5,6a]N[6a]O[5])(C[5]C[5,6]CC)(C[6a]N[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a]C)(O[5]C[5,6])	C[5,6a](C[5,6a]N[6a]O[5])(C[5]C[5,6]CC)(C[6a]N[6a]O){2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(O){1|N<3>,1|O<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a]C)(O[5]C[5,6]){1|N<3>,2|C<3>,2|C<4>,2|O<1>}	118.9890	0.000	1	118.9890	0.000	1	118.9890	0.000	1	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]N[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a]C)(O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5])	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]N[6a]O){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a]C)(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5]){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	121.8420	0.000	1	121.8420	0.000	1	121.8420	0.000	1	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:N[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(N[5]C[5]CdH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(N[5]C[5]CdH)(C[6a]C[6a]H){2|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Cd<4>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]C[5]){1|Cd<4>,1|C<4>,2|C<3>,3|H<1>}	122.7720	0.000	1	122.7720	0.000	1	122.7720	0.000	1	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(P[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(P[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(N[6a]C[6a]){1|O<1>,3|H<1>,4|C<3>}	119.4190	0.000	1	119.4190	0.000	1	119.4190	0.000	1	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(P[5]C[5]RhC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(P[5]C[5]RhC)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|Rh<5>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(O[5]C[5]){1|Rh<5>,1|C<3>,2|C<4>,3|H<1>}	119.7790	0.171	2	119.7790	0.029	2	119.7790	0.029	2	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(P[5]C[6a]2C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(P[5]C[6a]2C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	120.7480	0.000	1	120.7480	0.000	1	120.7480	0.000	1	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(Si[5]C[5,5]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]C)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(Si[5]C[5,5]CC)(C[6a]C[6a]H){2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]C)(O[5]C[5,5]){2|C<4>,2|H<1>,3|C<3>}	118.8690	0.000	1	118.8690	0.000	1	118.8690	0.000	1	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:2:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(Si[5]C[5]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(Si[5]C[5]CC)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(S[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	118.0900	0.000	1	118.0900	0.000	1	118.0900	0.000	1	119.3956	1.000	152	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:As[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(As[5]C[5,6a]PdC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]As[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]As[5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(As[5]C[5,6a]PdC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]As[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]As[5]C[6a])(C[6a]C[6a]H){1|Pd<4>,1|C<4>,3|C<3>,3|H<1>}	120.9505	0.299	2	120.9505	0.089	2	120.9505	0.089	2	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5,5]C[5,6a]2N[5])(C[6a]C[6a]F)	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,5]C[6a])(C[6a]C[6a]F)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5,5]C[5,6a]2N[5])(C[6a]C[6a]F){1|B<4>,1|N<2>,2|F<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]F)(F){1|F<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,5]C[6a])(C[6a]C[6a]F){1|N<3>,3|F<1>,4|C<3>}	118.3077	0.423	4	118.3077	0.179	4	118.3077	0.179	4	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5,5]C[5,6a]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5,5]C[5,6a]2N[5])(C[6a]C[6a]H){2|H<1>,3|C<4>,5|C<3>}	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,5]C[6a])(C[6a]C[6a]H){1|N<4>,3|H<1>,4|C<3>}	117.7130	0.424	2	117.7130	0.180	2	117.9210	0.134	4	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5,5]C[5,6a]2P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5,5]C[5,6a]2P[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,5]C[6a])(C[6a]C[6a]H){1|P<4>,3|H<1>,4|C<3>}	118.1290	0.223	2	118.1290	0.050	2	117.9210	0.134	4	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5]N[5,5]C[6a]2)(C[6a]C[6a]F)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,5]N[5,5]N[5])(C[5,6a]C[6a]B[5])(C[6a]C[6a]F)	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5]N[5,5]C[6a]2)(C[6a]C[6a]F){1|N<3>,2|F<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(F){1|F<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,5]N[5,5]N[5])(C[5,6a]C[6a]B[5])(C[6a]C[6a]F){1|C<4>,2|F<1>,5|C<3>}	118.1210	0.000	1	118.1210	0.000	1	118.1210	0.000	1	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5]N[5,5]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,5]N[5,5]N[5])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5]N[5,5]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[5,6a](C[5,5]N[5,5]N[5])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	116.9730	0.452	4	116.9730	0.204	4	116.8092	0.287	5	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5]N[5,5]C[6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]S[5])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5]N[5,5]C[6a]2)(C[6a]C[6a]H){1|S<2>,2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,5]N[5,5]S[5])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	116.1540	0.000	1	116.1540	0.000	1	116.8092	0.287	5	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]C[5,6]C[6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]C[5,6]C[6a]2)(C[6a]C[6a]H){3|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	116.1310	0.000	1	116.1310	0.000	1	117.2690	1.342	20	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]C[5,6]N[6]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]C[5,6]N[6]C)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	117.3110	0.000	1	117.3110	0.000	1	117.2690	1.342	20	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	117.0400	0.000	1	117.0400	0.000	1	117.2690	1.342	20	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	118.4030	0.445	2	118.4030	0.198	2	117.2690	1.342	20	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]N[5a])(H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]N[5a])(H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	117.3690	0.000	1	117.3690	0.000	1	117.2690	1.342	20	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]C[6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	118.4730	0.000	1	118.4730	0.000	1	117.2690	1.342	20	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]C[6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]C[6a]2)(C[6a]C[6a]H){1|F<1>,1|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	118.6080	0.311	2	118.6080	0.097	2	117.2690	1.342	20	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]C[6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	116.6651	0.825	9	116.6651	0.680	9	117.2690	1.342	20	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]C[6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	115.6030	0.000	1	115.6030	0.000	1	117.2690	1.342	20	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]Cl2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]Cl2)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]C)(H){2|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){2|Cl<1>,1|N<3>,2|C<3>,3|H<1>}	119.4450	0.000	1	119.4450	0.000	1	117.2690	1.342	20	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]BrC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]BrC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,3|H<1>}	118.2795	0.045	2	118.2795	0.002	2	117.8769	0.292	30	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[5]Br)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[5]Br)(C[6a]C[6a]H){2|H<1>,2|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|Br<1>,3|H<1>,4|C<3>}	117.3350	0.013	2	117.3350	0.000	2	117.8769	0.292	30	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[5]H)(C[6a]C[6a]H){2|H<1>,2|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	117.2390	0.184	2	117.2390	0.034	2	117.8769	0.292	30	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[5]O)(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	117.9920	0.178	2	117.9920	0.032	2	117.8769	0.292	30	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	117.2305	0.379	4	117.2305	0.144	4	117.8769	0.292	30	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	117.6470	0.515	4	117.6470	0.265	4	117.8769	0.292	30	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]HP)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]HP)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|P<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|P<4>,3|C<3>,4|H<1>}	117.8835	0.394	2	117.8835	0.155	2	117.8769	0.292	30	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]N[6]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]N[6]C)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	118.1160	0.103	2	118.1160	0.011	2	117.8769	0.292	30	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]N[6]N)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]N[6]N)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	118.3106	0.390	10	118.3106	0.152	10	117.8769	0.292	30	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2C[5])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,6|C<3>}	118.5000	0.000	1	118.5000	0.000	1	117.4495	2.207	2	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[5]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[5]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	116.3990	0.000	1	116.3990	0.000	1	117.4495	2.207	2	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6]2N[5])(C[6a]C[6a]H){1|C<3>,5|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<3>,2|H<1>,3|C<4>}	116.3300	0.000	1	116.3300	0.000	1	116.7554	0.921	34	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2C[5])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]C[5]H){2|H<1>,4|C<3>}	117.2500	0.000	1	117.2500	0.000	1	116.7554	0.921	34	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<4>,2|H<1>,3|C<3>}	116.2700	0.143	2	116.5413	0.231	3	116.7554	0.921	34	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<4>,2|H<1>,3|C<3>}	117.0840	0.000	1	116.5413	0.231	3	116.7554	0.921	34	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<4>,2|H<1>,3|C<3>}	116.1474	0.605	7	116.8144	0.966	22	116.7554	0.921	34	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H){1|N<3>,2|H<1>,3|C<3>}	117.8730	0.383	3	116.8144	0.966	22	116.7554	0.921	34	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H){1|O<2>,2|H<1>,3|C<3>}	118.2130	0.000	1	116.8144	0.966	22	116.7554	0.921	34	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H){2|H<1>,4|C<3>}	116.8229	0.968	11	116.8144	0.966	22	116.7554	0.921	34	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2O[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]C){1|H<1>,1|N<3>,3|C<3>}	114.8890	0.000	1	114.8890	0.000	1	116.7554	0.921	34	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2O[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]H){2|H<1>,3|C<3>}	116.3765	0.098	2	116.0610	0.303	3	116.7554	0.921	34	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2O[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]H){1|H<1>,4|C<3>}	115.4300	0.000	1	116.0610	0.303	3	116.7554	0.921	34	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]N[5]Cl)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]N[5]Cl)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	117.8670	0.000	1	117.8470	0.001	2	116.7554	0.921	34	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]N[5]Cl)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]N[5]Cl)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Cl<1>,2|H<1>,3|C<3>}	117.8270	0.000	1	117.8470	0.001	2	116.7554	0.921	34	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]N[5]Cl2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]N[5]Cl2)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){2|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H){2|Cl<1>,2|C<3>,2|H<1>}	117.7960	0.000	1	117.7960	0.000	1	116.7554	0.921	34	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(B[5]C[5,5]C[6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(B[5]C[5,5]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](N[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	115.5095	0.449	2	115.5095	0.202	2	115.5095	0.202	2	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]Br)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]Br){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(Br){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]C){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	117.6670	0.000	1	117.6670	0.000	1	117.6670	0.000	1	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]Br)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]Br){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(Br){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	117.5370	0.000	1	117.5370	0.000	1	117.5370	0.000	1	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H){4|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]2)(H){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	120.3724	0.178	7	120.3724	0.032	7	120.3708	0.113	16	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H){1|Br<1>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]Br)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	120.4710	0.000	1	120.4710	0.000	1	120.3708	0.113	16	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	120.2843	0.689	4	120.3569	0.213	8	120.3708	0.113	16	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H){2|C<2>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	120.4295	0.093	4	120.3569	0.213	8	120.3708	0.113	16	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.4680	3.304	2	120.4680	10.914	2	119.7860	0.595	33	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.1432	0.280	4	120.1432	0.079	4	119.7860	0.595	33	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.8450	0.000	1	119.8450	0.000	1	119.7860	0.595	33	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|F<1>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.6490	0.000	1	119.6490	0.000	1	119.7860	0.595	33	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	119.5870	0.000	1	119.7371	0.297	17	119.7860	0.595	33	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.6457	0.190	4	119.7371	0.297	17	119.7860	0.595	33	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	119.1920	0.000	1	119.7371	0.297	17	119.7860	0.595	33	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.8335	0.468	4	119.7371	0.297	17	119.7860	0.595	33	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	118.6360	0.000	1	119.7371	0.297	17	119.7860	0.595	33	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.6690	0.000	1	119.7371	0.297	17	119.7860	0.595	33	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.9755	0.069	2	119.7371	0.297	17	119.7860	0.595	33	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.7115	0.156	2	119.7371	0.297	17	119.7860	0.595	33	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){2|Br<1>,1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.1560	0.000	1	119.7371	0.297	17	119.7860	0.595	33	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,7|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	119.4140	0.000	1	119.4127	0.053	3	119.7860	0.595	33	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,7|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.6430	0.000	1	119.4127	0.053	3	119.7860	0.595	33	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.1810	0.000	1	119.4127	0.053	3	119.7860	0.595	33	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.5835	0.305	2	119.7213	0.103	3	119.7860	0.595	33	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|O<1>,1|S<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.9970	0.000	1	119.7213	0.103	3	119.7860	0.595	33	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]I)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|I<1>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]I)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	118.9030	0.000	1	118.9030	0.000	1	119.7860	0.595	33	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.0990	0.000	1	120.0990	0.000	1	119.7860	0.595	33	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	120.0710	0.000	1	120.0710	0.000	1	120.0710	0.000	1	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[4,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[4,5]C[4,5]2Cl)(C[6a]C[6a]Cl)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]Cl)(C[5]C[4,5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[4,5]C[4,5]2Cl)(C[6a]C[6a]Cl){4|Cl<1>,1|C<4>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]Cl)(Cl){2|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]Cl)(C[5]C[4,5]O){4|Cl<1>,1|C<3>,2|C<4>}	120.3140	0.000	1	120.3140	0.000	1	120.3140	0.000	1	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[4,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[4,5]C[5,6a]C[4]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[4,5]C[5,6a]C[4]2)(C[6a]C[6a]H){1|C<2>,1|P<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	120.7760	0.426	2	120.6437	0.128	4	120.6437	0.128	4	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[4,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[4,5]C[5,6a]C[4]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[4,5]C[5,6a]C[4]2)(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	120.5115	0.363	2	120.6437	0.128	4	120.6437	0.128	4	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[4,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[4,5]C[4,5]2Cl)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[4,5]C[4,5]2Cl)(C[6a]C[6a]H){2|Cl<1>,1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]C)(H){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]O)(C[6a]C[6a]H){2|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	120.5950	0.000	1	120.5950	0.000	1	120.5270	0.009	2	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[4,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[4,5]C[4,5]2Cl)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[4,5]C[4,5]2Cl)(C[6a]C[6a]H){2|Cl<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]O)(C[6a]C[6a]H){2|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	120.4590	0.000	1	120.4590	0.000	1	120.5270	0.009	2	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[4,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[4,5]C[4]2C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[4,5]C[4]2C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.6620	0.000	1	120.6620	0.000	1	120.6620	0.000	1	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[4,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[4,5]C[4,5]2O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[4,5]C[4,5]2O)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	120.2360	0.169	3	120.5025	0.303	4	120.5025	0.303	4	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[4,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[4,5]C[4,5]2O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[4,5]C[4,5]2O)(C[6a]C[6a]H){2|H<1>,2|O<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C){1|C<3>,1|C<4>,2|H<1>,3|O<2>}	121.3020	0.000	1	120.5025	0.303	4	120.5025	0.303	4	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6,6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6,6a]C[6,6a]O[6])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6,6a]H){1|H<1>,1|O<2>,7|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6,6a]C[6,6a]O[6])(H){1|C<4>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6,6a]H){1|C<4>,2|H<1>,5|C<3>}	120.9390	0.000	1	120.9390	0.000	1	120.9390	0.000	1	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]Br)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]Br){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(Br){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	118.6790	0.000	1	118.6790	0.000	1	118.6790	0.000	1	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]Cl)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]Cl){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(Cl){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	119.0820	0.000	1	119.3055	0.100	2	119.3055	0.100	2	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]Cl)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]Cl){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(Cl){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	119.5290	0.000	1	119.3055	0.100	2	119.3055	0.100	2	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5,5]N[5,5a]N[5]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]N[5,5a]N[5a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5,5]N[5,5a]N[5]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|N<2>}	C[5,6a](C[5,5a]N[5,5a]N[5a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,2|N<2>,3|C<3>}	121.7860	0.000	1	121.7860	0.000	1	121.7860	0.000	1	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,5]C[5,5]C[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[5,6a]C[5])(C[5]C[5,5]O)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,5]C[5,5]C[5]C)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[5,6a]H)(H){3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[5,6a]C[5])(C[5]C[5,5]O){2|C<3>,4|C<4>,4|H<1>}	120.2710	0.000	1	120.2710	0.000	1	120.2710	0.000	1	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	120.9382	0.223	4	120.8883	0.078	12	121.1835	0.636	235	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	120.8587	0.358	6	120.8883	0.078	12	121.1835	0.636	235	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	120.8770	0.225	2	120.8883	0.078	12	121.1835	0.636	235	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	122.2155	0.142	2	121.6232	0.433	8	121.1835	0.636	235	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	120.6615	0.104	2	121.6232	0.433	8	121.1835	0.636	235	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2N[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	121.7580	0.263	2	121.6232	0.433	8	121.1835	0.636	235	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2N[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	121.8580	0.479	2	121.6232	0.433	8	121.1835	0.636	235	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[5a]C[6a])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){1|H<1>,8|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[5a]C[6a])(H){1|H<1>,1|S<2>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	121.0145	0.186	2	121.0145	0.035	2	121.1835	0.636	235	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){1|H<1>,8|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]2)(H){1|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	121.2613	0.751	39	121.2613	0.564	39	121.1835	0.636	235	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){1|Br<1>,1|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	121.4358	0.371	14	121.4358	0.137	14	121.1835	0.636	235	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){1|C<4>,1|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	121.0770	0.435	4	121.1666	0.182	5	121.1835	0.636	235	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){1|H<1>,8|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	121.5250	0.000	1	121.1666	0.182	5	121.1835	0.636	235	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){1|H<1>,8|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	122.0665	0.040	2	122.0665	0.002	2	121.1835	0.636	235	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|Br<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|Br<1>,2|H<1>,5|C<3>}	120.2300	0.826	2	120.8987	0.313	100	121.1835	0.636	235	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	121.5737	0.245	9	120.8987	0.313	100	121.1835	0.636	235	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	120.8644	0.515	87	120.8987	0.313	100	121.1835	0.636	235	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	120.0190	0.660	2	120.8987	0.313	100	121.1835	0.636	235	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	121.3940	0.000	1	121.3940	0.000	1	121.1835	0.636	235	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){1|H<1>,1|N<3>,7|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]N)(H){1|Br<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|Br<1>,2|H<1>,5|C<3>}	122.0780	0.496	4	121.5913	0.378	32	121.1835	0.636	235	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){1|H<1>,1|N<3>,7|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]N)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	121.5217	0.605	28	121.5913	0.378	32	121.1835	0.636	235	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){1|H<1>,1|O<2>,7|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|I<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|I<1>,2|H<1>,5|C<3>}	123.4742	2.678	4	123.0084	3.689	8	121.1835	0.636	235	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){1|H<1>,1|O<2>,7|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|N<3>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	122.5425	0.925	4	123.0084	3.689	8	121.1835	0.636	235	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]H){1|Br<1>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	120.6020	0.457	4	120.6020	0.209	4	121.1835	0.636	235	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	120.0940	0.755	2	120.4390	0.284	6	121.1835	0.636	235	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]H){1|O<1>,4|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	120.9350	0.253	2	120.4390	0.284	6	121.1835	0.636	235	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]H){2|C<4>,3|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	120.2880	0.089	2	120.4390	0.284	6	121.1835	0.636	235	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]2)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|O<2>,3|C<3>,3|H<1>}	120.9475	0.132	2	120.9475	0.017	2	121.1835	0.636	235	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	122.1140	0.000	1	122.1140	0.000	1	121.4375	0.210	4	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	121.3200	0.000	1	121.2120	0.009	3	121.4375	0.210	4	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<2>,4|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,4|C<3>}	121.1580	0.033	2	121.2120	0.009	3	121.4375	0.210	4	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|H<1>,3|C<3>}	121.6970	0.000	1	121.6970	0.000	1	121.1548	0.339	25	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]C){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	121.6610	0.000	1	121.6610	0.000	1	121.1548	0.339	25	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,2|H<1>,3|C<4>}	120.3860	0.000	1	120.5486	0.225	5	121.1548	0.339	25	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,2|H<1>,3|C<4>}	120.0300	0.000	1	120.5486	0.225	5	121.1548	0.339	25	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|C<3>,2|H<1>}	120.2420	0.000	1	120.5486	0.225	5	121.1548	0.339	25	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|O<1>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|C<3>,3|H<1>}	121.1500	0.000	1	120.5486	0.225	5	121.1548	0.339	25	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<3>,2|O<1>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|H<1>,3|C<3>}	120.9350	0.000	1	120.5486	0.225	5	121.1548	0.339	25	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|N<3>,2|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|Br<1>,1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|Br<1>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	122.5000	0.000	1	122.5000	0.000	1	121.1548	0.339	25	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]H){1|C<4>,2|H<1>,3|C<3>}	121.2590	0.000	1	121.2590	0.000	1	121.1548	0.339	25	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]C){1|C<4>,2|C<3>,3|H<1>}	120.9810	0.000	1	120.8450	0.037	2	121.1548	0.339	25	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]C){1|C<4>,2|H<1>,3|C<3>}	120.7090	0.000	1	120.8450	0.037	2	121.1548	0.339	25	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]H){2|C<3>,2|C<4>,2|H<1>}	120.8800	0.000	1	120.8800	0.000	1	121.1548	0.339	25	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]I)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<2>,2|H<1>,2|I<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]I){2|H<1>,4|C<3>}	121.4620	0.000	1	121.4620	0.000	1	121.1548	0.339	25	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]N[5]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]N[5]2)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.1850	0.000	1	121.3682	0.153	6	121.1548	0.339	25	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]N[5]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]N[5]2)(C[6a]C[6a]H){1|Br<1>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|Br<1>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	120.9910	0.000	1	121.3682	0.153	6	121.1548	0.339	25	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]N[5]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]N[5]2)(C[6a]C[6a]H){1|Br<1>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.7027	0.171	3	121.3682	0.153	6	121.1548	0.339	25	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]N[5]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]N[5]2)(C[6a]C[6a]H){1|O<1>,4|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.9250	0.000	1	121.3682	0.153	6	121.1548	0.339	25	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.4710	0.000	1	120.8890	0.092	4	121.1548	0.339	25	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.8830	0.000	1	120.8890	0.092	4	121.1548	0.339	25	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){1|O<2>,2|C<3>,2|H<1>}	121.1780	0.000	1	120.8890	0.092	4	121.1548	0.339	25	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H){2|Cl<1>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	121.0240	0.000	1	120.8890	0.092	4	121.1548	0.339	25	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,3|O<2>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,3|O<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)(C[5]O[5]O){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	122.1650	0.000	1	122.1650	0.000	1	121.1548	0.339	25	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]S[5]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]S[5]2)(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<1>,2|H<1>,2|S<2>}	121.0470	0.000	1	121.0470	0.000	1	121.1548	0.339	25	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5,5]2C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5,5]2C)(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	119.2740	0.000	1	119.2740	0.000	1	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5,5]2N)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5,5]2N)(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	120.7610	0.059	2	120.7610	0.004	2	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,1|N<2>,1|O<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	121.0500	0.000	1	120.9445	0.038	4	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,2|C<2>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	120.9195	0.315	2	120.9445	0.038	4	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	120.8890	0.000	1	120.9445	0.038	4	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	120.3610	0.000	1	120.3504	0.124	5	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	120.3477	0.407	4	120.3504	0.124	5	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	120.0350	0.000	1	120.4200	0.118	4	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	120.8680	0.000	1	120.4200	0.118	4	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	120.3885	0.046	2	120.4200	0.118	4	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	120.1040	0.000	1	120.1040	0.000	1	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	120.9270	0.000	1	120.9270	0.000	1	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,1|S<4>,2|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	121.3660	0.000	1	121.3660	0.000	1	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	119.7480	0.000	1	119.9974	0.366	67	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	119.5550	0.000	1	119.9974	0.366	67	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	119.7080	0.000	1	119.9974	0.366	67	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,1|S<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	120.7000	0.000	1	119.9974	0.366	67	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	119.9490	0.000	1	119.9974	0.366	67	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	119.8730	0.591	2	119.9974	0.366	67	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	119.5470	0.000	1	119.9974	0.366	67	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	120.1770	0.000	1	119.9974	0.366	67	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|S<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	119.6580	0.000	1	119.9974	0.366	67	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	119.7230	0.000	1	119.9974	0.366	67	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	120.4790	0.000	1	119.9974	0.366	67	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	121.0480	0.000	1	119.9974	0.366	67	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	120.5060	0.000	1	119.9974	0.366	67	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	119.9520	0.000	1	119.9974	0.366	67	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	120.0293	0.393	3	119.9974	0.366	67	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<2>,1|S<4>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	120.2545	0.660	4	119.9974	0.366	67	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	120.1550	0.380	2	119.9974	0.366	67	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	120.1650	0.366	2	119.9974	0.366	67	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	122.1340	0.000	1	119.9974	0.366	67	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	119.2930	0.000	1	119.9974	0.366	67	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,5|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	119.6730	0.404	2	119.9974	0.366	67	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	119.2230	0.000	1	119.9974	0.366	67	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	120.0873	0.499	10	119.9974	0.366	67	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	119.1120	0.000	1	119.9974	0.366	67	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	120.0385	0.308	2	119.9974	0.366	67	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	120.4955	0.811	2	119.9974	0.366	67	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	119.6546	0.676	7	119.9974	0.366	67	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	119.7150	0.149	3	119.9974	0.366	67	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	119.8430	0.738	6	119.9974	0.366	67	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	120.5260	0.747	2	119.9974	0.366	67	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	119.9000	0.425	3	119.9974	0.366	67	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<2>,1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	118.6840	0.000	1	119.5806	0.228	36	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	119.9390	0.245	2	119.5806	0.228	36	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	119.7435	0.545	2	119.5806	0.228	36	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	119.7235	0.230	4	119.5806	0.228	36	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	119.6917	0.205	3	119.5806	0.228	36	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	119.0950	0.000	1	119.5806	0.228	36	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	119.5932	0.303	4	119.5806	0.228	36	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	119.8211	0.489	8	119.5806	0.228	36	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	119.2451	0.434	10	119.5806	0.228	36	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	120.3970	0.000	1	119.5806	0.228	36	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|O<2>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	121.0910	0.000	1	121.0910	0.000	1	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	121.5240	0.000	1	121.5240	0.000	1	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	122.7380	0.000	1	122.7380	0.000	1	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,1|S<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	120.5390	0.000	1	120.5415	0.000	2	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	120.5440	0.000	1	120.5415	0.000	2	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	121.1150	0.000	1	120.8360	0.197	5	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.5860	0.000	1	120.8360	0.197	5	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.4280	0.000	1	120.8360	0.197	5	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	121.0255	0.640	2	120.8360	0.197	5	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	121.5780	0.000	1	121.0287	0.362	3	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.3860	0.000	1	121.0287	0.362	3	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	121.1220	0.000	1	121.0287	0.362	3	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|C<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.6900	0.169	3	120.6900	0.029	3	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<3>,1|F<1>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.2240	0.000	1	120.3080	0.014	2	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<3>,1|F<1>,1|O<1>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.3920	0.000	1	120.3080	0.014	2	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.5870	0.000	1	120.5870	0.000	1	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.1070	0.000	1	120.2839	0.234	44	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.2870	0.680	2	120.2839	0.234	44	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	120.4560	1.066	2	120.2839	0.234	44	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.7520	0.000	1	120.2839	0.234	44	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	121.1590	0.000	1	120.2839	0.234	44	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	120.4360	0.632	3	120.2839	0.234	44	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.4920	0.000	1	120.2839	0.234	44	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.3080	0.000	1	120.2839	0.234	44	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	120.0750	0.000	1	120.2839	0.234	44	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.0572	0.564	5	120.2839	0.234	44	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	120.4727	0.276	3	120.2839	0.234	44	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.4350	0.475	2	120.2839	0.234	44	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	119.0290	0.000	1	120.2839	0.234	44	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	119.7280	0.000	1	120.2839	0.234	44	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|F<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|F<1>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	120.0260	0.000	1	120.2839	0.234	44	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	120.6425	0.067	2	120.2839	0.234	44	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.0740	0.000	1	120.2839	0.234	44	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.6410	0.331	2	120.2839	0.234	44	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	120.0080	0.000	1	120.2839	0.234	44	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	119.9800	0.000	1	120.2839	0.234	44	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.2199	0.401	10	120.2839	0.234	44	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.6200	0.000	1	120.2839	0.234	44	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|C<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.9310	0.000	1	120.6670	0.094	4	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.2270	0.000	1	120.6670	0.094	4	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	120.7550	0.042	2	120.6670	0.094	4	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	119.8430	0.000	1	119.8430	0.000	1	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]I)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<3>,1|I<1>,1|O<1>,2|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]I)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	119.3345	0.077	2	120.8060	6.284	4	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]I)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<4>,1|I<1>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]I)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	122.2775	3.191	2	120.8060	6.284	4	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]S[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2S[5])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|O<1>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]S[5]C){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	118.6600	0.000	1	118.6600	0.000	1	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|C<2>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.8120	0.000	1	120.0753	0.174	6	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|N<2>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.5550	0.000	1	120.0753	0.174	6	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.2850	0.000	1	120.0753	0.174	6	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|N<2>,1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.4870	0.000	1	120.0753	0.174	6	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.6565	0.076	2	120.0753	0.174	6	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|C<2>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.1350	0.000	1	120.1590	0.001	2	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.1830	0.000	1	120.1590	0.001	2	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<2>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.8170	0.000	1	119.4652	0.132	5	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.5450	0.000	1	119.4652	0.132	5	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.0990	0.000	1	119.4652	0.132	5	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.4325	0.511	2	119.4652	0.132	5	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.7470	0.000	1	119.7470	0.000	1	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|C<2>,1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.6005	0.445	2	119.9940	0.457	14	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>,2|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.2185	1.152	2	119.9940	0.457	14	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<1>,2|N<3>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.0330	0.000	1	119.9940	0.457	14	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,1|S<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.6200	0.000	1	119.9940	0.457	14	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.8090	0.000	1	119.9940	0.457	14	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.7780	0.000	1	119.9940	0.457	14	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.8453	0.787	3	119.9940	0.457	14	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.8070	0.000	1	119.9940	0.457	14	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.3475	0.179	2	119.9940	0.457	14	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.6090	0.000	1	119.9282	0.053	5	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.0470	0.000	1	119.9282	0.053	5	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.0210	0.000	1	119.9282	0.053	5	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.1860	0.000	1	119.9282	0.053	5	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.7780	0.000	1	119.9282	0.053	5	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,1|O<1>,1|O<2>,2|C<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.1410	0.000	1	120.4937	0.288	7	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	121.2500	0.187	2	120.4937	0.288	7	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|F<1>,1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.3890	0.000	1	120.4937	0.288	7	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|F<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.1440	0.000	1	120.4937	0.288	7	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|F<1>,1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.2920	0.000	1	120.4937	0.288	7	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|F<1>,1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.9900	0.000	1	120.4937	0.288	7	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|C<2>,1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	121.7970	0.000	1	121.2000	0.713	2	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|O<1>,3|H<1>,5|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.6030	0.000	1	121.2000	0.713	2	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|C<2>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	118.1105	0.446	2	119.1418	2.639	4	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.1730	1.861	2	119.1418	2.639	4	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.2710	0.000	2	119.2710	0.000	2	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.7980	0.000	1	120.7980	0.000	1	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|N<2>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	120.7740	0.000	1	119.9321	0.435	89	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.4200	0.000	1	119.9321	0.435	89	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.0300	0.000	1	119.9321	0.435	89	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<2>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.4450	0.065	2	119.9321	0.435	89	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<2>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.7090	0.000	1	119.9321	0.435	89	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.2160	0.000	1	119.9321	0.435	89	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,2|O<1>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.6730	0.490	4	119.9321	0.435	89	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.0300	0.157	2	119.9321	0.435	89	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.9537	0.262	6	119.9321	0.435	89	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.2030	0.000	1	119.9321	0.435	89	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	121.0990	0.386	2	119.9321	0.435	89	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.8740	0.000	1	119.9321	0.435	89	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<2>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.3790	0.000	1	119.9321	0.435	89	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.0280	0.274	2	119.9321	0.435	89	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.7720	0.000	1	119.9321	0.435	89	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.4170	0.000	1	119.9321	0.435	89	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<2>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.9460	0.000	1	119.9321	0.435	89	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	120.5230	0.000	1	119.9321	0.435	89	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.2170	0.000	1	119.9321	0.435	89	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.5720	0.000	1	119.9321	0.435	89	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.1765	0.421	2	119.9321	0.435	89	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	118.8685	1.097	2	119.9321	0.435	89	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	120.2060	0.071	2	119.9321	0.435	89	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,2|O<1>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.4655	0.040	2	119.9321	0.435	89	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|I<1>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.3240	0.000	1	119.9321	0.435	89	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.3470	0.000	1	119.9321	0.435	89	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.4600	0.299	3	119.9321	0.435	89	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.4790	0.126	2	119.9321	0.435	89	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.4395	0.463	2	119.9321	0.435	89	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.5170	0.000	1	119.9321	0.435	89	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.9080	0.000	1	119.9321	0.435	89	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,1|O<2>,1|S<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	118.9330	0.000	1	119.9321	0.435	89	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	119.5065	0.275	2	119.9321	0.435	89	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.6160	0.000	1	119.9321	0.435	89	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.0520	0.000	1	119.9321	0.435	89	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.5650	0.000	1	119.9321	0.435	89	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.4710	0.000	1	119.9321	0.435	89	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.6761	0.542	13	119.9321	0.435	89	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.2490	0.024	3	119.9321	0.435	89	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.7030	0.000	1	119.9321	0.435	89	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.7020	0.000	1	119.9321	0.435	89	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.0450	0.000	1	119.9321	0.435	89	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.7903	0.204	4	119.9321	0.435	89	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|N<3>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.4760	0.000	1	119.9321	0.435	89	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.4900	0.000	1	119.9321	0.435	89	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	119.3570	0.000	1	119.9321	0.435	89	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	118.0780	0.000	1	119.9321	0.435	89	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,4|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.7190	0.000	1	119.9321	0.435	89	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,5|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.4220	0.000	1	119.9321	0.435	89	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){2|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.6015	0.039	2	119.9321	0.435	89	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<2>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.8045	0.182	4	119.4450	0.907	28	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|C<2>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.2160	0.617	4	119.4450	0.907	28	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,7|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	118.3830	0.000	1	119.4450	0.907	28	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|O<1>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.3370	0.000	1	119.4450	0.907	28	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,8|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,3|C<4>,3|H<1>}	121.1475	0.202	2	119.4450	0.907	28	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	119.1890	0.000	1	119.4450	0.907	28	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.1130	0.000	1	119.4450	0.907	28	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	117.9010	0.000	1	119.4450	0.907	28	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.0430	0.116	3	119.4450	0.907	28	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,4|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,2|C<4>,3|H<1>}	121.1730	0.000	1	119.4450	0.907	28	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.6310	0.000	1	119.4450	0.907	28	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	118.9450	0.658	4	119.4450	0.907	28	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	118.3990	0.332	2	119.4450	0.907	28	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	118.5110	0.000	1	119.4450	0.907	28	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){4|C<3>,7|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,2|C<3>,4|H<1>}	121.1390	0.000	1	119.4450	0.907	28	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,1|S<4>,2|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S){2|C<3>,2|C<4>,3|H<1>}	120.5170	0.000	1	120.0730	0.394	2	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,1|S<4>,2|C<2>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.6290	0.000	1	120.0730	0.394	2	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)(N[5]C[5]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	118.6033	0.340	3	118.6033	0.116	3	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]I)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,1|I<1>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]I)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.7860	0.000	1	119.7860	0.000	1	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|N<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.4870	0.000	1	120.4870	0.000	1	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]N[5]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]N[5]2)(C[6a]C[6a]H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	120.3355	0.193	2	120.3432	0.044	4	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]N[5]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]N[5]2)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	120.3510	0.307	2	120.3432	0.044	4	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	120.6980	0.000	1	120.6980	0.000	1	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H){1|C<3>,1|F<1>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	121.6710	0.000	1	121.6710	0.000	1	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C[5])(N[5]C[5]Pd)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H){1|Pd<4>,1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C[5])(N[5]C[5]Pd){1|C<4>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	122.1443	1.258	3	122.1443	1.582	3	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|H<1>,2|O<2>}	121.0640	0.000	1	121.5345	0.443	2	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|H<1>,2|O<2>}	122.0050	0.000	1	121.5345	0.443	2	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	119.9800	0.000	1	120.4610	0.463	2	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,2|H<1>,2|O<2>}	120.9420	0.000	1	120.4610	0.463	2	120.0445	0.639	381	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5,5]C[3x5]C[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5,5]C[3x5]C[5]C)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	120.0970	0.000	1	120.0970	0.000	1	120.0739	0.318	7	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	119.4110	0.160	2	119.4110	0.026	2	120.0739	0.318	7	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5,5]C[3x5]C[5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5,5]C[3x5]C[5]O)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	120.1823	0.082	3	120.1823	0.007	3	120.0739	0.318	7	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5,5]C[3x5]N[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5,5]C[3x5]N[5]C)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|N<3>,4|H<1>}	121.0510	0.000	1	121.0510	0.000	1	120.0739	0.318	7	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|H<1>,3|C<3>}	120.4360	0.000	1	120.4360	0.000	1	120.4030	0.200	3	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|N<2>,3|H<1>}	120.8330	0.000	1	120.8330	0.000	1	120.4030	0.200	3	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|S<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	119.9400	0.000	1	119.9400	0.000	1	120.4030	0.200	3	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5,5])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[5a,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[5a,6a]H){1|H<1>,1|N<2>,7|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5,5])(H){1|N<2>,1|S<2>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[5a,6a]H){1|N<2>,2|H<1>,5|C<3>}	123.0560	0.357	4	123.0560	0.127	4	123.0560	0.127	4	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[6a]C[6a,6a]H){1|H<1>,8|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5])(H){1|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a,6a]H){2|H<1>,6|C<3>}	121.1570	0.000	1	121.1570	0.000	1	121.1570	0.000	1	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a,6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a,6a]H){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5])(H){1|H<1>,2|C<4>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a,6a]H)(N[5]C[5]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	122.1400	0.000	1	122.1400	0.000	1	122.1400	0.000	1	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[6]2O[5])(C[6a]C[6a]Br)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[6]2O[5])(C[6a]C[6a]Br){1|C<4>,1|O<2>,2|C<3>,2|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(Br){1|C<4>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[5]O[5]O){1|Br<1>,1|C<4>,1|O<2>,2|C<3>}	119.7640	0.000	1	119.7640	0.000	1	119.7640	0.000	1	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]Br)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]Br){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(Br){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	116.1750	0.000	2	116.1750	0.000	2	117.2223	3.291	3	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]N[6]2)(C[6a]C[6a]Br)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]N[6]2)(C[6a]C[6a]Br){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>,3|N<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|N<3>}	119.3170	0.000	1	119.3170	0.000	1	117.2223	3.291	3	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5,6]N[5,5a]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5,6]N[5,5a]C[6]2)(C[6a]C[6a]H){4|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	122.5990	0.086	2	122.5990	0.007	2	121.5338	0.823	6	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5,6]N[5,5a]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]N[5,5a]N[5a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5,6]N[5,5a]C[6]2)(C[6a]C[6a]H){1|N<2>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,5a]N[5,5a]N[5a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	121.0012	0.485	4	121.0012	0.235	4	121.5338	0.823	6	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a]H){1|Br<1>,5|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	120.5810	0.331	2	120.5810	0.110	2	120.1403	1.070	26	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	120.2185	0.223	2	119.5983	0.547	16	120.1403	1.070	26	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a]H){1|C<4>,4|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	119.9910	0.659	4	119.5983	0.547	16	120.1403	1.070	26	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a]H){2|C<4>,3|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	119.3172	0.721	10	119.5983	0.547	16	120.1403	1.070	26	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a]H){2|C<4>,3|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	119.1980	0.000	1	119.1980	0.000	1	120.1403	1.070	26	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]N[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]N[6]2)(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|N<3>,3|C<3>,3|H<1>}	120.8605	0.747	2	121.3218	0.276	6	120.1403	1.070	26	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]N[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]N[6]2)(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|N<3>,3|C<3>,3|H<1>}	121.5525	0.248	4	121.3218	0.276	6	120.1403	1.070	26	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6a]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6a]C[6]2)(C[6a]C[6a]H){1|O<1>,4|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	121.7850	0.000	1	121.7850	0.000	1	120.1403	1.070	26	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2C)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	119.9560	0.000	1	119.9560	0.000	1	120.4595	0.491	11	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2H)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	120.4890	0.000	1	120.4890	0.000	1	120.4595	0.491	11	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	120.1755	1.447	2	120.1755	2.095	2	120.4595	0.491	11	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]Si)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2H)(C[6a]C[6a]H){1|Si<4>,1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]Si)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	120.4025	0.118	2	120.4025	0.014	2	120.4595	0.491	11	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2O)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	120.9795	0.047	2	120.9795	0.002	2	120.4595	0.491	11	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.9980	0.000	1	119.9980	0.000	1	120.4595	0.491	11	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,6|C<3>}	121.6020	0.000	1	120.7480	1.459	2	120.4595	0.491	11	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){2|C<3>,2|C<4>,7|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	119.8940	0.000	1	120.7480	1.459	2	120.4595	0.491	11	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]C){2|H<1>,4|C<3>}	122.4720	0.000	1	122.1565	0.199	2	121.0366	1.094	12	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]C){2|H<1>,4|C<3>}	121.8410	0.000	1	122.1565	0.199	2	121.0366	1.094	12	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|N<3>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]H){1|N<3>,2|H<1>,3|C<3>}	121.2137	0.475	3	121.2137	0.225	3	121.0366	1.094	12	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]I)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|I<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]I){2|H<1>,4|C<3>}	121.3900	0.038	2	121.3900	0.001	2	121.0366	1.094	12	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,8|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,2|C<4>,4|H<1>}	119.3380	0.000	1	119.3380	0.000	1	121.0366	1.094	12	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]N[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]N[6]2)(C[6a]C[6a]H){2|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	119.9310	0.000	1	119.9310	0.000	1	121.0366	1.094	12	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[6]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[6]2N[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.1450	0.000	1	119.1450	0.000	1	121.0366	1.094	12	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[6]2O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[6]2O[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){2|H<1>,3|C<3>}	121.6455	0.322	2	121.6455	0.104	2	121.0366	1.094	12	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5,6]2C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5,6]2C)(C[6a]C[6a]H){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	119.1350	0.000	1	120.1213	0.748	3	120.0911	0.571	103	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5,6]2C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5,6]2C)(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	120.4780	0.000	1	120.1213	0.748	3	120.0911	0.571	103	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5,6]2C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5,6]2C)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,3|C<3>,3|H<1>}	120.7510	0.000	1	120.1213	0.748	3	120.0911	0.571	103	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5,6]2H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5,6]2H)(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<4>,2|C<3>,4|H<1>}	119.8760	0.000	1	119.8760	0.000	1	120.0911	0.571	103	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Br<1>,1|C<2>,1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	120.8340	0.000	1	120.6700	0.296	4	120.0911	0.571	103	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,2|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	121.2870	0.000	1	120.6700	0.296	4	120.0911	0.571	103	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,7|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,4|H<1>}	120.5750	0.000	1	120.6700	0.296	4	120.0911	0.571	103	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.9840	0.000	1	120.6700	0.296	4	120.0911	0.571	103	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Br<1>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	120.7180	0.000	1	120.7180	0.000	1	120.0911	0.571	103	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<2>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.9210	0.000	1	119.6496	0.199	9	120.0911	0.571	103	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.7373	0.279	3	119.6496	0.199	9	120.0911	0.571	103	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.7110	0.000	1	119.6496	0.199	9	120.0911	0.571	103	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,2|C<2>,2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.8595	0.630	2	119.6496	0.199	9	120.0911	0.571	103	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,3|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.1415	0.578	2	119.6496	0.199	9	120.0911	0.571	103	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){2|Cl<1>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	122.2090	0.000	1	121.5685	0.820	2	120.0911	0.571	103	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){2|Cl<1>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.9280	0.000	1	121.5685	0.820	2	120.0911	0.571	103	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,2|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	121.7050	0.000	1	120.1309	0.452	8	120.0911	0.571	103	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Cl<1>,1|N<2>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.5900	0.000	1	120.1309	0.452	8	120.0911	0.571	103	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.0670	0.000	1	120.1309	0.452	8	120.0911	0.571	103	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.8405	0.349	2	120.1309	0.452	8	120.0911	0.571	103	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.0090	0.000	1	120.1309	0.452	8	120.0911	0.571	103	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.8390	0.000	1	120.1309	0.452	8	120.0911	0.571	103	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Cl<1>,2|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.1560	0.000	1	120.1309	0.452	8	120.0911	0.571	103	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Cl<1>,1|C<2>,1|C<3>,2|C<4>,7|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	120.2830	0.000	1	120.2692	0.235	5	120.0911	0.571	103	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<2>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.5130	0.000	1	120.2692	0.235	5	120.0911	0.571	103	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	120.6105	0.363	2	120.2692	0.235	5	120.0911	0.571	103	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<2>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.3290	0.000	1	120.2692	0.235	5	120.0911	0.571	103	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|F<1>,1|N<2>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.5840	0.000	1	119.5840	0.000	1	120.0911	0.571	103	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|F<1>,2|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	121.0470	0.000	1	120.5507	0.320	3	120.0911	0.571	103	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|F<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.6700	0.000	1	120.5507	0.320	3	120.0911	0.571	103	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|F<1>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	119.9350	0.000	1	120.5507	0.320	3	120.0911	0.571	103	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Br)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Br)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	121.9390	0.000	1	121.9390	0.000	1	120.0911	0.571	103	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Br)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Br<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Br)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.7500	0.000	1	120.7500	0.000	1	120.0911	0.571	103	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	121.0635	0.165	2	119.9370	0.592	52	120.0911	0.571	103	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.1770	0.000	1	119.9370	0.592	52	120.0911	0.571	103	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<2>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.2040	0.000	1	119.9370	0.592	52	120.0911	0.571	103	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	121.4040	0.000	1	119.9370	0.592	52	120.0911	0.571	103	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.0270	0.000	1	119.9370	0.592	52	120.0911	0.571	103	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.5070	0.000	1	119.9370	0.592	52	120.0911	0.571	103	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.5020	0.000	1	119.9370	0.592	52	120.0911	0.571	103	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	119.7730	0.000	1	119.9370	0.592	52	120.0911	0.571	103	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.5770	0.000	1	119.9370	0.592	52	120.0911	0.571	103	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.4690	0.000	1	119.9370	0.592	52	120.0911	0.571	103	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.5340	0.000	1	119.9370	0.592	52	120.0911	0.571	103	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	117.5960	0.000	1	119.9370	0.592	52	120.0911	0.571	103	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|S<1>,1|S<2>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|S<1>,2|C<4>,2|H<1>}	118.9410	0.000	1	119.9370	0.592	52	120.0911	0.571	103	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	121.3900	0.000	1	119.9370	0.592	52	120.0911	0.571	103	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.8300	0.000	1	119.9370	0.592	52	120.0911	0.571	103	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.5710	0.000	1	119.9370	0.592	52	120.0911	0.571	103	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.2390	0.000	1	119.9370	0.592	52	120.0911	0.571	103	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	120.6110	0.308	2	119.9370	0.592	52	120.0911	0.571	103	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.0220	0.000	1	119.9370	0.592	52	120.0911	0.571	103	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.8910	0.000	1	119.9370	0.592	52	120.0911	0.571	103	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.3700	0.000	1	119.9370	0.592	52	120.0911	0.571	103	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,2|C<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.6460	0.263	2	119.9370	0.592	52	120.0911	0.571	103	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.5233	0.458	3	119.9370	0.592	52	120.0911	0.571	103	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.7110	0.000	1	119.9370	0.592	52	120.0911	0.571	103	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.4420	0.000	1	119.9370	0.592	52	120.0911	0.571	103	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.0330	0.922	3	119.9370	0.592	52	120.0911	0.571	103	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.4245	0.849	4	119.9370	0.592	52	120.0911	0.571	103	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.2166	0.722	8	119.9370	0.592	52	120.0911	0.571	103	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.2740	0.000	1	119.9370	0.592	52	120.0911	0.571	103	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.2390	0.000	1	119.9370	0.592	52	120.0911	0.571	103	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){2|C<3>,2|O<1>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	118.6450	0.000	1	119.9370	0.592	52	120.0911	0.571	103	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){2|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.1623	0.285	4	119.9370	0.592	52	120.0911	0.571	103	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<2>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	120.3133	0.177	3	120.0271	0.321	9	120.0911	0.571	103	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|Br<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	118.8210	0.000	1	120.0271	0.321	9	120.0911	0.571	103	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	120.4870	0.000	1	120.0271	0.321	9	120.0911	0.571	103	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.9760	0.000	1	120.0271	0.321	9	120.0911	0.571	103	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.4160	0.000	1	120.0271	0.321	9	120.0911	0.571	103	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	120.3020	0.260	2	120.0271	0.321	9	120.0911	0.571	103	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.8340	0.000	1	121.0015	0.056	2	120.0911	0.571	103	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	121.1690	0.000	1	121.0015	0.056	2	120.0911	0.571	103	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]O[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]O[6]2)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	120.4680	0.000	1	120.4680	0.000	1	120.0911	0.571	103	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5,6]C[5,6]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5,6]C[5,6]C[6]2)(C[6a]C[6a]H){1|C<3>,4|C<4>,7|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){2|C<3>,4|C<4>,4|H<1>}	119.6790	0.000	1	119.6790	0.000	1	120.5560	0.410	6	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5,6]O[5,6]C[6]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]O[5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5,6]O[5,6]C[6]H)(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]O[5,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	121.4480	0.000	1	121.4480	0.000	1	120.5560	0.410	6	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5,6]O[5,6]C[6]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]O[5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5,6]O[5,6]C[6]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]O[5,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	120.5523	0.403	4	120.5523	0.163	4	120.5560	0.410	6	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5,6]C[5,6]O[6]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5,6]C[5,6]O[6]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a,6a]H)(H){1|C<4>,1|O<2>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	121.7000	0.000	1	121.7000	0.000	1	121.7000	0.000	1	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]2)(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,5]C[5,5]Se[5])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]2)(C[6a]C[5,6a]H){1|Se<2>,1|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])2(H){1|C<4>,1|O<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5]Se[5])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|C<4>,1|H<1>,5|C<3>}	120.6560	0.000	1	120.6560	0.000	1	120.6560	0.000	1	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]CC)(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]CC)(C[6a]C[5,6a]H){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(H){1|S<2>,3|C<4>,4|C<3>}	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|H<1>,3|C<3>,3|C<4>}	120.3890	0.260	6	120.3890	0.068	6	120.2691	0.134	11	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a]2)(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a]2)(C[6a]C[5,6a]H){1|H<1>,1|S<2>,7|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(H){1|C<4>,1|S<2>,6|C<3>}	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|C<4>,1|H<1>,5|C<3>}	120.1252	0.451	5	120.1252	0.203	5	120.2691	0.134	11	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[5,6a]H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H){2|C<4>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){2|C<4>,2|H<1>,4|C<3>}	120.8178	0.127	4	120.6500	0.089	8	120.7835	0.116	11	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[5,6a]H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H){3|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){2|H<1>,3|C<3>,3|C<4>}	120.4822	0.342	4	120.6500	0.089	8	120.7835	0.116	11	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[5,6a]H){1|H<1>,8|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H){1|C<4>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|C<4>,2|H<1>,5|C<3>}	121.1393	0.082	3	121.1393	0.007	3	120.7835	0.116	11	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[5,6a]H){1|H<1>,1|O<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[5])(H){1|Se<2>,1|C<4>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]O){1|C<4>,1|H<1>,4|C<3>}	119.9380	0.000	1	119.9380	0.000	1	121.2390	1.280	3	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[5,6a]H){1|H<1>,1|O<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])2(H){1|C<4>,1|O<1>,1|O<2>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	121.9920	0.000	1	121.9920	0.000	1	121.2390	1.280	3	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]Cl)(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]Cl)(C[6a]C[5,6a]H){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])2(H){1|Cl<1>,1|C<4>,1|O<1>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]O){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	121.7870	0.000	1	121.7870	0.000	1	121.2390	1.280	3	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6,6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6,6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(H){2|H<1>,3|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H){1|C<4>,3|C<3>,4|H<1>}	119.8060	0.043	4	119.8060	0.002	4	119.8060	0.002	4	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6,6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]O[6])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6,6a]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]O[6])(H){1|C<4>,1|N<3>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]N[5]O){2|C<3>,2|H<1>,2|O<2>}	121.1130	0.000	1	121.1130	0.000	1	121.1130	0.000	1	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HO)(C[6a]C[6a]Br)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(Br)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HO)(C[6a]C[6a]Br){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(Br){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|Cl<1>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	120.0180	0.000	1	120.0180	0.000	1	120.0180	0.000	1	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]C[5]C)(C[6a]C[6a]Br)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]C[5]C)(C[6a]C[6a]Br){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Br){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	116.1910	0.000	1	116.1910	0.000	1	118.4082	0.933	8	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]Br)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5,6]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]Br){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5,6]C){1|Br<1>,1|H<1>,1|O<2>,2|C<4>,4|C<3>}	118.7102	0.425	6	118.7102	0.181	6	118.4082	0.933	8	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]Br)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]Br){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Br){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Br<1>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	118.8140	0.000	1	118.8140	0.000	1	118.4082	0.933	8	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]O)(C[6a]C[6a]Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]O)(C[6a]C[6a]Cl){2|Cl<1>,1|C<3>,1|N<2>,1|O<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O){2|Cl<1>,1|C<3>,1|O<2>,2|C<4>}	119.5370	0.000	1	119.9223	0.184	3	120.1158	0.272	4	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]O)(C[6a]C[6a]Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]O)(C[6a]C[6a]Cl){2|Cl<1>,1|O<1>,2|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O){2|Cl<1>,1|C<3>,1|O<2>,2|C<4>}	120.1150	0.380	2	119.9223	0.184	3	120.1158	0.272	4	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]O)(C[6a]C[6a]Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]O)(C[6a]C[6a]Cl){2|Cl<1>,1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O){2|Cl<1>,1|C<4>,1|O<2>,2|C<3>}	120.6960	0.000	1	120.6960	0.000	1	120.1158	0.272	4	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]Cl){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	119.5400	0.000	1	119.5400	0.000	1	119.5400	0.000	1	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]F)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(F)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]F){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(F){1|F<1>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,1|O<1>,2|C<3>,2|F<1>}	117.5970	0.000	1	117.5970	0.000	1	117.5970	0.000	1	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|P<4>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|P<4>,2|C<4>,2|H<1>,3|C<3>}	121.1590	0.000	1	121.1590	0.000	1	120.4885	0.454	23	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	120.3815	0.028	2	120.3815	0.001	2	120.4885	0.454	23	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	120.8125	0.216	2	120.8125	0.047	2	120.4885	0.454	23	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,2|O<2>,5|C<3>}	120.6565	0.125	2	120.6565	0.016	2	120.4885	0.454	23	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,6|H<1>}	120.5410	0.234	4	120.2446	0.155	10	120.4885	0.454	23	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,6|H<1>}	119.9367	0.264	3	120.2446	0.155	10	120.4885	0.454	23	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	120.6390	0.000	1	120.2446	0.155	10	120.4885	0.454	23	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	120.1200	0.000	1	120.2446	0.155	10	120.4885	0.454	23	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	119.7130	0.000	1	120.2446	0.155	10	120.4885	0.454	23	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HN)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,5]C[5,5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HN)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|N<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,5]C[5,5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|N<4>,1|O<2>,2|C<3>,2|H<1>}	121.0830	0.000	1	121.0830	0.000	1	120.4885	0.454	23	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|O<2>,3|C<3>,4|H<1>}	121.1840	1.953	2	121.1840	3.814	2	120.4885	0.454	23	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]CH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]N[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	119.0880	0.000	1	119.0880	0.000	1	120.4885	0.454	23	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5,5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]N[5,5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	120.6955	0.162	2	120.6955	0.026	2	120.4885	0.454	23	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,5a]C[5a,5a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]CC)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|S<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,5a]C[5a,5a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>,2|S<2>}	120.2145	0.579	2	120.2145	0.335	2	120.2836	0.362	29	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a]2)(C[6a]C[6a]H){1|S<2>,2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.0040	0.000	1	119.0040	0.000	1	120.2836	0.362	29	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	120.3230	0.184	2	120.3230	0.034	2	120.2836	0.362	29	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	120.4400	0.000	1	120.4400	0.000	1	120.2836	0.362	29	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]HH)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|S<2>,2|C<3>,4|H<1>}	120.2020	0.000	1	119.4980	0.991	2	120.2836	0.362	29	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]HH)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<3>,3|H<1>}	118.7940	0.000	1	119.4980	0.991	2	120.2836	0.362	29	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]HH)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,4|H<1>}	119.9480	0.000	2	119.9480	0.000	2	120.2836	0.362	29	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]CH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	120.2637	0.605	3	120.2637	0.366	3	120.2836	0.362	29	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]CH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]N[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]CH)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5a]N[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	119.7590	0.000	1	119.7590	0.000	1	120.2836	0.362	29	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]C[4]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]C[4]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	120.5700	0.000	1	120.5700	0.000	1	120.2836	0.362	29	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]C[6]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]C[6]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	120.3455	0.367	6	120.3455	0.135	6	120.2836	0.362	29	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|N<2>,3|C<3>}	120.9560	0.802	2	120.9560	0.643	2	120.2836	0.362	29	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]C[6a]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]C[6a]H)(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,3|C<3>,4|H<1>}	120.6310	0.000	1	120.6310	0.000	1	120.2836	0.362	29	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]HH)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,2|N<2>,4|H<1>}	120.9000	0.074	4	120.6154	0.409	5	120.2836	0.362	29	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	119.4770	0.000	1	120.6154	0.409	5	120.2836	0.362	29	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	120.9280	0.000	1	120.5163	0.132	3	120.7960	0.721	44	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|P<4>,3|H<1>,4|C<4>}	120.2380	0.000	1	120.5163	0.132	3	120.7960	0.721	44	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,3|H<1>,4|C<4>}	120.3830	0.000	1	120.5163	0.132	3	120.7960	0.721	44	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	119.6020	0.000	1	119.6020	0.000	1	120.7960	0.721	44	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|S<2>,2|C<3>,3|C<4>,3|H<1>}	121.4470	0.000	1	121.4470	0.000	1	120.7960	0.721	44	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	121.0080	0.382	2	120.2890	0.739	4	120.7960	0.721	44	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,4|C<4>,4|H<1>}	119.5700	0.061	2	120.2890	0.739	4	120.7960	0.721	44	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CN)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CN)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>,3|N<3>}	122.4630	0.000	1	122.4630	0.000	1	120.7960	0.721	44	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|F<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	120.6015	0.445	2	120.6015	0.198	2	120.7960	0.721	44	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	121.5390	0.000	1	121.5390	0.000	1	120.7960	0.721	44	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl){1|C<4>,3|H<1>,4|C<3>}	122.2140	0.000	1	122.2140	0.000	1	120.7960	0.721	44	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	121.1885	0.162	2	121.1885	0.026	2	120.7960	0.721	44	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	119.5680	0.000	1	119.5680	0.000	1	120.7960	0.721	44	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	121.3780	0.000	1	121.3780	0.000	1	120.7960	0.721	44	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,6|H<1>}	121.0620	0.000	1	120.2542	0.466	4	120.7960	0.721	44	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	119.4530	0.000	1	120.2542	0.466	4	120.7960	0.721	44	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	120.2510	0.321	2	120.2542	0.466	4	120.7960	0.721	44	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|C<3>,2|C<4>,6|H<1>}	121.2405	0.363	2	121.1517	0.089	3	120.7960	0.721	44	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	120.9740	0.000	1	121.1517	0.089	3	120.7960	0.721	44	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	119.5770	0.000	1	119.5770	0.000	1	120.7960	0.721	44	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	121.0975	0.115	4	121.0975	0.013	4	120.7960	0.721	44	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5])(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5])(H){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,5|H<1>}	119.9290	0.000	1	119.9290	0.000	1	120.7960	0.721	44	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HO)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	121.1770	0.000	1	121.0763	0.090	6	120.7960	0.721	44	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HO)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	121.2880	0.000	1	121.0763	0.090	6	120.7960	0.721	44	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HO)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	121.5110	0.000	1	121.0763	0.090	6	120.7960	0.721	44	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HO)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	120.8273	0.102	3	121.0763	0.090	6	120.7960	0.721	44	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HO)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,5|H<1>}	121.9540	0.100	2	121.9540	0.010	2	120.7960	0.721	44	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HP)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HP)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|P<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|P<4>,3|H<1>,4|C<3>}	121.4200	0.000	1	121.4200	0.000	1	120.7960	0.721	44	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]Os2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]Os2)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Os<5>,1|Os<6>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Os<5>,1|Os<6>,1|C<4>,2|C<3>,3|H<1>}	119.2035	0.037	2	119.2035	0.001	2	120.7960	0.721	44	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]C[3]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]C[3]C)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	122.1410	0.000	1	122.1410	0.000	1	120.7960	0.721	44	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]Si[5,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]Si[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]Si[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|F<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6]Si[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|F<1>,2|C<4>,3|C<3>,3|H<1>}	119.8260	0.000	1	119.8260	0.000	1	120.7960	0.721	44	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]B[5,6a]C[6a])(C[5]N[5,6a]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5,6a]N[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]B[5,6a]C[6a])(C[5]N[5,6a]HH)(C[6a]C[6a]H){1|B<3>,1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5,6a]N[5,6a]2)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|B<3>,4|H<1>}	121.2147	0.328	3	121.2147	0.108	3	121.2147	0.108	3	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<3>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	121.7180	0.000	1	121.1154	0.133	5	121.4946	0.398	8	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]N[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	120.9647	0.162	4	121.1154	0.133	5	121.4946	0.398	8	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<3>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]N[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	122.1267	0.412	3	122.1267	0.170	3	121.4946	0.398	8	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5,5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5,5]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	119.7580	0.000	1	119.7580	0.000	1	119.7580	0.000	1	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]BH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]BH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|B<3>,3|C<3>,4|H<1>}	120.2550	0.174	2	120.2550	0.030	2	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]B[5a]C[6a])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|B<3>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]B[5a]C[6a])(H){1|H<1>,2|C<4>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	120.0310	0.000	1	120.0310	0.000	1	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a]C[6a])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a]C[6a])(H){1|H<1>,1|N<2>,1|S<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	120.5766	0.071	5	120.4677	0.168	20	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a]C[6a])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a]C[6a])(H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	121.1495	0.180	2	120.4677	0.168	20	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a]C[6a])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a]C[6a])(H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	120.5090	0.326	3	120.4677	0.168	20	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a]C[6a])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a]C[6a])(H){1|H<1>,1|S<2>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	120.2956	0.456	8	120.4677	0.168	20	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a]C[6a])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a]C[6a])(H){1|N<2>,1|O<2>,1|S<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	120.2240	0.000	1	120.4677	0.168	20	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a]C[6a])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a]C[6a])(H){1|N<2>,2|C<4>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	120.0550	0.000	1	120.4677	0.168	20	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H){1|H<1>,2|C<4>,2|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	120.5935	0.309	2	120.3237	0.195	53	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	120.3849	0.347	48	120.3237	0.195	53	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H){3|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	119.1653	0.170	3	120.3237	0.195	53	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Au)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|Au<2>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Au)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	119.8530	0.222	4	119.8530	0.049	4	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<2>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,3|H<1>,4|C<3>}	122.3030	0.434	2	120.7160	0.632	17	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	120.5044	0.549	15	120.7160	0.632	17	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	122.1350	0.000	1	122.1350	0.000	1	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	120.3113	0.512	20	120.2640	0.279	48	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	120.2430	0.075	4	120.2640	0.279	48	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|Br<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	120.3174	0.837	10	120.2640	0.279	48	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	120.1643	0.352	14	120.2640	0.279	48	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	121.7115	0.365	4	121.7115	0.133	4	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[5])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[5])(H){1|H<1>,1|N<2>,1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	120.5330	0.000	1	119.8657	0.264	12	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[5])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[5])(H){1|H<1>,1|P<4>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	120.4620	0.532	2	119.8657	0.264	12	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[5])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[5])(H){1|Ir<6>,1|N<3>,1|S<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Ir<6>,2|C<4>,2|H<1>,3|C<3>}	119.4220	0.366	2	119.8657	0.264	12	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[5])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[5])(H){1|Ir<6>,2|C<4>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Ir<6>,2|C<4>,2|H<1>,3|C<3>}	120.1790	0.000	1	119.8657	0.264	12	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[5])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[5])(H){1|N<2>,2|C<4>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	119.6652	0.373	5	119.8657	0.264	12	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[5])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[5])(H){1|Se<2>,1|N<2>,1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	119.5830	0.000	1	119.8657	0.264	12	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[6])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[6])(H){1|Ir<6>,1|N<3>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Ir<6>,2|C<4>,2|H<1>,3|C<3>}	120.3010	0.129	2	120.1065	0.111	6	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[6])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[6])(H){1|Pt<4>,1|N<3>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Pt<4>,2|C<4>,2|H<1>,3|C<3>}	119.9925	0.548	2	120.1065	0.111	6	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[6])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[6])(H){1|Pt<6>,1|N<3>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Pt<6>,2|C<4>,2|H<1>,3|C<3>}	120.0260	0.355	2	120.1065	0.111	6	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	121.8640	0.180	2	121.4928	0.561	4	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	121.1215	1.049	2	121.4928	0.561	4	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,3|H<1>,4|C<3>}	121.6773	0.359	3	120.2469	0.491	134	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	120.6561	0.469	15	120.2469	0.491	134	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<5>,2|C<4>,2|H<1>,3|C<3>}	122.2230	0.000	1	120.2469	0.491	134	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	120.1391	0.650	115	120.2469	0.491	134	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]I)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,1|I<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]I){1|I<1>,2|C<4>,2|H<1>,3|C<3>}	122.2240	0.185	2	122.2240	0.034	2	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N){2|C<4>,2|H<1>,4|C<3>}	121.5260	0.873	2	121.9205	0.464	4	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N){2|H<1>,3|C<3>,3|C<4>}	122.3150	0.096	2	121.9205	0.464	4	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	121.0610	0.000	1	120.5746	0.112	5	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	120.2660	0.000	1	120.5746	0.112	5	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|S<2>,2|C<4>,2|H<1>,3|C<3>}	120.5153	0.229	3	120.5746	0.112	5	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	120.5710	0.000	1	120.7890	0.095	2	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,6|C<3>}	121.0070	0.000	1	120.7890	0.095	2	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	120.7790	0.000	1	121.3160	0.234	9	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	120.8740	0.025	2	121.3160	0.234	9	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	121.5528	0.414	6	121.3160	0.234	9	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,1|I<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	120.4610	0.000	1	120.4775	0.001	2	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,1|I<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H){1|I<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|I<1>,2|C<4>,2|H<1>,3|C<3>}	120.4940	0.000	1	120.4775	0.001	2	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	120.4709	0.552	21	120.4709	0.305	21	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5])(H){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	120.8680	0.193	3	120.2182	0.525	6	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5])(H){1|Ir<6>,1|N<3>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Ir<6>,2|C<4>,2|H<1>,3|C<3>}	119.5683	0.089	3	120.2182	0.525	6	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5a])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5a])(H){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	120.4146	0.454	5	120.4146	0.206	5	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6])(H){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	120.6490	0.000	1	120.6490	0.000	1	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]P)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,1|P<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]P)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	120.3277	0.412	3	120.3277	0.169	3	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Si)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|Si<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Si)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	120.0850	0.000	1	120.0850	0.000	1	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|F<1>,3|C<3>,3|H<1>}	120.4310	0.000	1	120.3051	0.356	150	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	120.3135	0.562	140	120.3051	0.356	150	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	120.6690	0.000	1	120.3051	0.356	150	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	118.4815	0.986	2	120.3051	0.356	150	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	120.6362	0.351	6	120.3051	0.356	150	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	120.5835	0.115	2	120.5835	0.013	2	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	120.4650	0.342	7	120.4650	0.117	7	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){1|H<1>,1|I<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	120.3545	3.334	2	120.3545	11.116	2	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	120.6088	0.586	5	120.6088	0.344	5	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CN)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CN)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	121.2295	0.763	2	121.2295	0.582	2	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|O<2>,3|C<3>,3|H<1>}	121.3220	0.246	100	121.2306	0.147	120	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	120.5524	0.387	12	121.2306	0.147	120	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	121.1055	0.692	8	121.2306	0.147	120	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|O<2>,2|H<1>,4|C<3>}	122.0220	0.000	1	122.0220	0.000	1	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	121.1293	0.041	3	121.1293	0.002	3	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CS)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CS)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	121.7500	0.000	1	121.7500	0.000	1	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CS)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CS)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,2|H<1>,3|C<3>}	121.8940	0.000	1	121.8940	0.000	1	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	119.6170	0.141	2	119.6170	0.020	2	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]Br)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]Br)(C[6a]C[6a]H){1|Br<1>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,3|H<1>}	120.8085	0.339	4	120.8085	0.115	4	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	120.1395	0.161	4	120.1896	0.028	7	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[6a]C[6a]H){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	120.4240	0.000	1	120.1896	0.028	7	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	120.1725	0.155	2	120.1896	0.028	7	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	119.3350	0.486	2	119.5323	0.282	4	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	119.7295	0.674	2	119.5323	0.282	4	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]N)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]N)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	120.3932	0.345	12	120.3932	0.119	12	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	119.4090	0.253	2	120.1185	0.211	10	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	120.2959	0.286	8	120.1185	0.211	10	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a]2)(C[6a]C[6a]H){2|H<1>,2|N<3>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	120.8920	0.343	8	120.8920	0.118	8	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,3|H<1>,4|C<3>}	121.2495	0.342	2	121.2495	0.117	2	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	120.5110	0.259	2	120.5110	0.067	2	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a]O)(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	120.8865	0.028	2	120.8865	0.001	2	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|N<3>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	122.2255	0.728	2	122.2255	0.529	2	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6]C)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	120.3010	0.000	1	120.3010	0.000	1	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,8|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H){1|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	120.2510	0.129	2	120.2510	0.017	2	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){1|Br<1>,1|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	120.4850	0.525	2	120.4850	0.275	2	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|N<2>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	121.8380	0.000	1	121.8380	0.000	1	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,2|N<2>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	121.0010	0.286	3	120.2799	0.343	78	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	120.7520	0.000	1	120.2799	0.343	78	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	120.2443	0.578	74	120.2799	0.343	78	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,2|N<2>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	119.1880	0.000	1	119.1880	0.000	1	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|N<2>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	120.8430	0.000	1	120.0595	1.228	2	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,7|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	119.2760	0.000	1	120.0595	1.228	2	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,3|H<1>,4|C<3>}	121.8495	0.064	2	121.3663	0.702	3	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	120.4000	0.000	1	121.3663	0.702	3	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	120.3460	0.328	2	120.3460	0.108	2	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){1|F<1>,1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Sn<4>,3|H<1>,4|C<3>}	121.8220	0.000	1	121.8220	0.000	1	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|S<2>,3|H<1>,4|C<3>}	119.0970	0.000	1	120.3246	0.196	23	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	120.3804	0.362	22	120.3246	0.196	23	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,2|H<1>,4|C<3>}	120.4700	0.369	2	120.4700	0.136	2	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	120.5080	0.000	1	120.5080	0.000	1	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){3|H<1>,5|C<3>}	121.4270	0.000	1	121.4270	0.000	1	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	121.5693	0.212	3	121.5693	0.045	3	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	121.2640	0.295	4	121.2640	0.087	4	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	121.4170	0.252	15	121.3021	0.271	16	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	119.5780	0.000	1	121.3021	0.271	16	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|I<1>,1|O<2>,2|H<1>,4|C<3>}	122.5910	0.853	2	120.9329	0.179	156	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|H<1>,4|C<3>}	120.8770	0.000	1	120.9329	0.179	156	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	121.8870	0.000	1	120.9329	0.179	156	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	120.9052	0.368	152	120.9329	0.179	156	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]S)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]S)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|S<2>,3|H<1>,4|C<3>}	120.8095	0.869	2	120.7220	0.266	4	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]S)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]S)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|S<4>,3|H<1>,4|C<3>}	120.6345	0.114	2	120.7220	0.266	4	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]FF)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]FF)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H){1|H<1>,2|F<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|F<1>,3|C<3>,3|H<1>}	122.3615	0.405	2	122.3615	0.164	2	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]GeC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]GeC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Ge<4>,1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Ge<4>,1|C<4>,3|C<3>,3|H<1>}	119.5927	0.398	4	119.5927	0.159	4	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]GeH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]GeH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Ge<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Ge<4>,3|C<3>,4|H<1>}	120.2368	0.132	4	120.2368	0.017	4	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]GeSi)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]GeSi)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Ge<4>,1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Ge<4>,1|Si<4>,3|C<3>,3|H<1>}	119.5110	0.369	2	119.5110	0.136	2	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H){3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	120.5854	0.169	5	120.5854	0.029	5	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	120.1360	0.758	3	120.1360	0.574	3	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	119.1773	1.875	4	119.9083	2.007	9	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	120.4932	0.645	5	119.9083	2.007	9	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){4|C<3>,4|H<1>}	122.8840	0.000	1	122.8840	0.000	1	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[6])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[6])(H){3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	121.4128	1.639	4	121.4128	2.685	4	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){3|C<3>,5|H<1>}	121.5670	0.000	1	121.8157	0.372	4	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|Cl<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){3|C<3>,5|H<1>}	121.8987	0.719	3	121.8157	0.372	4	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	121.6440	0.000	1	121.5007	0.033	4	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	121.4530	0.188	3	121.5007	0.033	4	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|F<1>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	120.6100	0.000	1	120.6100	0.000	1	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2){4|H<1>,6|C<3>}	120.6120	0.000	1	120.6120	0.000	1	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){3|C<3>,5|H<1>}	122.1173	0.361	3	122.1173	0.130	3	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	120.3150	0.000	1	120.4870	0.427	41	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	120.6430	0.332	2	120.4870	0.427	41	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|O<2>,3|C<3>,3|H<1>}	119.8110	0.000	1	120.4870	0.427	41	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,3|C<3>,4|H<1>}	120.6590	0.000	1	120.4870	0.427	41	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	120.1878	0.587	24	120.4870	0.427	41	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	121.1158	0.380	12	120.4870	0.427	41	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	119.6770	0.000	1	119.8180	0.033	6	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,4|H<1>}	119.8462	0.187	5	119.8180	0.033	6	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]O[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]O[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,4|H<1>}	119.2180	0.000	1	119.2180	0.000	1	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	121.7270	0.000	1	121.7270	0.000	1	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){4|C<3>,4|H<1>}	121.3730	0.000	1	121.3730	0.000	1	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	120.7659	0.619	10	120.7659	0.384	10	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|N<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,3|C<3>,4|H<1>}	119.4030	0.281	2	120.1978	0.661	9	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	120.8560	0.223	3	120.1978	0.661	9	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	120.5370	0.342	3	120.1978	0.661	9	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,1|N<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	118.7950	0.000	1	120.1978	0.661	9	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5])(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	121.4540	1.291	3	121.4540	1.666	3	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,4|H<1>}	120.6830	0.412	2	120.6727	0.085	3	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	120.6520	0.000	1	120.6727	0.085	3	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]O[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HO)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]O[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	120.1750	0.000	1	120.1750	0.000	1	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HP)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HP)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|P<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|P<3>,3|C<3>,4|H<1>}	119.4055	0.251	2	120.5429	0.272	14	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HP)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HP)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|P<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|P<4>,3|C<3>,4|H<1>}	120.7325	0.203	12	120.5429	0.272	14	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HS)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HS)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|S<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|S<4>,3|H<1>,4|C<3>}	122.7440	0.000	1	122.7440	0.000	1	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]MnH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]MnH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Mn<6>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Mn<6>,3|C<3>,4|H<1>}	119.0900	0.419	2	119.0900	0.175	2	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[3]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[3]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	120.3575	0.011	2	120.3575	0.000	2	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	120.9220	0.143	4	121.1171	0.130	18	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	121.1729	0.387	14	121.1171	0.130	18	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	120.1755	0.350	4	120.4562	0.280	6	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	121.0175	0.292	2	120.4562	0.280	6	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]Rh)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]Rh)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Rh<7>,1|H<1>,1|N<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Rh<7>,1|N<4>,3|C<3>,3|H<1>}	119.8535	0.469	2	119.8535	0.220	2	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[6]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[6]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	120.5390	0.000	1	120.2395	0.156	10	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[6]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[6]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	120.2031	0.431	8	120.2395	0.156	10	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[6]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[6]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	120.2310	0.000	1	120.2395	0.156	10	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]PP)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]PP)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|P<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|P<3>,3|C<3>,3|H<1>}	120.6840	0.103	2	120.3870	1.619	10	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]PP)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]PP)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|P<4>,3|C<3>,3|H<1>}	120.3127	1.431	8	120.3870	1.619	10	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]PdH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]PdH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Pd<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Pd<4>,3|C<3>,4|H<1>}	119.4340	0.124	2	119.4340	0.015	2	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]RuP)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]RuP)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Ru<7>,1|H<1>,1|P<5>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Ru<7>,1|P<5>,3|C<3>,3|H<1>}	117.1045	0.350	2	117.1045	0.123	2	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]SbH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]SbH)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|Sb<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Sb<2>,3|C<3>,4|H<1>}	120.2278	0.248	4	120.2278	0.062	4	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]Si2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]Si2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|Si<4>,3|C<3>,3|H<1>}	119.3375	0.196	2	119.3375	0.038	2	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]SiC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]SiC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Si<4>,1|C<4>,3|C<3>,3|H<1>}	119.9600	0.027	2	119.9600	0.001	2	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]SiH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]SiH)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|Si<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Si<4>,3|C<3>,4|H<1>}	119.7520	0.397	2	119.7520	0.158	2	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]SiH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]SiH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Si<4>,3|C<3>,4|H<1>}	119.9273	0.341	19	119.9273	0.117	19	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]SiSn)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]SiSn)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|Sn<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Si<4>,1|Sn<4>,3|C<3>,3|H<1>}	119.2880	1.536	2	119.2880	2.359	2	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]Si[4]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]Si[4]H)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Si<4>,3|C<3>,4|H<1>}	119.9450	0.178	4	119.9450	0.032	4	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]Si[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]Si[5]H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Si<4>,3|C<3>,4|H<1>}	120.2245	0.401	2	120.2245	0.161	2	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]SnO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]SnO)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|Sn<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Sn<4>,1|O<2>,3|C<3>,3|H<1>}	121.1120	0.233	2	121.1120	0.054	2	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]N[5,6a]CH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]N[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	122.0350	0.000	1	121.8685	0.055	2	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]N[5,6a]CH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]N[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	121.7020	0.000	1	121.8685	0.055	2	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]N[5,6a]CH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]N[5,6a]CH)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]N[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	119.8920	0.000	1	119.8920	0.000	1	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]N[5,6a]CO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]N[5,6a]CO)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]N[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|O<2>,2|H<1>,4|C<3>}	121.8020	0.000	1	121.8020	0.000	1	120.5651	0.549	1254	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	119.6890	0.000	1	119.9780	0.167	2	120.1963	0.609	81	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]HH)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	120.2670	0.000	1	119.9780	0.167	2	120.1963	0.609	81	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3]C[5]H)(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	121.1430	0.000	1	121.1430	0.000	1	120.1963	0.609	81	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3x5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3x5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3x5]HH)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3x5]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	120.1217	0.428	4	120.1217	0.184	4	120.1963	0.609	81	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]CH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|F<1>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	119.9310	0.000	1	119.9310	0.000	1	120.1963	0.609	81	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]CH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	119.2990	0.000	1	119.2145	0.014	2	120.1963	0.609	81	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]CH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	119.1300	0.000	1	119.2145	0.014	2	120.1963	0.609	81	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]CO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]CO)(C[6a]C[6a]H){1|F<1>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	120.0830	0.000	1	120.0830	0.000	1	120.1963	0.609	81	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]CO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]CO)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	121.0605	0.028	2	121.0605	0.001	2	120.1963	0.609	81	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]C)(C[6a]C[6a]H){3|C<3>,4|H<1>}	120.5420	0.000	1	120.5420	0.000	1	120.1963	0.609	81	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	119.2507	0.683	3	119.8130	0.309	27	120.1963	0.609	81	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	120.0030	0.000	1	119.8130	0.309	27	120.1963	0.609	81	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<2>,4|H<1>}	119.3630	0.000	1	119.8130	0.309	27	120.1963	0.609	81	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	119.7387	0.310	15	119.8130	0.309	27	120.1963	0.609	81	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	120.0975	0.308	2	119.8130	0.309	27	120.1963	0.609	81	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|O<1>,1|S<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|S<3>,2|C<3>,4|H<1>}	120.0025	0.276	2	119.8130	0.309	27	120.1963	0.609	81	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){3|C<3>,4|H<1>}	120.5180	1.138	3	119.8130	0.309	27	120.1963	0.609	81	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	120.1813	0.104	3	120.1813	0.011	3	120.1963	0.609	81	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HO)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){2|C<3>,2|O<2>,3|H<1>}	120.1653	0.620	7	120.1653	0.385	7	120.1963	0.609	81	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	118.8720	0.433	2	118.8720	0.187	2	120.1963	0.609	81	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]CH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]CH)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]C)(C[6a]C[6a]H){3|H<1>,4|C<3>}	120.7205	0.284	4	120.7205	0.081	4	120.1963	0.609	81	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]C){1|C<4>,2|C<3>,4|H<1>}	120.6200	0.000	1	120.6200	0.000	1	120.1963	0.609	81	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	120.2655	0.013	2	120.2713	0.000	4	120.1963	0.609	81	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	120.2770	0.018	2	120.2713	0.000	4	120.1963	0.609	81	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]2)(C[6a]C[6a]H){1|C<3>,5|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|C<3>,4|C<4>,4|H<1>}	119.8500	0.000	1	119.8500	0.000	1	120.1963	0.609	81	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H){1|Pt<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|Pt<4>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	119.1750	0.000	1	119.1750	0.000	1	120.1963	0.609	81	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H){1|O<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,2|H<1>,3|C<3>}	119.4945	0.695	2	119.4945	0.483	2	120.1963	0.609	81	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	121.3770	0.000	1	121.3770	0.000	1	120.1963	0.609	81	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	120.3030	0.000	1	120.3030	0.000	1	120.1963	0.609	81	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	120.4740	0.000	1	120.4740	0.000	1	120.1963	0.609	81	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[4]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[4]C[5])(C[6a]C[6a]H){1|C<2>,2|C<4>,3|C<3>,3|H<1>}	121.1000	0.000	1	121.1000	0.000	1	120.1963	0.609	81	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	119.9450	0.000	1	119.9450	0.000	1	120.1963	0.609	81	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	120.6440	0.000	1	120.9095	0.141	2	120.1963	0.609	81	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	121.1750	0.000	1	120.9095	0.141	2	120.1963	0.609	81	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	122.8870	0.000	1	122.2235	0.880	2	120.1963	0.609	81	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,1|S<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|H<1>,4|C<3>}	121.5600	0.000	1	122.2235	0.880	2	120.1963	0.609	81	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H){1|I<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|I<1>,1|N<3>,2|H<1>,4|C<3>}	120.4450	0.000	1	120.4450	0.000	1	120.1963	0.609	81	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H){1|H<1>,1|I<1>,1|O<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|I<1>,1|N<3>,2|H<1>,4|C<3>}	122.0860	0.153	2	122.0860	0.023	2	120.1963	0.609	81	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|H<1>,4|C<3>}	121.1770	0.000	1	121.1770	0.000	1	120.1963	0.609	81	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]S)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]S)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|S<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|S<2>,2|C<4>,4|C<3>}	120.1880	0.000	1	120.4755	0.165	2	120.1963	0.609	81	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]S)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]S)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	120.7630	0.000	1	120.4755	0.165	2	120.1963	0.609	81	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,8|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){6|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5]){1|H<1>,9|C<3>}	121.6110	0.532	2	121.6110	0.283	2	122.5683	0.718	7	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5]){1|S<2>,3|H<1>,6|C<3>}	121.9400	0.000	1	121.9400	0.000	1	122.5683	0.718	7	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5]){2|H<1>,8|C<3>}	123.2040	0.246	4	123.2040	0.060	4	122.5683	0.718	7	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3]C[5]H)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,4|H<1>}	120.2020	0.000	1	120.2020	0.000	1	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]2Ru)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]2Ru)(C[6a]C[6a]H){1|Ru<7>,1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Ru<6>,1|C<5>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Ru<6>,1|C<3>,1|C<5>,3|H<1>}	119.2060	0.000	1	119.2060	0.000	1	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]BrH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]Br)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]BrH)(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]Br){1|Br<1>,2|C<3>,3|H<1>}	120.8670	0.000	1	120.8670	0.000	1	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]BrH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]BrH)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|Cl<1>,1|C<3>,4|H<1>}	120.8910	0.000	1	120.8910	0.000	1	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|C<4>,4|H<1>}	118.3250	0.000	1	118.9850	0.871	2	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<4>,2|C<3>,3|H<1>}	119.6450	0.000	1	118.9850	0.871	2	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]CrH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]CrH)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cr<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Cr<4>,1|C<3>,4|H<1>}	119.5370	0.000	1	119.5370	0.000	1	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]IrP)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]IrP)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Ir<7>,1|H<1>,1|P<5>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Ir<7>,1|C<3>,1|N<3>,1|P<5>,2|H<1>}	119.4890	0.000	1	119.4890	0.000	1	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]C)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|H<1>,3|C<3>}	121.2820	0.000	1	121.2820	0.000	1	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5000	0.000	1	120.5000	0.000	1	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,2|C<4>,3|H<1>}	120.0370	0.000	1	120.0370	0.000	1	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]O[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]O)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]O[5]C)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]O)(C[5]O[5]O){1|C<3>,1|H<1>,2|C<4>}	120.5230	0.000	1	120.5230	0.000	1	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]O[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]O[5]H)(C[6a]C[6a]H){1|Fe<10>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,3|H<1>}	120.2970	0.000	1	120.2970	0.000	1	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]P[6]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]P[6]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|P<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|P<4>,2|C<3>,3|H<1>}	121.2720	0.000	1	121.2720	0.000	1	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]PdC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]PdC)(C[6a]C[6a]H){1|Pd<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Pd<10>,1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Pd<10>,1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	121.6340	0.825	4	121.6340	0.681	4	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]PdH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]PdH)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Pd<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Pd<4>,1|C<3>,4|H<1>}	120.0310	0.000	1	120.3585	0.215	2	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]PdH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]PdH)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Pd<7>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Pd<7>,1|C<3>,4|H<1>}	120.6860	0.000	1	120.3585	0.215	2	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]RhP)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]RhP)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Rh<7>,1|H<1>,1|P<5>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Rh<7>,1|C<3>,1|N<3>,1|P<5>,2|H<1>}	119.2290	0.000	2	119.2290	0.000	2	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]RuP)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]RuP)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Ru<8>,1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Ru<8>,1|C<3>,1|N<3>,1|P<4>,2|H<1>}	119.1915	0.473	4	119.1915	0.224	4	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]SiH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]SiH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Si<4>,2|C<3>,3|H<1>}	119.8930	0.000	1	119.8930	0.000	1	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]SiH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]SiH)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Si<4>,2|C<3>,3|H<1>}	120.0055	0.327	4	120.0055	0.107	4	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]SiH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]SiH)(C[6a]C[6a]H){1|C<3>,1|P<4>,1|S<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Si<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|Si<3>,1|C<3>,1|S<2>,3|H<1>}	121.6230	0.000	1	121.6230	0.000	1	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]ZrC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]ZrC)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Zr<14>,1|C<4>,1|C<5>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Zr<14>,1|C<3>,1|C<5>,3|H<1>}	118.6660	0.000	1	118.6660	0.000	1	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	119.5950	0.359	2	119.5950	0.129	2	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){3|C<3>,4|H<1>}	119.5740	0.054	2	119.5740	0.003	2	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|H<1>,3|C<3>}	121.4630	0.000	1	121.1625	0.181	2	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]C)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){3|C<3>,3|H<1>}	120.8620	0.000	1	121.1625	0.181	2	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|C<3>,3|H<1>}	121.3410	0.000	1	120.8667	0.155	4	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]H)(C[6a]C[6a]H){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){3|C<3>,3|H<1>}	120.8130	0.000	1	120.8667	0.155	4	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){3|C<3>,3|H<1>}	120.9290	0.000	1	120.8667	0.155	4	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]H)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){2|C<3>,4|H<1>}	120.3840	0.000	1	120.8667	0.155	4	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]O[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]O[5]H)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){2|C<3>,3|H<1>}	120.0300	0.000	1	120.4737	0.159	3	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]O[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]O[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){2|C<3>,3|H<1>}	120.6955	0.151	2	120.4737	0.159	3	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6,6]N[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6,6]N[5]C)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){2|C<3>,2|C<4>,2|H<1>}	119.2963	0.381	3	119.2963	0.145	3	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6]N[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6]N[5]H)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|S<4>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	119.8090	0.000	1	120.5570	1.119	2	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6]N[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6]N[5]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|C<3>,3|H<1>}	121.3050	0.000	1	120.5570	1.119	2	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6]N[5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6]N[5]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.9120	0.188	2	119.9120	0.035	2	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6]O[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6]O[5]H)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,3|H<1>}	120.3230	0.000	1	120.3230	0.000	1	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H){1|O<2>,1|P<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|P<4>,2|H<1>,3|C<3>}	120.7003	0.230	3	120.7003	0.053	3	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Cu)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2N[5])(C[6a]C[6a]H){1|Cu<3>,2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Cu){2|H<1>,4|C<3>}	120.5840	0.000	1	120.5840	0.000	1	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2O[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]N){2|H<1>,3|C<3>}	120.8672	0.514	6	120.8672	0.264	6	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2O[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){2|H<1>,3|C<3>}	120.4953	0.673	6	120.4953	0.453	6	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]S)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2S[5])(C[6a]C[6a]H){1|S<1>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]S){2|H<1>,3|C<3>}	119.8500	0.000	1	119.8500	0.000	1	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){2|H<1>,4|C<3>}	123.1990	0.000	1	123.1990	0.000	1	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]Si)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|Si<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]Si){1|C<4>,2|H<1>,3|C<3>}	121.7650	0.000	1	121.7650	0.000	1	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<2>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<2>,1|H<1>,1|O<2>,3|C<3>}	121.3060	0.000	1	121.3375	0.002	2	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<4>,2|H<1>,3|C<3>}	121.3690	0.000	1	121.3375	0.002	2	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){3|C<3>,4|H<1>}	119.8540	0.000	1	119.8540	0.000	1	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,5|H<1>}	120.5850	0.462	2	120.5850	0.214	2	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]Br)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]Br){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.5810	0.000	1	119.5810	0.000	1	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]I)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|I<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]I){3|C<3>,3|H<1>}	120.8970	0.000	1	120.8970	0.000	1	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){3|C<3>,3|H<1>}	119.8920	0.000	1	119.8920	0.000	1	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,4|H<1>}	119.9290	0.212	5	120.0516	0.212	27	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Cl<1>,3|C<3>,3|H<1>}	119.1450	0.000	1	120.0516	0.212	27	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|F<1>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|F<1>,3|C<3>,3|H<1>}	119.4370	0.000	1	120.0516	0.212	27	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,2|H<1>,3|C<3>}	119.7020	0.000	1	120.0516	0.212	27	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){3|C<3>,3|H<1>}	120.1637	0.454	18	120.0516	0.212	27	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|O<1>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,5|H<1>}	120.5180	0.000	1	120.0516	0.212	27	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.3537	0.150	3	120.3537	0.022	3	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|N<3>,2|C<3>,3|H<1>}	120.8540	0.000	1	120.8540	0.000	1	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,5|H<1>}	120.7690	0.000	1	120.7690	0.000	1	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	120.0820	0.000	1	120.2875	0.084	2	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<2>,2|H<1>,3|C<3>}	120.4930	0.000	1	120.2875	0.084	2	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){2|C<3>,2|C<4>,2|H<1>}	120.1205	0.614	2	120.4692	0.213	5	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|H<1>,3|C<3>}	120.5840	0.000	1	120.4692	0.213	5	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<2>,2|C<3>,3|H<1>}	120.9160	0.000	1	120.4692	0.213	5	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|C<3>,3|H<1>}	120.6050	0.000	1	120.4692	0.213	5	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|C<3>,3|H<1>}	120.8210	0.262	2	120.3417	0.191	13	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H){1|O<1>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	119.6000	0.000	1	120.3417	0.191	13	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H){1|O<1>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<2>,1|S<4>,2|C<3>,2|H<1>}	119.7490	0.000	1	120.3417	0.191	13	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H){1|O<1>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|S<4>,2|C<3>,3|H<1>}	120.5176	0.345	5	120.3417	0.191	13	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){3|C<3>,3|H<1>}	120.2157	0.236	4	120.3417	0.191	13	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|C<3>,3|H<1>}	121.7610	0.000	1	121.7610	0.000	1	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,1|S<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|S<4>,2|C<3>,3|H<1>}	122.2140	0.000	1	122.2140	0.000	1	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<2>,2|H<1>,3|C<3>}	121.6270	0.000	1	121.6270	0.000	1	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.9412	0.358	4	121.0087	0.170	11	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<2>,2|H<1>,3|C<3>}	121.9180	0.000	1	121.0087	0.170	11	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<2>,2|C<3>,3|H<1>}	120.9022	0.283	6	121.0087	0.170	11	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]H)(C[5]N[5]O){1|O<2>,2|C<3>,2|H<1>}	120.1770	0.000	1	120.1770	0.000	1	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]S)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]S)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|S<2>,2|C<3>,2|H<1>}	119.7480	0.000	1	119.7480	0.000	1	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<4>,2|C<3>,2|H<1>}	119.9955	0.272	2	119.9955	0.074	2	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){2|C<3>,3|H<1>}	120.5280	0.000	1	120.5280	0.000	1	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){2|C<3>,3|H<1>}	120.6595	0.248	8	120.6595	0.061	8	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]N)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]N)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|N<3>,2|C<3>,2|H<1>}	120.2620	0.000	1	120.2620	0.000	1	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|O<2>,2|C<3>,2|H<1>}	121.1370	0.000	1	121.1370	0.000	1	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]Cl2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]Cl2)(C[6a]C[6a]H){2|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){3|Cl<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Cl){3|Cl<1>,1|C<3>,1|H<1>}	121.4180	0.000	1	121.4180	0.000	1	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]Cl2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]Cl2)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Cl){2|Cl<1>,1|C<3>,2|H<1>}	121.4740	0.000	1	121.4740	0.000	1	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]IrN)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]IrN)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Ir<9>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|Ir<9>,1|C<3>,1|N<3>,2|H<1>}	122.2560	0.000	1	122.2560	0.000	1	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]O[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]O[5]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|N<3>,3|H<1>}	121.2930	0.270	2	121.2930	0.073	2	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5a]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5a]C[5]H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|N<3>,3|C<3>,3|H<1>}	120.9500	0.000	1	120.9500	0.000	1	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5a]O[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5a]O[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|N<3>,3|H<1>}	121.2390	0.000	1	121.2390	0.000	1	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[6]O[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[6]O[5]H)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|N<3>,3|H<1>}	120.6643	0.227	4	120.6643	0.051	4	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[6a]O[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[6a]O[5]H)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|N<3>,3|H<1>}	120.8630	0.000	1	120.8630	0.000	1	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]O[5]ClH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]O[5]ClH)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|Cl<1>,1|C<3>,3|H<1>}	121.0810	0.000	1	121.0810	0.000	1	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]Si[5]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]Si[5]C[5]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Si<4>,1|C<3>,1|C<4>,3|H<1>}	120.7680	0.000	1	120.7680	0.000	1	120.4531	0.572	176	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]B[5]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]B[5]C[5]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|F<1>,1|S<4>,2|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|B<3>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|B<3>,1|C<3>,1|C<4>,4|H<1>}	119.9790	0.000	1	119.9790	0.000	1	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]BrH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]BrH)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]C){1|Br<1>,1|N<3>,2|C<3>,3|H<1>}	121.3863	0.475	4	121.3863	0.226	4	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]BrH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]BrH)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]C){1|Br<1>,1|N<3>,2|C<3>,3|H<1>}	121.3860	0.000	1	121.3860	0.000	1	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]CC)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	120.0910	0.000	1	120.0910	0.000	1	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H){1|C<3>,1|F<1>,1|O<1>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	119.5640	0.000	1	119.5640	0.000	1	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<4>,2|C<3>,3|H<1>}	119.6780	0.000	1	119.6780	0.000	1	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]C[5]N)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]C[5]N)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	120.5100	0.000	1	120.5100	0.000	1	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,2|C<3>,4|H<1>}	120.2890	0.000	1	120.2890	0.000	1	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	120.4950	0.000	1	120.4180	0.012	2	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H){3|C<3>,4|H<1>}	120.3410	0.000	1	120.4180	0.012	2	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a]C[6a])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a]C[6a])(H){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	120.8090	0.000	1	120.8090	0.000	1	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	120.6410	0.000	1	120.6410	0.000	1	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	120.2290	0.197	2	120.1137	0.059	3	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	119.8830	0.000	1	120.1137	0.059	3	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	120.7750	0.000	1	120.7750	0.000	1	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	120.4370	0.066	2	120.1610	1.656	41	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	119.9956	1.370	33	120.1610	1.656	41	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){2|C<3>,2|H<1>,3|C<4>}	120.9788	0.462	6	120.1610	1.656	41	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]H){2|C<4>,2|H<1>,3|C<3>}	120.1382	0.453	10	120.1382	0.205	10	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	120.5165	0.309	2	120.5165	0.095	2	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5,6]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CH)(C[6a]C[6a]H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5,6]H){2|C<3>,2|C<4>,3|H<1>}	120.0260	0.000	1	120.6643	0.410	3	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5,6]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CH)(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5,6]H){1|C<4>,3|C<3>,3|H<1>}	120.9835	0.456	2	120.6643	0.410	3	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5,6]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5,6]H){1|C<4>,3|C<3>,3|H<1>}	120.5610	0.175	2	120.3333	0.171	3	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5,6]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CH)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5,6]H){2|C<3>,2|C<4>,3|H<1>}	119.8780	0.000	1	120.3333	0.171	3	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CO)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	120.8140	0.000	1	120.8140	0.000	1	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,2|C<4>,4|H<1>}	120.3480	0.413	2	120.3480	0.171	2	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]2C[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]2C[6])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.5890	0.000	1	120.5890	0.000	1	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]AlH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]AlH)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Al<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Al<4>,1|C<3>,4|H<1>}	117.9310	0.390	2	117.9310	0.152	2	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]BrC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]BrC)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|C<4>,1|O<1>,2|H<1>}	120.7000	0.000	1	120.7000	0.000	1	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]BrH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]BrH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|O<1>,3|H<1>}	120.2045	0.334	2	120.2045	0.112	2	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.0570	0.000	1	120.0400	0.001	2	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.0230	0.000	1	120.0400	0.001	2	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.1160	0.000	1	119.1160	0.000	1	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	118.1750	0.366	3	118.1750	0.134	3	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]F)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]F)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|F<1>,1|O<1>,2|H<1>}	120.0590	0.000	1	120.0590	0.000	1	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H){1|B<3>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<3>,1|C<4>,2|C<3>,3|H<1>}	120.3840	0.000	1	120.0960	0.166	2	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	119.8080	0.000	1	120.0960	0.166	2	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H){1|O<1>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	119.0805	0.683	4	119.0805	0.467	4	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]N)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]N)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	120.1910	0.000	1	120.1910	0.000	1	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	120.7460	0.000	1	120.4113	0.270	3	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.2440	0.610	2	120.4113	0.270	3	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	120.4540	0.000	1	120.3625	0.017	2	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.2710	0.000	1	120.3625	0.017	2	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]I)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H){1|I<1>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]I)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.8360	0.000	1	120.8360	0.000	1	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.0205	0.262	2	120.0205	0.069	2	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]Cl2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]Cl2)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){2|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|Cl<1>,1|C<3>,1|N<2>,2|H<1>}	119.7650	0.000	1	119.7650	0.000	1	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]Cl2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]Cl2)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|Cl<1>,1|C<3>,1|O<1>,2|H<1>}	120.6660	0.458	2	120.6660	0.210	2	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]Cl2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]Cl2)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){2|Cl<1>,1|C<3>,1|O<2>,2|H<1>}	120.3055	0.441	2	120.3055	0.194	2	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]ClC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]ClC)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,2|H<1>}	120.5020	0.000	1	120.5020	0.000	1	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]ClC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]ClC)(C[6a]C[6a]H){1|C<3>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,2|H<1>}	119.9765	0.046	2	119.9765	0.002	2	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]GaH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]GaH)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Ga<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ga<4>,1|C<3>,4|H<1>}	119.5760	0.004	2	119.5760	0.000	2	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[4]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[4]C)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	119.8260	0.000	1	119.8260	0.000	1	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[5]C)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	121.5990	0.000	1	121.5990	0.000	1	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	120.2160	0.000	1	120.2160	0.000	1	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[5]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	120.3760	0.000	1	120.3760	0.000	1	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[5]N)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[5]N)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	120.9690	0.000	1	120.9690	0.000	1	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[6]2)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,6|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>,3|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	119.3225	0.503	2	119.3225	0.253	2	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]PdC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]PdC)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C){1|Pd<4>,2|H<1>,4|C<3>}	118.0870	0.000	1	118.0870	0.000	1	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]PdS)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]Pd)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]PdS)(C[6a]C[6a]H){1|Pd<4>,1|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]Pd){1|Pd<4>,1|C<3>,1|S<2>,3|H<1>}	120.1280	0.000	1	120.1280	0.000	1	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]YbC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]YbC)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Yb<12>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Yb<12>,1|C<3>,1|C<4>,2|H<1>}	118.6405	0.276	2	118.6405	0.076	2	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]2C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]2C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	120.2850	0.000	1	120.2850	0.000	1	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]2C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]2C[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	119.9160	0.000	1	119.9160	0.000	1	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]2C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]2C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|N<2>,2|H<1>,3|C<3>}	120.8060	0.000	1	120.8060	0.000	1	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	120.6700	0.000	1	120.0460	0.779	2	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.4220	0.000	1	120.0460	0.779	2	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.4600	0.000	1	120.2154	0.103	7	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.1747	0.331	6	120.2154	0.103	7	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.2380	0.000	1	119.4796	0.112	5	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.6870	0.241	3	119.4796	0.112	5	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,2|H<1>,3|C<3>}	119.0990	0.000	1	119.4796	0.112	5	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,3|H<1>}	120.6130	0.000	1	120.6130	0.000	1	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,3|H<1>}	120.5990	0.000	1	120.5990	0.000	1	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,3|H<1>}	120.2950	0.000	1	120.2950	0.000	1	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H){1|F<1>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,3|H<1>}	119.9000	0.000	1	119.9000	0.000	1	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,3|H<1>}	119.7577	0.393	3	119.7577	0.155	3	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]N)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]N)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	121.2315	0.316	2	121.2315	0.100	2	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]N)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]N)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	120.6420	0.000	2	120.6420	0.000	2	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]N)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]N)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	120.4580	0.000	1	120.4580	0.000	1	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	120.8280	0.000	1	120.5420	0.062	3	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	120.3990	0.025	2	120.5420	0.062	3	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	119.6437	0.108	3	119.8373	0.158	4	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	120.4180	0.000	1	119.8373	0.158	4	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	120.3720	0.000	1	120.1470	0.101	2	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	119.9220	0.000	1	120.1470	0.101	2	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]S)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]S)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	120.1080	0.000	1	120.1080	0.000	1	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	120.2640	0.016	2	120.2640	0.000	2	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	120.0700	0.276	2	120.0700	0.076	2	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	120.0737	0.368	3	120.0737	0.135	3	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	120.2120	0.000	1	120.2120	0.000	1	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	118.9110	0.000	1	118.9110	0.000	1	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.2745	0.412	2	119.3500	0.102	3	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.5010	0.000	1	119.3500	0.102	3	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	117.7700	0.000	1	117.7700	0.000	1	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.9610	0.000	1	120.4755	0.529	2	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.9900	0.000	1	120.4755	0.529	2	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.4350	0.000	1	120.4350	0.000	1	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<2>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<2>,2|C<3>,4|H<1>}	120.3950	0.000	1	120.3950	0.000	1	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	121.0230	0.014	2	121.0230	0.000	2	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.3820	0.215	2	120.1447	0.192	3	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|F<1>,1|H<1>,1|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.6700	0.000	1	120.1447	0.192	3	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	120.9427	0.776	3	120.9427	0.603	3	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	121.4935	0.303	2	121.4935	0.092	2	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.3930	0.000	1	119.3930	0.000	1	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	120.4010	0.000	1	120.4010	0.000	1	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|F<1>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	120.6710	0.000	1	120.6710	0.000	1	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.4168	0.592	14	119.7234	0.402	24	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	120.0187	0.365	4	119.7234	0.402	24	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|H<1>,4|C<3>}	119.8910	0.000	1	119.7234	0.402	24	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.1993	0.448	4	119.7234	0.402	24	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	120.7640	0.000	1	119.7234	0.402	24	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<2>,1|C<4>,2|C<3>,3|H<1>}	121.6660	0.000	1	120.4013	1.151	12	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.2670	0.000	1	120.4013	1.151	12	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.2832	0.478	4	120.4013	1.151	12	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	119.9030	0.000	1	120.4013	1.151	12	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<2>,3|C<3>,3|H<1>}	121.6760	0.331	3	120.4013	1.151	12	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){3|H<1>,4|C<3>}	120.4090	0.115	2	120.4013	1.151	12	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<1>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.7450	0.923	2	119.7450	0.853	2	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	121.1320	0.000	1	121.1320	0.000	1	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]F)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]F)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|F<1>,1|N<2>,2|C<3>,2|H<1>}	120.7415	0.602	2	121.0617	0.489	3	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]F)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]F)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|F<1>,1|O<1>,2|C<3>,2|H<1>}	121.7020	0.000	1	121.0617	0.489	3	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,3|H<1>}	119.9740	0.454	2	119.9740	0.206	2	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C){1|O<1>,2|C<3>,3|H<1>}	121.2180	0.000	1	121.2180	0.000	1	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,3|H<1>}	119.1388	0.433	4	119.4438	0.606	5	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,3|H<1>}	120.6640	0.000	1	119.4438	0.606	5	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|S<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){3|C<3>,4|H<1>}	120.4430	0.000	1	120.4430	0.000	1	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	120.7141	0.477	7	120.7338	0.153	11	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	120.6570	0.000	1	120.7338	0.153	11	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	120.6080	0.000	1	120.7338	0.153	11	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	120.9040	0.296	2	120.7338	0.153	11	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	119.8600	0.000	1	119.8600	0.000	1	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|S<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|O<2>,2|H<1>,3|C<3>}	121.6775	0.381	2	121.6775	0.145	2	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	119.5590	0.000	1	119.5590	0.000	1	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	122.2380	0.000	1	122.2380	0.000	1	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	120.2060	0.000	1	120.3025	0.071	4	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	120.2475	0.392	2	120.3025	0.071	4	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|O<2>,3|H<1>}	120.5090	0.000	1	120.3025	0.071	4	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	120.3510	0.000	1	119.9953	0.115	3	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<2>,2|H<1>,3|C<3>}	119.8175	0.200	2	119.9953	0.115	3	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|O<2>,2|H<1>,3|C<3>}	120.4100	0.000	1	120.4100	0.000	1	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]S)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]S)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	121.1035	1.614	2	121.1035	2.606	2	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]2)(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	120.1780	0.675	2	120.1780	0.455	2	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	119.8660	0.338	2	120.1052	0.558	5	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	119.8050	0.000	1	120.1052	0.558	5	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	119.5970	0.000	1	120.1052	0.558	5	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	121.3920	0.000	1	120.1052	0.558	5	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	120.2120	0.000	1	120.2120	0.000	1	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]N)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]N)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>,3|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	120.1080	0.379	2	120.1080	0.144	2	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]N)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]N)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,3|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|N<3>}	120.5250	0.000	1	120.5250	0.000	1	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]S)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]S)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<3>,1|O<1>,1|S<2>,2|H<1>}	120.2620	0.563	2	120.2620	0.317	2	120.1592	0.769	289	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]C[5]Ru)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H){1|Ru<6>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]C[5]Ru){3|C<3>,3|H<1>}	119.5680	0.000	1	119.5680	0.000	1	119.5680	0.000	1	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[3x5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[3x5]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	119.3745	0.016	2	119.2897	0.022	3	119.7449	0.651	42	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[3x5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[3x5]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	119.1200	0.000	1	119.2897	0.022	3	119.7449	0.651	42	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	120.6090	0.000	1	120.6090	0.000	1	119.7449	0.651	42	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){2|C<4>,3|H<1>,5|C<3>}	120.6670	0.000	1	120.4292	0.031	4	119.7449	0.651	42	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	120.3500	0.092	3	120.4292	0.031	4	119.7449	0.651	42	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	119.6000	0.000	1	119.6000	0.000	1	119.7449	0.651	42	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]S)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,1|S<4>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	120.6570	0.000	1	120.6570	0.000	1	119.7449	0.651	42	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,3|C<3>,3|H<1>}	120.3083	0.236	3	119.7825	0.358	6	119.7449	0.651	42	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	119.2325	0.121	2	119.7825	0.358	6	119.7449	0.651	42	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	119.3050	0.000	1	119.7825	0.358	6	119.7449	0.651	42	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CO)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	119.8688	0.545	5	119.8688	0.297	5	119.7449	0.651	42	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]C[6a]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]C[6a]C)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	120.4400	0.000	1	120.4400	0.000	1	119.7449	0.651	42	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	119.3750	0.000	1	119.3750	0.000	1	119.7449	0.651	42	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]FF)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]FF)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|F<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]2)(C[6a]C[6a]H){1|N<3>,2|C<4>,2|F<1>,2|H<1>,3|C<3>}	121.4200	0.000	1	121.4200	0.000	1	119.7449	0.651	42	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]FF)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]FF)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|F<1>,2|H<1>,3|C<3>}	120.9345	0.332	2	120.9345	0.110	2	119.7449	0.651	42	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	119.8565	0.248	2	119.8565	0.062	2	119.7449	0.651	42	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	118.6627	0.388	3	119.0813	0.399	9	119.7449	0.651	42	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	118.9505	0.023	2	119.0813	0.399	9	119.7449	0.651	42	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	119.6483	0.815	3	119.0813	0.399	9	119.7449	0.651	42	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|O<1>,3|C<4>,3|H<1>}	118.8980	0.000	1	119.0813	0.399	9	119.7449	0.651	42	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|P<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]P[5])(C[6a]C[6a]H){1|Pd<4>,1|C<3>,1|C<4>,2|O<2>,5|H<1>}	118.9718	1.005	4	118.9718	1.010	4	119.7449	0.651	42	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]S[5])(C[6a]C[6a]H){2|O<1>,4|C<3>,4|H<1>}	120.3580	0.000	1	120.3580	0.000	1	119.7449	0.651	42	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|F<1>,2|H<1>}	120.2470	0.000	1	120.2470	0.000	1	120.1317	0.436	23	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]C)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]C){1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	119.9330	0.000	1	119.8460	0.015	2	120.1317	0.436	23	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]C)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]C){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	119.7590	0.000	1	119.8460	0.015	2	120.1317	0.436	23	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	120.3690	0.000	1	120.1857	0.231	9	120.1317	0.436	23	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	119.9410	0.212	2	120.1857	0.231	9	120.1317	0.436	23	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	120.3135	0.455	2	120.1857	0.231	9	120.1317	0.436	23	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){3|C<4>,3|H<1>,4|C<3>}	121.0120	0.000	1	120.1857	0.231	9	120.1317	0.436	23	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){2|C<3>,4|C<4>,4|H<1>}	120.4730	0.000	1	120.1857	0.231	9	120.1317	0.436	23	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	119.4500	0.000	1	120.1857	0.231	9	120.1317	0.436	23	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	119.8580	0.000	1	120.1857	0.231	9	120.1317	0.436	23	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	119.6050	0.000	1	119.6050	0.000	1	120.1317	0.436	23	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,6|H<1>}	120.2770	0.000	1	120.2770	0.000	1	120.1317	0.436	23	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C[6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C[6a]O)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<2>,1|O<2>,3|C<3>,4|H<1>}	120.0070	0.000	1	120.0070	0.000	1	120.1317	0.436	23	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	119.5510	0.000	1	119.2307	0.145	3	120.1317	0.436	23	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	119.0705	0.368	2	119.2307	0.145	3	120.1317	0.436	23	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	119.5510	0.000	1	119.5510	0.000	1	120.1317	0.436	23	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]O)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|H<1>,1|O<2>,1|S<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]O){1|O<1>,1|S<2>,3|C<3>,4|H<1>}	120.9290	0.000	1	120.9290	0.000	1	120.1317	0.436	23	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,7|H<1>}	120.5010	0.000	1	120.5010	0.000	1	120.1317	0.436	23	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HN)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HN)(C[6a]C[6a]H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	121.4290	0.137	2	121.4290	0.019	2	120.1317	0.436	23	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5,6]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	119.8470	0.204	3	119.8470	0.042	3	120.0700	0.998	8	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]Cl2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]Cl2)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){2|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){2|Cl<1>,1|C<3>,1|O<1>,2|H<1>,2|N<2>}	122.0310	0.000	1	122.0310	0.000	1	120.0700	0.998	8	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	120.9590	0.000	1	120.9590	0.000	1	120.0700	0.998	8	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	119.0660	0.270	2	119.0660	0.073	2	120.0700	0.998	8	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	119.8970	0.000	1	119.8970	0.000	1	120.0700	0.998	8	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,5]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){2|H<1>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]C[5]){1|C<4>,4|H<1>,5|C<3>}	121.7470	0.000	1	121.7470	0.000	1	120.9550	1.255	2	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,5]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[5]C[5,5]SiH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[5]C[5,5]SiH)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|Si<4>,1|H<1>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]C[5]){1|Si<4>,1|C<4>,3|H<1>,5|C<3>}	120.1630	0.000	1	120.1630	0.000	1	120.9550	1.255	2	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,5a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,5a])(C[5]C[5,5a]HO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,5a])(C[5]C[5,5a]HO)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5]){1|N<2>,1|N<3>,1|O<2>,3|H<1>,4|C<3>}	121.8390	0.000	1	121.8390	0.000	1	121.4362	0.063	5	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,5a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,5a])(C[5]C[5,5a]HS)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,5a])(C[5]C[5,5a]HS)(C[6a]C[6a]H){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|H<1>,1|S<2>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5]){2|S<2>,4|C<3>,4|H<1>}	121.3355	0.128	4	121.3355	0.016	4	121.4362	0.063	5	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){2|H<1>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5]){1|C<4>,3|H<1>,6|C<3>}	122.0530	0.000	1	122.0530	0.000	1	122.0530	0.000	1	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:N[5,5]-3:	C[5,6a](C[5,6a]C[6a,6a]N[5,5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])	C[5,6a](C[5,6a]C[6a,6a]N[5,5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5]){1|N<2>,5|C<3>,6|H<1>}	120.9670	0.000	1	120.9670	0.000	1	120.9670	0.000	1	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]S)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|S<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]S){4|C<3>,5|H<1>}	120.6710	0.000	1	120.6710	0.000	1	120.6710	0.000	1	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|C<5>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5]){2|C<4>,3|C<3>,3|H<1>,4|B<6>}	123.3180	0.000	1	123.3180	0.000	1	123.3180	0.000	1	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[3,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[3,5]C[6a])(C[5]C[3,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](N[3,5]Si[3,5]C[3,5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]N[3,5]C[6a])(C[5]C[3,5]HH)(C[6a]C[6a]H){2|Si<4>,1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](N[3,5]Si[3,5]C[3,5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|Si<4>,1|C<3>,2|C<4>,4|H<1>}	120.7850	0.802	2	120.7850	0.643	2	120.7850	0.643	2	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](N[5,5]C[5,5]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](N[5,5]C[5,5]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,6|H<1>}	120.7770	0.000	1	120.7770	0.000	1	120.7770	0.000	1	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]CH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](N[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	119.5235	0.482	2	119.5235	0.232	2	119.4471	0.460	10	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]CO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]CO)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](N[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	118.3190	0.223	2	118.3190	0.050	2	119.4471	0.460	10	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	120.2150	0.000	1	120.2150	0.000	1	119.4471	0.460	10	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]C[6a]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]C[6a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	120.2010	0.000	1	120.2010	0.000	1	119.4471	0.460	10	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](N[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]HH)(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,3|H<1>}	C[5,6a](N[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	119.6520	0.000	1	119.6520	0.000	1	119.4471	0.460	10	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	C[5,6a](N[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	119.5727	0.163	3	119.5727	0.027	3	119.4471	0.460	10	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6,6]C[6a])(C[5]C[5,3x6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6,6]C[5,3x6]C[6,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6,6]C[6a])(C[5]C[5,3x6]HH)(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[5,6a](N[5,6,6]C[5,3x6]C[6,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|C<3>,3|H<1>}	121.9520	0.000	1	121.9520	0.000	1	121.9520	0.000	1	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[4,5,6]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]C[4,5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[4,5,6]CC)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](N[5,6]C[4,5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,3|H<1>,4|C<4>}	120.2950	0.314	4	120.2950	0.099	4	120.4256	0.159	5	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](N[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	120.9480	0.000	1	120.9480	0.000	1	120.4256	0.159	5	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]C[5,6a]CO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]C[5,6a]CO)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	120.7845	0.588	2	120.7845	0.345	2	120.2622	0.496	8	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	119.3180	0.000	1	119.3180	0.000	1	120.2622	0.496	8	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]C[5,6a]C[5a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]C[5,6a]C[5a]O)(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	119.8040	0.000	1	119.8040	0.000	1	120.2622	0.496	8	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](N[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	119.4920	0.000	1	119.4920	0.000	1	120.2622	0.496	8	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]N[5,6a]CH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]N[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](N[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	120.4530	0.000	1	120.4530	0.000	1	120.2622	0.496	8	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]N[5,6a]CO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](N[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]N[5,6a]CO)(C[6a]C[6a]H){1|F<1>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|H<1>,1|O<2>,2|C<3>,2|N<3>}	C[5,6a](N[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	121.1830	0.000	1	121.1830	0.000	1	120.2622	0.496	8	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]N[5,6a]CO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]N[5,6a]CO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|N<3>}	C[5,6a](N[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	120.2790	0.000	1	120.2790	0.000	1	120.2622	0.496	8	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]N[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]2)(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]N[6a]O){1|C<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]2)(O){1|N<3>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|O<1>,2|C<3>,2|N<3>,3|H<1>}	122.2860	0.000	1	122.2860	0.000	1	122.2860	0.000	1	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]CH)(C[6a]N[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a]H)(O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]CH)(C[6a]N[6a]O){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a]H)(O){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	123.0875	0.841	2	123.0875	0.707	2	123.0875	0.707	2	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[5a,6a]H){1|H<1>,1|N<3>,7|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(H){8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){2|H<1>,6|C<3>}	121.0230	0.000	1	121.0230	0.000	1	121.0230	0.000	1	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6,6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6,6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[5,6a]C[5,6a]C[5])(H){2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H){1|C<4>,3|C<3>,4|H<1>}	120.2200	0.164	2	120.2200	0.027	2	120.2200	0.027	2	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[6]H)(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[6]H)(C[6a]C[6a,6a]H){2|C<4>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|N<3>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5]){1|N<3>,3|H<1>,6|C<3>}	121.0320	0.000	1	121.0320	0.000	1	121.0320	0.000	1	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]C)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a,6a]H){1|C<4>,1|O<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|F<1>,1|H<1>,1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]C)(C[5]O[5]O){2|H<1>,3|C<3>}	122.2620	0.000	1	122.2620	0.000	1	121.5765	0.940	2	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a,6a]H){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|O<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]O){2|H<1>,3|C<3>}	120.8910	0.000	1	120.8910	0.000	1	121.5765	0.940	2	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|C<5>,1|H<1>,3|C<3>}	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|H<1>,2|C<4>,3|C<3>,4|B<6>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	120.6441	0.279	7	120.6441	0.078	7	120.6731	0.073	8	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){1|C<6>,1|H<1>,7|C<3>}	C[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|C<6>,1|H<1>,4|B<6>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	120.8760	0.000	1	120.8760	0.000	1	120.6731	0.073	8	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:Ge[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Ge[5]C[5,6a]Ge[5]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Ge[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Ge[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Ge[5]C[5,6a]Ge[5]2)(C[6a]C[6a]H){1|Ge<4>,1|Pt<4>,2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]Ge[5])(C[6a]C[6a]H)(H){2|Ge<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Ge[5])(C[6a]C[6a]H){2|Ge<4>,3|C<3>,3|H<1>}	121.0810	0.470	4	121.0810	0.221	4	121.0810	0.221	4	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:Ge[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(Ge[5]C[6a]2O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Ge[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Ge[5])(C[6a]C[6a]H)(C[5]O[5]Cr)	C[5,6a](C[5,6a]C[6a]C[5])(Ge[5]C[6a]2O[5])(C[6a]C[6a]H){1|Cr<6>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]Ge[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]Ge[5])(C[6a]C[6a]H)(C[5]O[5]Cr){2|H<1>,3|C<3>}	120.6930	0.000	1	120.6930	0.000	1	120.1043	0.303	3	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:Ge[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(Ge[5]C[6a]2O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Ge[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Ge[5])(C[6a]C[6a]H)(C[5]O[5]Mo)	C[5,6a](C[5,6a]C[6a]C[5])(Ge[5]C[6a]2O[5])(C[6a]C[6a]H){1|Mo<6>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]Ge[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]Ge[5])(C[6a]C[6a]H)(C[5]O[5]Mo){2|H<1>,3|C<3>}	119.6020	0.000	1	119.6020	0.000	1	120.1043	0.303	3	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:Ge[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(Ge[5]C[6a]2O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Ge[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Ge[5])(C[6a]C[6a]H)(C[5]O[5]W)	C[5,6a](C[5,6a]C[6a]C[5])(Ge[5]C[6a]2O[5])(C[6a]C[6a]H){1|W<6>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]Ge[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]Ge[5])(C[6a]C[6a]H)(C[5]O[5]W){2|H<1>,3|C<3>}	120.0180	0.000	1	120.0180	0.000	1	120.1043	0.303	3	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]C[6a]Pd)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]C[6a]Pd)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Pd<4>,3|H<1>,4|C<3>}	122.5280	0.905	2	122.5280	0.819	2	122.5280	0.819	2	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]S)(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]S)(C[6a]C[5,6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[5,6a]C[5,6a]2)(H){1|P<4>,1|S<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[5,6a]H){1|P<4>,1|S<1>,2|H<1>,4|C<3>}	122.1490	0.362	2	122.1490	0.131	2	122.1490	0.131	2	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]P[5])(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[5,6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[5,6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]P[5])(H){1|H<1>,1|O<1>,1|P<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[5,6a]H)(C[5]C[5]H){1|H<1>,1|O<1>,1|P<4>,3|C<3>}	122.6440	0.680	2	122.6440	0.463	2	122.6440	0.463	2	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[5]C[6]O)(C[6a]C[6,6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6,6a]C[6,6a]2)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6,6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[5]C[6]O)(C[6a]C[6,6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6,6a]C[6,6a]2)(H){1|C<4>,1|O<1>,1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6,6a]H)(C[5]C[5]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	119.9030	0.000	1	119.9030	0.000	1	119.9030	0.000	1	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a,6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a,6a]C[6a,6a]2)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a,6a]H)(C[5]C[6a]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a,6a]C[6a,6a]2)(H){1|O<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a,6a]H)(C[5]C[6a]C[5]){1|H<1>,1|O<1>,6|C<3>}	121.2570	0.000	1	121.2570	0.000	1	121.2570	0.000	1	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]2C[5])(C[6a]C[6a]F)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]F)(C[5]C[5]B)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]2C[5])(C[6a]C[6a]F){1|B<4>,1|P<3>,2|F<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]F)(F){1|F<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]F)(C[5]C[5]B){1|P<3>,2|F<1>,3|C<3>}	122.4810	0.000	1	122.4810	0.000	1	122.4810	0.000	1	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(P[5]C[5,5]CO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]Si[5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(P[5]C[5,5]CO)(C[6a]C[6a]H){1|Si<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]Si[5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	121.4360	0.000	1	121.4360	0.000	1	121.2491	0.141	7	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(P[5]C[5,5]C[6a]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]S[5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(P[5]C[5,5]C[6a]C)(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]S[5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	121.1640	0.000	1	121.1640	0.000	1	121.2491	0.141	7	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(P[5]C[5,5]C[6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]P[5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(P[5]C[5,5]C[6a]O)(C[6a]C[6a]H){1|P<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]P[5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,5|C<3>}	120.6410	0.000	1	120.6410	0.000	1	121.2491	0.141	7	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(P[5]C[5,5]C[6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]Si[5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(P[5]C[5,5]C[6a]O)(C[6a]C[6a]H){1|Si<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]Si[5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	121.2340	0.233	2	121.2340	0.054	2	121.2491	0.141	7	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(P[5]C[5,5]C[6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(P[5]C[5,5]C[6a]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	121.1740	0.000	1	121.1740	0.000	1	121.2491	0.141	7	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(P[5]C[5,5]C[6a]Se)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(P[5]C[5,5]C[6a]Se)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|Se<1>,1|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|Se<1>,1|C<4>,2|H<1>,4|C<3>}	121.8610	0.000	1	121.8610	0.000	1	121.2491	0.141	7	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(P[5]C[5,5a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(P[5]C[5,5a]C[6a]C)(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	120.9850	0.000	1	120.9850	0.000	1	120.7747	0.021	4	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(P[5]C[5,5a]C[6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(P[5]C[5,5a]C[6a]O)(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	120.7047	0.050	3	120.7047	0.002	3	120.7747	0.021	4	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]BC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]BC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|B<4>,1|C<4>,3|C<3>,3|H<1>}	120.8570	0.252	2	120.8570	0.063	2	121.1087	0.361	64	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	120.9573	0.313	4	120.9573	0.098	4	121.1087	0.361	64	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]CO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]CO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	121.8860	0.600	2	121.8860	0.360	2	121.1087	0.361	64	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[5]S)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[5]S)(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|C<4>,1|S<1>,3|C<3>,3|H<1>}	121.5885	0.299	4	121.5885	0.089	4	121.1087	0.361	64	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]B)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]B)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|B<4>,3|H<1>,4|C<3>}	121.0865	0.360	10	121.0865	0.130	10	121.1087	0.361	64	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	121.6337	0.216	3	121.4100	0.133	5	121.1087	0.361	64	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	121.0745	0.252	2	121.4100	0.133	5	121.1087	0.361	64	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]Ir)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|Ir<8>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|Ir<8>,3|H<1>,4|C<3>}	120.9730	0.170	2	120.9730	0.029	2	121.1087	0.361	64	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]N)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]N)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	121.5745	0.252	2	121.5745	0.064	2	121.1087	0.361	64	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]C[6])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]C[6])(H){1|Ir<6>,1|N<3>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|Ir<6>,1|O<1>,2|H<1>,4|C<3>}	118.7940	0.000	1	118.7940	0.000	1	121.1087	0.361	64	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,3|C<3>,3|H<1>}	122.0810	0.789	2	120.9610	0.883	8	121.1087	0.361	64	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	120.5692	0.743	5	120.9610	0.883	8	121.1087	0.361	64	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	120.6800	0.000	1	120.9610	0.883	8	121.1087	0.361	64	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	120.5500	0.000	1	120.5500	0.000	1	121.1087	0.361	64	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	121.3395	0.141	2	121.3395	0.020	2	121.1087	0.361	64	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]Pt)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]Pt)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|Pt<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|Pt<4>,3|H<1>,4|C<3>}	120.7163	0.405	4	120.7163	0.164	4	121.1087	0.361	64	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]S)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]S)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]C)(H){1|H<1>,1|S<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|S<1>,3|H<1>,4|C<3>}	121.3345	0.303	2	121.3345	0.092	2	121.1087	0.361	64	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]S)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]S)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|S<1>,3|H<1>,4|C<3>}	121.5250	0.000	1	121.5250	0.000	1	121.1087	0.361	64	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]Se)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]Se)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|Se<1>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|Se<1>,3|H<1>,4|C<3>}	121.5870	0.247	2	121.5870	0.061	2	121.1087	0.361	64	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]MoC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]MoC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|Mo<6>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|Mo<6>,3|H<1>,4|C<3>}	121.0685	0.194	2	121.0685	0.038	2	121.1087	0.361	64	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]OO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]OO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	121.3920	0.561	4	121.3920	0.314	4	121.1087	0.361	64	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]RuC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]RuC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|Ru<6>,1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|Ru<6>,1|C<4>,3|C<3>,3|H<1>}	120.5340	0.191	2	120.5340	0.036	2	121.1087	0.361	64	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]SS)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]SS)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]C)(H){1|H<1>,2|S<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){2|S<1>,3|C<3>,3|H<1>}	121.1375	0.032	2	121.1375	0.001	2	121.1087	0.361	64	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]SS)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]SS)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,2|S<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){2|S<1>,3|C<3>,3|H<1>}	120.6440	0.332	2	120.6440	0.110	2	121.1087	0.361	64	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H){1|F<1>,1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]F)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	122.2510	0.000	1	122.2510	0.000	1	121.1340	0.643	14	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[5a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[5a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	121.2195	0.268	2	121.2393	0.037	3	121.1340	0.643	14	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[5a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[5a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	121.2790	0.000	1	121.2393	0.037	3	121.1340	0.643	14	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	121.3090	0.000	1	120.8879	0.876	7	121.1340	0.643	14	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H){1|P<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|P<4>,2|H<1>,4|C<3>}	121.3820	0.000	1	120.8879	0.876	7	121.1340	0.643	14	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|F<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|F<1>,1|H<1>,1|O<1>,5|C<3>}	121.8780	0.000	1	120.8879	0.876	7	121.1340	0.643	14	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	120.7023	0.982	3	120.8879	0.876	7	121.1340	0.643	14	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|O<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	119.5390	0.000	1	120.8879	0.876	7	121.1340	0.643	14	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]S)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[5a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]S)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[5a]C[5])(C[6a]C[6a]H){1|N<2>,1|S<1>,2|H<1>,4|C<3>}	121.9790	0.000	1	121.9790	0.000	1	121.1340	0.643	14	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]W)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]W)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|W<6>,4|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|W<6>,2|H<1>,5|C<3>}	120.8565	0.675	2	120.8565	0.456	2	121.1340	0.643	14	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(P[5]C[5,6a]CO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]P[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(P[5]C[5,6a]CO)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a,6a]H)(H){1|C<4>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]P[5]){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	122.3326	0.444	8	122.3326	0.197	8	122.1611	0.192	12	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(P[5]C[5,6a]C[4]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]P[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(P[5]C[5,6a]C[4]O)(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a,6a]H)(H){1|C<4>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]P[5]){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	121.8815	0.083	2	121.8815	0.007	2	122.1611	0.192	12	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(P[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]P[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(P[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a,6a]H)(H){1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]P[5]){1|O<1>,2|H<1>,7|C<3>}	121.7545	0.071	2	121.7545	0.005	2	122.1611	0.192	12	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[5]Mn2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[5]Mn2)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){2|Mn<6>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]H){2|Mn<6>,1|C<3>,3|H<1>}	119.9370	0.000	1	119.9370	0.000	1	121.2920	0.717	20	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]2C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]Cl)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]2C[5])(C[6a]C[6a]H){1|Cl<1>,2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]Cl){2|H<1>,4|C<3>}	122.0620	0.000	1	122.0620	0.000	1	121.2920	0.717	20	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]2C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]2C[5])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]H){2|H<1>,4|C<3>}	122.2590	0.049	2	122.2590	0.002	2	121.2920	0.717	20	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]C)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<4>,2|H<1>,3|C<3>}	122.0192	0.322	4	122.0192	0.104	4	121.2920	0.717	20	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]Mn)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]Mn)(C[6a]C[6a]H){1|Mn<6>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|Mn<6>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]H){2|Mn<6>,2|C<3>,2|H<1>}	122.3870	0.000	1	122.3870	0.000	1	121.2920	0.717	20	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]C){1|O<1>,2|C<3>,4|H<1>}	120.3720	0.000	1	120.3720	0.000	1	121.2920	0.717	20	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H){1|C<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<2>,1|O<1>,2|C<3>,2|H<1>}	120.6830	0.058	2	120.8475	0.061	6	121.2920	0.717	20	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	120.9297	0.271	4	120.8475	0.061	6	121.2920	0.717	20	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]W)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]W)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|W<6>,4|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]H){1|N<3>,1|W<6>,2|C<3>,2|H<1>}	121.9020	0.000	1	121.9020	0.000	1	121.2920	0.717	20	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]N[5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]N[5]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	121.0970	0.000	1	121.0970	0.000	1	121.2920	0.717	20	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]N[5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]N[5]O)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<1>,2|C<3>,3|H<1>}	119.6660	0.000	1	119.6660	0.000	1	121.2920	0.717	20	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]N[5]Pd)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]N[5]Pd)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Pd<4>,2|H<1>,3|C<3>}	120.7370	0.000	1	120.7370	0.000	1	121.2920	0.717	20	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(P[5]C[3x6]2C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(P[5]C[3x6]2C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|H<1>,7|C<4>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	121.6720	0.000	1	121.6720	0.000	1	120.4479	0.988	8	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(P[5]C[5]Cu2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(P[5]C[5]Cu2)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){2|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C){2|Cu<4>,1|C<3>,3|H<1>}	119.8024	0.283	5	119.8024	0.080	5	120.4479	0.988	8	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(P[5]C[5]RhO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(P[5]C[5]RhO)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|P<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|Rh<6>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Rh<6>,1|C<3>,1|O<2>,1|P<4>,3|H<1>}	120.7410	0.000	1	120.7410	0.000	1	120.4479	0.988	8	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(P[5]C[6a]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]N[5]Zn)	C[5,6a](C[5,6a]C[6a]N[5])(P[5]C[6a]2N[5])(C[6a]C[6a]H){1|Zn<4>,2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]N[5]Zn){2|H<1>,4|C<3>}	122.1580	0.000	1	122.1580	0.000	1	120.4479	0.988	8	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Ge[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]Ge[5])(P[5]C[6a]2Ge[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(Ge[5]C[6a]Ge[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]Ge[5])(P[5]C[6a]2Ge[5])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|Ge<2>,1|Ge<3>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(Ge[5]C[6a]Ge[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	121.0520	0.000	1	121.0520	0.000	1	121.0520	0.000	1	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(P[5]C[3x6]2C[5,5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(P[5]C[3x6]2C[5,5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|H<1>,7|C<4>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]P[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	120.9490	0.000	1	120.9490	0.000	1	120.5520	0.315	2	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(P[5]P[5,5]C[6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(N[5,5]P[5,5]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(P[5]P[5,5]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(N[5,5]P[5,5]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	120.1550	0.000	1	120.1550	0.000	1	120.5520	0.315	2	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(P[5]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(P[5]C[5]C[6]2)(C[6a]C[6a]H){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]P[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	121.0650	0.000	1	121.0650	0.000	1	121.0650	0.000	1	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[4,5]-3:C[6a]-3:	C[5,6a](C[5,6a]O[4,5]C[6a])(P[5]In[4,5]C[6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]P[5])(O[4,5]In[4,5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]O[4,5]C[6a])(P[5]In[4,5]C[6a]2)(C[6a]C[6a]H){1|In<6>,2|Cl<1>,1|C<4>,1|H<1>,1|O<2>,1|O<3>,5|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]C)(H){1|In<6>,1|H<1>,1|O<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(O[4,5]In[4,5]2)(C[6a]C[6a]H){4|Cl<1>,1|O<3>,1|P<4>,2|H<1>,2|O<2>,3|C<3>}	120.1930	0.000	1	120.1930	0.000	1	120.1930	0.000	1	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(P[5]Nb[5,5]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]C)(H)	C[5,6a](N[5,5]C[5,6a]Nb[5,5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(P[5]Nb[5,5]CC)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|H<1>,1|O<2>,1|P<4>,2|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]C)(H){1|Nb<5>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](N[5,5]C[5,6a]Nb[5,5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|C<2>,1|O<2>,1|P<4>,2|C<4>,2|H<1>,3|C<3>}	120.6655	0.008	2	120.2742	0.166	6	120.1727	0.210	7	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(P[5]Nb[5,5]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]C)(H)	C[5,6a](N[5,5]C[5,6a]Nb[5,5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(P[5]Nb[5,5]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|P<4>,2|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]C)(H){1|Nb<6>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](N[5,5]C[5,6a]Nb[5,5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|P<4>,2|C<4>,2|H<1>,2|O<2>,4|C<3>}	120.1540	0.030	2	120.2742	0.166	6	120.1727	0.210	7	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(P[5]Nb[5,5]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]C)(H)	C[5,6a](N[5,5]C[5,6a]Nb[5,5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(P[5]Nb[5,5]CC)(C[6a]C[6a]H){1|H<1>,1|O<2>,1|P<4>,2|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]C)(H){1|Nb<6>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](N[5,5]C[5,6a]Nb[5,5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|O<2>,1|P<4>,2|H<1>,3|C<3>,4|C<4>}	120.0030	0.588	2	120.2742	0.166	6	120.1727	0.210	7	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(P[5]Nb[5,5]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]C)(H)	C[5,6a](N[5,5]Nb[5,5]C[5,6])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(P[5]Nb[5,5]CC)(C[6a]C[6a]H){4|Cl<1>,1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]C)(H){1|Nb<7>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](N[5,5]Nb[5,5]C[5,6])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){4|Cl<1>,1|C<2>,1|P<4>,2|C<3>,2|C<4>,2|H<1>}	119.5640	0.000	1	119.5640	0.000	1	120.1727	0.210	7	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5a]C[6a])(P[5]C[5,5a]CO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5a]C[6a])(P[5]C[5,5a]CO)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](N[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,3|H<1>}	118.4800	0.000	1	118.4800	0.000	1	118.4800	0.000	1	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(P[5]Nb[5,6]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]C)(H)	C[5,6a](N[5,6]C[6,6a]Nb[5,6])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(P[5]Nb[5,6]CC)(C[6a]C[6a]H){2|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]C)(H){1|Nb<6>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](N[5,6]C[6,6a]Nb[5,6])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){2|Cl<1>,1|N<2>,1|N<3>,2|C<4>,2|H<1>,3|C<3>}	120.5620	0.455	2	120.5620	0.207	2	120.5620	0.207	2	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	O[4,4,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]O[4,4,5]C[6a])(P[5]In[3x4,5]C[6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](O[4,4,5]In[3x4,5,5]In[3x4,5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]O[4,4,5]C[6a])(P[5]In[3x4,5]C[6a]2)(C[6a]C[6a]H){1|In<6>,2|Cl<1>,2|H<1>,2|O<3>,5|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|In<6>,1|H<1>,1|O<3>,3|C<3>}	C[5,6a](O[4,4,5]In[3x4,5,5]In[3x4,5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){3|Cl<1>,2|H<1>,2|O<3>,2|P<4>,3|C<3>}	120.0940	0.000	1	120.0940	0.000	1	120.0940	0.000	1	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]O)(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]P[5])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]O)(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]P[5])(H){1|H<1>,1|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a,6a]H){1|O<1>,2|H<1>,5|C<3>}	121.4240	0.205	2	121.4240	0.042	2	121.4240	0.042	2	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]P[5])(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a,6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a,6a]H){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]P[5])(H){1|H<1>,1|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a,6a]H)(C[5]C[5]H){1|H<1>,1|O<1>,4|C<3>}	121.6190	0.000	1	121.6190	0.000	1	121.6190	0.000	1	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(P[5]C[5,6a]C[6a]O)(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]P[5])(H)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(P[5]C[5,6a]C[6a]O)(C[6a]C[6a,6a]H){7|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]P[5])(H){1|H<1>,1|O<1>,6|C<3>}	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5]){1|O<1>,3|H<1>,6|C<3>}	122.6030	0.000	1	122.6030	0.000	1	122.6030	0.000	1	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]C[5,5]OO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]P[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]C[5,5]OO)(C[6a]C[6a]H){1|P<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,2|O<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]P[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	122.6380	0.000	1	122.5175	0.029	2	122.8458	0.252	5	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]C[5,5]OO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]P[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]C[5,5]OO)(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,2|O<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]P[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	122.3970	0.000	1	122.5175	0.029	2	122.8458	0.252	5	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]C[5,5]OO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]Si[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]C[5,5]OO)(C[6a]C[6a]H){1|Si<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,2|O<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]Si[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,2|O<1>,3|C<3>}	123.1760	0.000	1	123.1760	0.000	1	122.8458	0.252	5	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]C[5,5]OO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]C[5,5]OO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,2|O<1>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	122.4600	0.000	1	122.4600	0.000	1	122.8458	0.252	5	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]N[5,5]OO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]N[5,5]OO)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[5,6a](C[5,5]N[5,5]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|O<1>,3|C<4>}	123.5580	0.000	1	123.5580	0.000	1	122.8458	0.252	5	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(S[5]C[5,5a]OO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(S[5]C[5,5a]OO)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,2|O<1>,3|C<3>}	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	122.3900	0.000	1	122.3900	0.000	1	122.9167	0.443	7	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(S[5]C[5,5a]OO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(S[5]C[5,5a]OO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,2|O<1>,3|C<3>}	C[5,6a](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	122.3885	1.030	2	122.3885	1.061	2	122.9167	0.443	7	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(S[5]C[5,5a]OO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(S[5]C[5,5a]OO)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]N)(H){1|H<1>,2|O<1>,3|C<3>}	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	123.3930	0.325	2	123.3930	0.106	2	122.9167	0.443	7	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(S[5]N[5,5a]OO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(S[5]N[5,5a]OO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,3|C<3>,3|H<1>}	123.2320	0.031	2	123.2320	0.001	2	122.9167	0.443	7	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]C[5,6]OO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]C[5,6]OO)(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	124.0190	0.038	2	124.0190	0.001	2	123.0057	0.650	20	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]C[5,6]OO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]C[5,6]OO)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<4>,2|O<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	120.7110	0.000	1	121.2995	0.693	2	123.0057	0.650	20	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]C[5,6]OO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]C[5,6]OO)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|O<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>,2|O<1>}	121.8880	0.000	1	121.2995	0.693	2	123.0057	0.650	20	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]C[5,6]OO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]P[6,6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]C[5,6]OO)(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,2|O<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]P[6,6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,3|O<1>,4|C<3>}	123.4060	0.413	2	123.4060	0.171	2	123.0057	0.650	20	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	122.8385	0.606	6	123.0949	0.238	13	123.0057	0.650	20	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	123.2807	0.219	6	123.0949	0.238	13	123.0057	0.650	20	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	123.5190	0.000	1	123.0949	0.238	13	123.0057	0.650	20	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	122.4310	0.000	1	122.4310	0.000	1	123.0057	0.650	20	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]C[5,5]OO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[5,5]C[5,5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]C[5,5]OO)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]O)(H){1|H<1>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5,5]C[5,5]2)(C[6a]C[6a]H){2|H<1>,2|O<1>,5|C<3>}	123.0890	0.085	2	123.0890	0.007	2	123.0890	0.007	2	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]FO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]FO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|F<1>,1|O<1>,3|C<3>,3|H<1>}	123.9700	0.997	4	123.9700	0.995	4	122.9187	1.464	50	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]NO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]NO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,3|C<3>,3|H<1>}	123.0550	0.063	4	123.0550	0.004	4	122.9187	1.464	50	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]2)(H){1|H<1>,2|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,3|C<3>,3|H<1>}	123.4350	0.352	2	123.4350	0.124	2	122.9187	1.464	50	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H){1|H<1>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,3|C<3>,3|H<1>}	123.2660	0.290	2	122.7997	0.237	6	122.9187	1.464	50	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H){1|N<3>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	122.5665	0.387	4	122.7997	0.237	6	122.9187	1.464	50	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]N)	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H){1|C<2>,1|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H){1|H<1>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]N){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	124.8722	0.346	4	124.8722	0.120	4	122.9187	1.464	50	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	123.6975	0.037	2	122.5899	0.902	27	122.9187	1.464	50	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,3|C<3>,3|H<1>}	123.4130	0.393	9	122.5899	0.902	27	122.9187	1.464	50	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|N<3>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	121.8049	0.828	9	122.5899	0.902	27	122.9187	1.464	50	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){2|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	122.2246	0.531	7	122.5899	0.902	27	122.9187	1.464	50	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	124.7430	0.000	1	124.7430	0.000	1	122.9187	1.464	50	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]N)(H){1|H<1>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,3|C<3>,3|H<1>}	120.0035	0.019	2	120.0035	0.000	2	122.9187	1.464	50	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a,6a]H)(H){2|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5]){2|H<1>,2|O<1>,6|C<3>}	124.5980	0.000	1	124.5980	0.000	1	124.5980	0.000	1	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]S[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a,6a]H)(H){2|O<1>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]S[5]){1|H<1>,2|O<1>,7|C<3>}	124.7900	0.000	1	124.7900	0.000	1	124.7900	0.000	1	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:Si[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Si[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5,5]C[5,6a]3)(C[6a]C[6a]H){1|Br<1>,1|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5,5])(C[6a]C[6a]Br)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Si[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	120.0592	0.327	4	120.0592	0.107	4	118.9180	1.468	20	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:Si[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Si[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5,5]C[5,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5,5])(C[6a]C[6a]H)(H){1|Br<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Si[5,5]C[6a])(C[6a]C[6a]H){1|Br<1>,2|H<1>,5|C<3>}	119.6343	0.238	4	118.6328	1.404	16	118.9180	1.468	20	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:Si[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Si[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5,5]C[5,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5,5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Si[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	118.2989	1.188	12	118.6328	1.404	16	118.9180	1.468	20	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(Si[5]C[5,5a]CC)(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]Si[5])(H)	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(Si[5]C[5,5a]CC)(C[6a]C[5,6a]H){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]Si[5])(H){1|Si<4>,1|S<2>,2|C<4>,4|C<3>}	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H){1|Si<4>,1|H<1>,2|C<4>,3|C<3>}	118.9840	0.000	1	118.9840	0.000	1	118.9840	0.000	1	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]Si[5])(H)	C[5,6a](C[5,6a]C[6a]Si[5])(C[5,5]C[5,5]S[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[5,6a]H){1|H<1>,1|S<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]Si[5])(H){1|Si<4>,1|S<4>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[5,5]C[5,5]S[5])(C[6a]C[5,6a]H){1|Si<4>,1|H<1>,2|C<4>,2|O<1>,3|C<3>}	118.4150	0.000	1	118.4150	0.000	1	118.4150	0.000	1	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[5,6a]H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[5,6a]C[5,6a]2)(H){1|Si<4>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H){1|Si<4>,2|C<4>,2|H<1>,3|C<3>}	119.5720	0.000	1	119.5720	0.000	1	119.7580	0.024	4	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]2)(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]2)(C[6a]C[5,6a]H){1|H<1>,8|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[5,6a]C[5,6a]2)(H){1|Si<4>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H){1|Si<4>,2|H<1>,5|C<3>}	119.7050	0.000	1	119.7050	0.000	1	119.7580	0.024	4	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]C)(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]C)(C[6a]C[5,6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[5,6a]C[5,6a]2)(H){1|Si<4>,1|C<4>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H){1|Si<4>,1|C<4>,2|H<1>,4|C<3>}	119.8775	0.083	2	119.8775	0.007	2	119.7580	0.024	4	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]F)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]F)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]F){2|F<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]F)(F){1|F<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]F){2|C<4>,3|C<3>,3|F<1>}	120.3310	0.000	1	120.3310	0.000	1	120.3310	0.000	1	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:B[5]-3:	C[5,6a](C[5,6a]C[6a]B[5])(Si[5]O[5]CC)(C[6a]C[6a]F)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]F)(B[5]O[5]O)	C[5,6a](C[5,6a]C[6a]B[5])(Si[5]O[5]CC)(C[6a]C[6a]F){1|C<3>,1|O<2>,2|F<1>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]F)(F){1|B<3>,1|C<3>,1|F<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]F)(B[5]O[5]O){1|C<3>,2|C<4>,2|F<1>}	119.6930	0.000	1	119.6930	0.000	1	119.6930	0.000	1	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]O[5]CC)(C[6a]C[6a]F)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(F)	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]O[5]CC)(C[6a]C[6a]F){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(F){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	116.8220	0.000	1	116.8220	0.000	1	116.8220	0.000	1	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]Se[5])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[6a]H){1|Se<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,5]C[5,5]Se[5])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	118.3920	0.110	2	118.3920	0.012	2	118.3920	0.012	2	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(Si[5]C[5,5a]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(Si[5]C[5,5a]CC)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]C)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	118.8130	0.000	1	118.8130	0.000	1	118.9528	0.276	9	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(Si[5]C[5,5a]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(Si[5]C[5,5a]CC)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	119.0000	0.000	1	119.0498	0.211	6	118.9528	0.276	9	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(Si[5]C[5,5a]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(Si[5]C[5,5a]CC)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	119.5440	0.000	2	119.0498	0.211	6	118.9528	0.276	9	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(Si[5]C[5,5a]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(Si[5]C[5,5a]CC)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	118.7370	0.367	3	119.0498	0.211	6	118.9528	0.276	9	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(Si[5]C[5,5a]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(Si[5]C[5,5a]CC)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	118.0320	0.000	1	118.0320	0.000	1	118.9528	0.276	9	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(Si[5]C[5,5a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(Si[5]C[5,5a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	119.4310	0.000	1	119.4310	0.000	1	118.9528	0.276	9	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(C[5,5]C[5,5]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[5,5]C[5,5]P[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	118.0605	0.138	2	118.4167	0.390	3	118.3210	0.297	4	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(C[5,5]C[5,5]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[5,5]C[5,5]P[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	119.1290	0.000	1	118.4167	0.390	3	118.3210	0.297	4	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(C[5,5]C[5,5]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[5,5]C[5,5]S[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,2|O<1>,3|C<3>}	118.0340	0.000	1	118.0340	0.000	1	118.3210	0.297	4	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]Si[5])(C[6a,6a]C[6a,6a]2)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a,6a]H)(H){2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]Si[5])(C[6a,6a]C[6a,6a]2){1|H<1>,2|C<4>,7|C<3>}	121.5790	0.163	2	121.5790	0.026	2	121.5790	0.026	2	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]B[5])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H){1|B<3>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]B[5])(H){1|H<1>,2|C<4>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	118.7740	0.000	1	118.7740	0.000	1	119.1016	0.452	60	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]C)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	119.0860	0.000	1	119.0860	0.000	1	119.1016	0.452	60	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	120.9260	0.000	1	119.0159	0.755	7	119.1016	0.452	60	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	118.6975	0.233	6	119.0159	0.755	7	119.1016	0.452	60	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	119.4897	0.253	3	119.4897	0.064	3	119.1016	0.452	60	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]N)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	119.0760	0.219	4	119.0760	0.048	4	119.1016	0.452	60	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]O)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	119.1568	0.436	4	119.3226	0.280	5	119.1016	0.452	60	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]O)(H){1|N<3>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	119.9860	0.000	1	119.3226	0.280	5	119.1016	0.452	60	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[5]C)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	118.6290	0.564	2	118.6290	0.318	2	119.1016	0.452	60	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	119.3100	0.374	8	118.9806	0.601	10	119.1016	0.452	60	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|N<3>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	117.6630	0.300	2	118.9806	0.601	10	119.1016	0.452	60	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	118.7193	0.415	6	118.7193	0.172	6	119.1016	0.452	60	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]Cl2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]Cl2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){2|Cl<1>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|Cl<1>,3|C<3>,3|H<1>}	120.2255	0.040	2	120.2255	0.002	2	119.1016	0.452	60	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]OO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]OO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|H<1>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|O<2>,3|C<3>,3|H<1>}	119.1296	0.510	8	119.1296	0.260	8	119.1016	0.452	60	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]RuO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]RuO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|Ru<9>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){1|Ru<9>,1|O<2>,3|C<3>,3|H<1>}	119.4715	0.257	2	119.4715	0.066	2	119.1016	0.452	60	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]Si2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]Si2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){2|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|Si<4>,3|C<3>,3|H<1>}	118.8070	0.000	1	118.8070	0.000	1	119.1016	0.452	60	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]Si[5]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]Si[5]2)(C[6a]C[6a]H){1|Pd<4>,1|Si<4>,2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){2|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|Si<4>,3|C<3>,3|H<1>}	118.8735	0.767	2	119.1398	1.004	8	119.1016	0.452	60	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]Si[5]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]Si[5]2)(C[6a]C[6a]H){1|Pt<4>,1|Si<4>,2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){2|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|Si<4>,3|C<3>,3|H<1>}	119.1783	1.438	4	119.1398	1.004	8	119.1016	0.452	60	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]Si[5]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]Si[5]2)(C[6a]C[6a]H){2|Si<4>,2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){2|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|Si<4>,3|C<3>,3|H<1>}	119.3290	0.133	2	119.1398	1.004	8	119.1016	0.452	60	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[5]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[5]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	119.0830	0.000	1	119.0830	0.000	1	119.2028	0.074	5	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[6a]2C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[6a]2C[5])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,6|C<3>}	119.2327	0.304	4	119.2327	0.092	4	119.2028	0.074	5	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[5]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[5]CC)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]C[5]H){2|C<3>,2|C<4>,2|H<1>}	118.8780	0.197	2	118.8780	0.039	2	118.9200	0.431	7	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[5]ClC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[5]ClC)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	119.5050	0.000	1	119.5050	0.000	1	118.9200	0.431	7	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[6a]2C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[6a]2C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<4>,2|H<1>,3|C<3>}	119.4880	0.352	2	119.4880	0.124	2	118.9200	0.431	7	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,3|H<1>}	118.1015	0.303	2	118.1015	0.092	2	118.9200	0.431	7	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(Si[5]C[5,5a]C[6a]C)(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]Si[5])(H)	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a,6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(Si[5]C[5,5a]C[6a]C)(C[6a]C[6a,6a]H){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]Si[5])(H){1|C<4>,1|H<1>,6|C<3>}	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a,6a]H){1|H<1>,2|C<4>,5|C<3>}	119.3505	0.071	2	119.3505	0.005	2	119.3505	0.005	2	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(Si[5]C[5,6a]CC)(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]Si[5])(H)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(Si[5]C[5,6a]CC)(C[6a]C[6a,6a]H){5|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]Si[5])(H){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5]){2|C<4>,3|H<1>,5|C<3>}	120.8460	0.000	1	120.8460	0.000	1	120.8460	0.000	1	120.4082	1.311	3466	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(B[5,5]N[5]O[5]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]B[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(B[5,5]N[5]O[5]2)(C[6a]C[6a]H){2|C<3>,3|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<4>,2|O<2>}	C[5,6a](C[5,6a]B[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	117.7410	0.000	1	117.7410	0.000	1	117.7410	0.000	1	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-4:	C[5,6a](C[5,6a]C[6a]N[5])(B[5,5]C[5]O[5]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]B[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]N[5])(B[5,5]C[5]O[5]2)(C[6a]C[6a]H){1|C<3>,2|F<1>,2|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<4>,2|O<2>}	C[5,6a](C[5,6a]B[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]CC){1|C<3>,2|F<1>,2|H<1>,2|O<2>}	116.0790	0.000	1	116.0790	0.000	1	116.0790	0.000	1	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:B[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(B[5,6]N[5]O[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(B[5,6]N[5]O[6]2)(C[6a]C[6a]H){1|B<3>,1|B<4>,1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]B[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<4>,2|O<2>}	C[5,6a](C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	117.2450	0.106	2	117.2958	0.155	6	117.2958	0.155	6	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:B[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(B[5,6]N[5]O[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(B[5,6]N[5]O[6]2)(C[6a]C[6a]H){1|C<3>,2|B<4>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]B[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<4>,2|O<2>}	C[5,6a](C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	117.1310	0.402	3	117.2958	0.155	6	117.2958	0.155	6	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:B[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(B[5,6]N[5]O[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(B[5,6]N[5]O[6]2)(C[6a]C[6a]H){1|C<3>,4|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]B[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<4>,2|O<2>}	C[5,6a](C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	117.8920	0.000	1	117.2958	0.155	6	117.2958	0.155	6	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]C[5]Cl)(C[6a]C[6a]F)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]F)(P[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]C[5]Cl)(C[6a]C[6a]F){2|C<4>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(F){1|Cl<1>,1|C<4>,1|F<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]F)(P[5]C[5]CC){1|Cl<1>,2|C<3>,2|F<1>,2|H<1>}	116.6945	0.260	2	116.6945	0.067	2	116.2294	0.980	10	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]C[5]F)(C[6a]C[6a]F)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]F)(P[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]C[5]F)(C[6a]C[6a]F){2|C<4>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(F){1|C<4>,1|P<4>,2|C<3>,2|F<1>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]F)(P[5]C[5]CC){2|C<3>,2|H<1>,3|F<1>}	116.0640	0.000	1	116.0640	0.000	1	116.2294	0.980	10	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]C[5]H)(C[6a]C[6a]F)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(F)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]F)(P[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]C[5]H)(C[6a]C[6a]F){1|F<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(F){1|C<4>,1|F<1>,1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]F)(P[5]C[5]CC){2|C<3>,2|F<1>,3|H<1>}	114.9640	0.000	1	114.9640	0.000	1	116.2294	0.980	10	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]C[5]O)(C[6a]C[6a]F)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]F)(P[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]C[5]O)(C[6a]C[6a]F){2|C<4>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(F){1|C<4>,1|F<1>,1|O<2>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]F)(P[5]C[5]CC){1|O<2>,2|C<3>,2|F<1>,2|H<1>}	117.0217	0.435	4	117.0217	0.189	4	116.2294	0.980	10	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]C[5]O)(C[6a]C[6a]F)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(F)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]F)(P[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]C[5]O)(C[6a]C[6a]F){1|F<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(F){1|C<4>,1|F<1>,1|O<2>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]F)(P[5]C[5]CC){1|O<2>,2|C<3>,2|F<1>,2|H<1>}	114.8950	0.223	2	114.8950	0.050	2	116.2294	0.980	10	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6]2N[5])(C[6a]C[6a]H){1|C<3>,5|H<1>,7|C<4>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<4>,3|C<4>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,2|H<1>,4|C<4>}	117.2950	0.000	1	117.2950	0.000	1	118.1014	0.680	10	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H){3|C<4>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH){2|C<4>,2|H<1>,3|C<3>}	117.4710	0.068	2	117.4710	0.005	2	118.1014	0.680	10	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]P[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2P[5])(C[6a]C[6a]H){2|C<4>,4|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]P[5]HH){2|C<4>,2|H<1>,3|C<3>}	117.2970	0.000	1	117.2970	0.000	1	118.1014	0.680	10	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]N[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]N[5]H)(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH){2|C<3>,2|C<4>,3|H<1>}	117.3640	0.000	1	117.3640	0.000	1	118.1014	0.680	10	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]N[5]Cl2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]N[5]Cl2)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<4>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH){2|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	119.0457	0.100	3	119.0457	0.010	3	118.1014	0.680	10	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]N[5]Cl2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]N[5]Cl2)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<4>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]HH){2|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	118.9790	0.000	1	118.9790	0.000	1	118.1014	0.680	10	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]P[5]Cl2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]P[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]P[5]Cl2)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|P<4>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]P[5]HH){2|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	118.0000	0.000	1	118.0000	0.000	1	118.1014	0.680	10	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]2O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(P[5]O[5]CC)	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]2O[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(P[5]O[5]CC){2|H<1>,3|C<3>}	115.9560	0.000	1	115.9560	0.000	1	116.3547	0.194	3	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]O[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(P[5]O[5]CC)	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]O[5]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|O<2>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(P[5]O[5]CC){2|C<3>,3|H<1>}	116.5540	0.387	2	116.5540	0.150	2	116.3547	0.194	3	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6a]-3:P[5]-4:	C[5,6a](C[5,6a]C[6,6a]P[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6,6a]C[6a])(H)	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]B[5])(P[5]C[6a]2N[5])	C[5,6a](C[5,6a]C[6,6a]P[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,8|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6,6a]C[6a])(H){1|C<4>,1|N<3>,1|P<4>,5|C<3>}	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]B[5])(P[5]C[6a]2N[5]){1|O<2>,2|C<4>,3|H<1>,7|C<3>}	116.8210	0.000	1	116.8210	0.000	1	116.8210	0.000	1	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,9|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	120.2150	0.000	1	120.5215	0.220	8	120.8790	0.295	26	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,7|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|N<3>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<3>,3|C<3>,3|H<1>}	120.9680	0.457	2	120.5215	0.220	8	120.8790	0.295	26	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,7|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,2|N<3>,3|H<1>}	120.2212	0.184	4	120.5215	0.220	8	120.8790	0.295	26	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,8|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	121.1360	0.000	1	120.5215	0.220	8	120.8790	0.295	26	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|C<3>,7|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	121.6225	0.279	2	121.6062	0.031	6	120.8790	0.295	26	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|C<3>,7|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	121.6975	0.180	2	121.6062	0.031	6	120.8790	0.295	26	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	121.4985	0.062	2	121.6062	0.031	6	120.8790	0.295	26	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<4>,2|C<3>,2|H<1>}	121.0330	0.000	1	121.0330	0.000	1	120.8790	0.295	26	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,2|C<4>,2|H<1>}	120.5385	0.479	2	120.5385	0.229	2	120.8790	0.295	26	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|O<1>,2|O<2>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]HO){1|C<4>,2|C<3>,2|H<1>}	120.8727	0.308	7	120.8727	0.095	7	120.8790	0.295	26	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,4|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<4>,3|C<3>,3|H<1>}	120.4420	0.000	1	120.4420	0.000	1	120.8790	0.295	26	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H){1|C<3>,3|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.3850	0.000	1	120.3850	0.000	1	120.8790	0.295	26	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a]S[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|F<1>,3|H<1>,3|O<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<4>,2|C<3>,3|H<1>}	118.8440	0.000	1	118.8440	0.000	1	118.8440	0.000	1	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[5,6a]H){1|O<2>,5|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H){1|O<2>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[5]C[5]CH){1|O<2>,3|C<3>,3|H<1>}	122.3580	0.000	1	122.3580	0.000	1	122.3580	0.000	1	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[5,6a](C[5,6a]C[6,6a]C[5,6])(C[5,6]C[5,6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6,6a]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6,6a]C[6,6a]C[6])(C[5,6]C[5,6]C[6]H)	C[5,6a](C[5,6a]C[6,6a]C[5,6])(C[5,6]C[5,6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6,6a]O)(H){1|C<3>,1|O<2>,4|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6,6a]C[6,6a]C[6])(C[5,6]C[5,6]C[6]H){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	120.8740	0.000	1	120.8740	0.000	1	120.8740	0.000	1	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,3|C<4>,8|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|C<3>,5|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,3|C<4>,3|H<1>}	120.2820	0.000	1	120.2820	0.000	1	120.6608	0.157	5	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|O<1>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|H<1>,4|C<3>}	121.0095	0.052	2	121.0095	0.003	2	120.6608	0.157	5	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[6]2O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[6]2O[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,8|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,2|C<4>,2|H<1>}	120.5015	0.433	2	120.5015	0.188	2	120.6608	0.157	5	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-4:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){2|C<3>,2|C<4>,9|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|N<4>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]HH){1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	119.2030	0.000	1	119.2030	0.000	1	119.2030	0.000	1	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6]O[5]H)(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6]O[5]H)(C[6a]C[5,6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]HH){1|O<2>,2|C<3>,2|H<1>}	121.9500	0.000	1	121.9500	0.000	1	121.9320	0.001	2	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[5,6a]H){2|H<1>,2|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]HO){1|O<2>,2|C<3>,2|H<1>}	121.9140	0.000	1	121.9140	0.000	1	121.9320	0.001	2	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]Br)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(Br)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]Br){2|Br<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(Br){1|Br<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]CC){2|Br<1>,1|C<4>,2|C<3>,2|H<1>}	120.2790	0.000	1	120.2790	0.000	1	120.2790	0.000	1	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]Cl){1|Si<4>,2|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]C[5]CH){1|Si<4>,2|Cl<1>,2|C<3>,2|H<1>}	120.6390	0.000	1	120.6390	0.000	1	120.6390	0.000	1	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]F)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]F){1|C<4>,2|F<1>,2|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(F){1|F<1>,1|N<3>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(S[5]N[5]OO){1|C<4>,2|F<1>,3|C<3>}	118.2375	0.455	4	118.2375	0.207	4	118.2375	0.207	4	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5]C[6]O[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5])(C[5]O[5]HO)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5]C[6]O[5]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5])(C[5]O[5]HO){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.0637	0.284	4	122.0637	0.081	4	122.0637	0.081	4	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H){1|Cl<1>,3|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]C[5]HH){1|C<3>,2|C<4>,4|H<1>}	121.1070	0.000	1	121.1070	0.000	1	120.5960	0.426	73	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,7|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	120.6623	0.553	3	120.6623	0.306	3	120.5960	0.426	73	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[4]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[4]H)(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<4>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<4>,5|H<1>}	120.3860	1.027	2	120.3860	1.054	2	120.5960	0.426	73	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|N<3>,2|C<3>,3|H<1>}	120.7030	0.000	1	120.7030	0.000	1	120.5960	0.426	73	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	121.2030	0.707	2	121.3550	0.319	3	120.5960	0.426	73	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H){3|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<3>,5|H<1>}	121.6590	0.000	1	121.3550	0.319	3	120.5960	0.426	73	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|Ru<6>,1|N<4>,2|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<4>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|Ru<6>,1|C<3>,1|C<4>,4|H<1>}	120.9940	0.153	2	120.9940	0.023	2	120.5960	0.426	73	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[6]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[6]H)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|N<3>,5|H<1>}	120.7210	0.000	1	120.7210	0.000	1	120.5960	0.426	73	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]O[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]O[5]H)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HO){1|C<3>,1|C<4>,3|H<1>}	121.2020	0.000	1	121.2020	0.000	1	120.5960	0.426	73	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]P[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]P[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]P[5]H)(C[6a]C[6a]H){1|Fe<4>,1|C<4>,1|P<4>,2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|P<4>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]P[5]HH){1|Fe<4>,1|C<3>,2|C<4>,3|H<1>}	119.7020	0.113	2	119.7020	0.013	2	120.5960	0.426	73	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]Ru2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]Ru2)(C[6a]C[6a]H){1|C<3>,1|P<5>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Ru<5>,1|Ru<6>,1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Ru<5>,1|Ru<6>,1|C<3>,1|P<5>,2|H<1>}	118.9430	0.000	1	118.9430	0.000	1	120.5960	0.426	73	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]RuC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]RuC)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Ru<9>,1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|Ru<9>,1|C<4>,2|C<3>,2|H<1>}	121.0980	0.000	1	120.6375	0.424	2	120.5960	0.426	73	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]RuC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]RuC)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Ru<10>,1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|Ru<10>,1|C<3>,2|C<4>,2|H<1>}	120.1770	0.000	1	120.6375	0.424	2	120.5960	0.426	73	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]RuC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]RuC)(C[6a]C[6a]H){1|Ru<5>,1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Ru<6>,1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Ru<5>,1|Ru<6>,1|C<3>,1|C<4>,2|H<1>}	120.4650	0.180	4	120.4650	0.032	4	120.5960	0.426	73	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]RuP)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]RuP)(C[6a]C[6a]H){1|Ru<5>,1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Ru<6>,1|C<3>,1|H<1>,1|P<5>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|Ru<5>,1|Ru<6>,1|C<3>,1|P<5>,2|H<1>}	120.3140	0.000	1	120.3140	0.000	1	120.5960	0.426	73	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]RuP)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]RuP)(C[6a]C[6a]H){1|Ru<5>,1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Ru<6>,1|C<3>,1|H<1>,1|P<5>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Ru<5>,1|Ru<6>,1|C<3>,1|P<5>,2|H<1>}	119.1370	0.000	1	119.1370	0.000	1	120.5960	0.426	73	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H){5|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){3|C<3>,4|H<1>}	119.7880	0.000	1	119.7880	0.000	1	120.5960	0.426	73	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H){2|C<2>,4|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<2>,2|H<1>,3|C<3>}	120.2670	0.000	1	120.2670	0.000	1	120.5960	0.426	73	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,2|C<3>,4|H<1>}	120.3210	0.443	3	120.3272	0.112	5	120.5960	0.426	73	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){3|C<3>,4|H<1>}	120.1670	0.000	1	120.3272	0.112	5	120.5960	0.426	73	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	120.5060	0.000	1	120.3272	0.112	5	120.5960	0.426	73	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){3|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,4|H<1>}	120.3440	0.000	1	120.3440	0.000	1	120.5960	0.426	73	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){3|C<3>,4|H<1>}	121.8505	0.354	2	121.8505	0.126	2	120.5960	0.426	73	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|Br<1>,1|S<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HH){1|S<4>,2|C<3>,4|H<1>}	120.4030	0.000	1	120.4030	0.000	1	120.5960	0.426	73	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){3|H<1>,4|C<3>}	120.6880	0.000	1	120.4435	0.120	2	120.5960	0.426	73	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,3|C<3>,3|H<1>}	120.1990	0.000	1	120.4435	0.120	2	120.5960	0.426	73	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,4|H<1>}	120.8195	0.093	2	120.7400	0.049	8	120.5960	0.426	73	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){3|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,5|H<1>}	120.7828	0.206	5	120.7400	0.049	8	120.5960	0.426	73	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){4|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,4|H<1>}	120.3670	0.000	1	120.7400	0.049	8	120.5960	0.426	73	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<4>,2|C<3>,4|H<1>}	119.6445	0.800	2	119.6445	0.640	2	120.5960	0.426	73	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	121.4120	0.000	1	121.4120	0.000	1	120.5960	0.426	73	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|O<2>,3|C<3>,3|H<1>}	121.2140	0.000	1	120.4573	0.696	3	120.5960	0.426	73	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	120.0790	0.730	2	120.4573	0.696	3	120.5960	0.426	73	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|O<2>,2|C<3>,4|H<1>}	120.6890	0.458	2	120.6890	0.210	2	120.5960	0.426	73	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|C<2>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|O<2>,2|C<3>,4|H<1>}	120.2360	0.000	1	120.2360	0.000	1	120.5960	0.426	73	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,1|O<3>,2|C<3>,3|H<1>}	121.3560	0.000	1	121.3560	0.000	1	120.5960	0.426	73	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|O<2>,2|H<1>,3|C<3>}	121.3030	0.000	1	121.3030	0.000	1	120.5960	0.426	73	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]Pd)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]Pd)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Pd<5>,1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|Pd<5>,2|H<1>,3|C<3>}	120.4640	0.899	2	120.4640	0.809	2	120.5960	0.426	73	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]Rh)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]Rh)(C[6a]C[6a]H){3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Rh<5>,1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Rh<5>,2|C<3>,3|H<1>}	120.7790	0.000	1	120.7790	0.000	1	120.5960	0.426	73	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|S<4>,2|C<3>,3|H<1>}	120.3680	0.000	1	120.3680	0.000	1	120.5960	0.426	73	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|Br<1>,2|C<3>,2|H<1>}	120.8350	0.000	1	120.9573	0.013	3	120.5960	0.426	73	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<2>,2|C<3>,2|H<1>}	121.0185	0.060	2	120.9573	0.013	3	120.5960	0.426	73	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]HH){2|C<3>,3|H<1>}	121.3875	0.145	2	121.3875	0.021	2	120.5960	0.426	73	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]S[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]S[5]H)(C[6a]C[6a]H){2|O<1>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]HH){2|C<3>,2|O<1>,3|H<1>}	120.0410	0.000	1	120.0410	0.000	1	120.5960	0.426	73	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]SiH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]SiH)(C[6a]C[6a]H){1|B<4>,1|C<3>,1|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|Si<4>,1|B<4>,1|C<3>,1|C<4>,3|H<1>}	119.7595	0.194	2	119.7595	0.038	2	120.5960	0.426	73	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5a]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5a]C[5]H)(C[6a]C[6a]H){1|F<1>,1|N<2>,2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|F<1>,1|N<3>,4|H<1>}	121.3400	0.000	1	120.5903	0.624	3	120.5960	0.426	73	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5a]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5a]C[5]H)(C[6a]C[6a]H){3|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<3>,5|H<1>}	120.2155	0.637	2	120.5903	0.624	3	120.5960	0.426	73	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[6,6]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[6,6]C[5]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|P<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<3>,5|H<1>}	121.6870	0.000	1	121.6870	0.000	1	120.5960	0.426	73	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]O[5]CW)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H){1|C<4>,1|W<6>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]O[5]CW){2|C<3>,3|H<1>}	120.0350	0.000	1	120.0350	0.000	1	120.0350	0.000	1	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5]N[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5]N[5]C)(C[6a]C[6a]H){1|C<4>,1|F<1>,2|C<3>,2|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<4>,2|C<3>,3|H<1>}	118.6300	0.000	1	118.6300	0.000	1	118.9366	0.259	11	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<1>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|S<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|C<4>,4|H<1>}	119.0410	0.000	1	119.0410	0.000	1	118.9366	0.259	11	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5a]N[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5a]N[5]C)(C[6a]C[6a]H){2|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){3|C<3>,3|H<1>}	119.5870	0.293	2	119.5870	0.086	2	118.9366	0.259	11	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]2N[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){2|H<1>,3|C<3>}	119.0085	0.702	2	118.8897	0.262	4	118.9366	0.259	11	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]2N[5])(C[6a]C[6a]H){2|O<1>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){3|C<3>,3|H<1>}	118.7710	0.488	2	118.8897	0.262	4	118.9366	0.259	11	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]CO)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]CO){1|C<4>,2|C<3>,2|H<1>}	118.0710	0.000	1	118.0710	0.000	1	118.9366	0.259	11	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]H){2|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<4>,2|C<3>,3|H<1>}	118.9140	0.057	2	118.9140	0.003	2	118.9366	0.259	11	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:N[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5]AlC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5]AlC)(C[6a]C[6a]H){1|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Al<4>,1|Cl<1>,1|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Al<4>,1|Cl<1>,1|C<3>,1|C<4>,3|H<1>}	121.4685	0.197	2	121.4685	0.039	2	122.8740	5.744	4	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:N[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5]ReH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5]ReH)(C[6a]C[6a]H){1|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Re<5>,1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Re<5>,1|C<3>,5|H<1>}	122.1240	0.000	1	122.1240	0.000	1	122.8740	5.744	4	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:N[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5]Pd)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5]Pd)(C[6a]C[6a]H){3|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Pd<4>,2|C<3>,4|H<1>}	126.4350	0.000	1	126.4350	0.000	1	122.8740	5.744	4	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]2N[5])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<4>,2|H<1>,3|C<3>}	123.2500	0.000	1	123.2500	0.000	1	120.9563	1.000	11	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]B)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]B)(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|B<4>,1|C<4>,2|C<3>,3|H<1>}	120.4730	0.000	1	120.4730	0.000	1	120.9563	1.000	11	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H){3|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<1>,2|C<3>,4|H<1>}	121.4120	0.187	2	121.4120	0.035	2	120.9563	1.000	11	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]S)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]S)(C[6a]C[6a]H){3|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|S<1>,2|C<3>,4|H<1>}	121.1210	0.000	1	121.1210	0.000	1	120.9563	1.000	11	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]O[5]B)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]O[5]B)(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|B<4>,2|C<3>,2|H<1>}	121.3170	0.481	2	121.3170	0.231	2	120.9563	1.000	11	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]O[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]O[5]C)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]O[5]CC){2|H<1>,3|C<3>}	119.8295	0.122	2	120.0387	0.139	3	120.9563	1.000	11	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]O[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]O[5]C)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<4>,2|C<3>,2|H<1>}	120.4570	0.000	1	120.0387	0.139	3	120.9563	1.000	11	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(P[5]N[5]Pd2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]N[5]Pd2)(C[6a]C[6a]H){2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){2|Pd<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]HH){2|Pd<3>,2|C<3>,2|H<1>}	120.1010	0.000	1	120.1010	0.000	1	120.9563	1.000	11	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-4:	C[5,6a](C[5,6a]C[6a]N[5])(P[5]C[6a]2B[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]B[5]CC)	C[5,6a](C[5,6a]C[6a]N[5])(P[5]C[6a]2B[5])(C[6a]C[6a]H){1|Br<1>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]B[5]CC){1|Br<1>,3|C<3>,3|H<1>}	119.4410	0.000	1	119.6055	0.054	2	119.6055	0.054	2	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-4:	C[5,6a](C[5,6a]C[6a]N[5])(P[5]C[6a]2B[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]B[5]CC)	C[5,6a](C[5,6a]C[6a]N[5])(P[5]C[6a]2B[5])(C[6a]C[6a]H){2|C<4>,4|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]B[5]CC){3|C<3>,4|H<1>}	119.7700	0.000	1	119.6055	0.054	2	119.6055	0.054	2	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a]S[5])(P[5]C[6a]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(P[5]C[6a]2N[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<4>,1|H<1>,3|C<3>}	119.6300	0.000	1	119.6300	0.000	1	119.6300	0.000	1	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[5]CO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[5]CO)(C[6a]C[6a]H){1|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	119.1845	0.004	2	119.1845	0.000	2	118.7518	0.258	4	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]O[5]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]O[5]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,2|C<4>,2|H<1>}	118.3190	0.154	2	118.3190	0.024	2	118.7518	0.258	4	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:4:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:Si[5]-4:	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]Si)(Si[5]O[5]CC)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]Si)(Si[5]O[5]CC){1|C<3>,2|C<4>,2|H<1>}	120.7180	0.000	1	120.7180	0.000	1	120.7180	0.000	1	119.9393	2.875	187	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:As[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:As[5]-4:C[6a]-3:	C[5,6a](C[5,6a]As[5]C[6a])(As[5]B[5]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]As[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]As[5]C[6a])(As[5]B[5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]As[5]C[6a])(As[5]B[5]CC)(C[6a]C[6a]H){2|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]As[5])(C[6a]C[6a]H)(H){1|As<4>,1|B<4>,1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]As[5]C[6a])(As[5]B[5]CC)(C[6a]C[6a]H){2|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	120.2430	1.336	2	120.2430	1.786	2	119.9149	0.715	9	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:As[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:As[5]-4:C[6a]-3:	C[5,6a](C[5,6a]As[5]C[6a])(As[5]C[5]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]As[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]As[5]C[6a])(As[5]C[5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]As[5]C[6a])(As[5]C[5]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]As[5])(C[6a]C[6a]H)(H){1|As<4>,1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]As[5]C[6a])(As[5]C[5]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	120.6120	0.470	2	120.6120	0.220	2	119.9149	0.715	9	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:As[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:As[5]-4:C[6a]-3:	C[5,6a](C[5,6a]As[5]C[6a])(As[5]Ga[5]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]As[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]As[5]C[6a])(As[5]Ga[5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]As[5]C[6a])(As[5]Ga[5]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>,2|I<1>}	C[6a](C[5,6a]C[5,6a]As[5])(C[6a]C[6a]H)(H){1|As<4>,1|Ga<4>,1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]As[5]C[6a])(As[5]Ga[5]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>,2|I<1>}	118.6970	0.000	1	118.6970	0.000	1	119.9149	0.715	9	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:As[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:As[5]-4:C[6a]-3:	C[5,6a](C[5,6a]As[5]C[6a])(As[5]In[5]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]As[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]As[5]C[6a])(As[5]In[5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]As[5]C[6a])(As[5]In[5]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>,2|I<1>}	C[6a](C[5,6a]C[5,6a]As[5])(C[6a]C[6a]H)(H){1|As<4>,1|In<4>,1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]As[5]C[6a])(As[5]In[5]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>,2|I<1>}	119.4220	0.000	1	119.4220	0.000	1	119.9149	0.715	9	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:As[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:As[5]-4:C[6a]-3:	C[5,6a](C[5,6a]As[5]C[6a])(As[5]Nb[5,5]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]As[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]As[5]C[6a])(As[5]Nb[5,5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]As[5]C[6a])(As[5]Nb[5,5]CC)(C[6a]C[6a]H){2|As<4>,4|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]As[5])(C[6a]C[6a]H)(H){1|As<4>,1|Nb<8>,1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]As[5]C[6a])(As[5]Nb[5,5]CC)(C[6a]C[6a]H){2|As<4>,4|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	119.8017	0.618	3	119.8017	0.382	3	119.9149	0.715	9	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[3x5]O[5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,5]N[3x5]O[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[3x5]O[5]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<4>,2|O<2>}	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,5]N[3x5]O[5]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	117.9180	0.000	1	117.9180	0.000	1	117.8689	0.146	10	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[3x5]O[5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,5]N[3x5]O[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[3x5]O[5]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<4>,2|O<2>}	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,5]N[3x5]O[5]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	118.3630	0.000	1	118.3630	0.000	1	117.8689	0.146	10	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[3x5]O[5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,5]N[3x5]S[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[3x5]O[5]O)(C[6a]C[6a]H){1|C<4>,1|S<2>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<4>,2|O<2>}	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,5]N[3x5]S[5]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	117.9155	0.244	2	117.9155	0.060	2	117.8689	0.146	10	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[5,5]O[5]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,5]N[5,5]N[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[5,5]O[5]2)(C[6a]C[6a]H){1|C<3>,2|N<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<4>,2|O<2>}	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,5]N[5,5]N[5]C)(C[6a]C[6a]H){1|N<3>,2|O<2>,3|C<3>,3|H<1>}	118.1775	0.340	2	118.1775	0.116	2	117.8689	0.146	10	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[5,5]O[5]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,5]N[5,5]N[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[5,5]O[5]2)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<4>,2|O<2>}	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,5]N[5,5]N[5]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	117.4453	0.282	3	117.5555	0.102	4	117.8689	0.146	10	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[5,5]O[5]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,5]N[5,5]N[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[5,5]O[5]2)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<4>,2|O<2>}	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,5]N[5,5]N[5]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	117.8860	0.000	1	117.5555	0.102	4	117.8689	0.146	10	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]Si[5])(B[5,5]N[5]O[5]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]B[5,5]C[6a])(Si[5]O[5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]Si[5])(B[5,5]N[5]O[5]2)(C[6a]C[6a]H){1|C<3>,2|H<1>,6|C<4>}	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|H<1>,1|N<4>,2|O<2>}	C[5,6a](C[5,6a]B[5,5]C[6a])(Si[5]O[5]CC)(C[6a]C[6a]H){1|C<3>,1|N<4>,1|O<2>,2|H<1>}	118.4905	0.138	2	118.4905	0.019	2	118.4905	0.019	2	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]B[5])(B[5]C[6a]2Cl[5])(C[6a]C[6a]F)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]B[5])(B[5]C[6a]2Cl[5])(C[6a]C[6a]F)	C[5,6a](C[5,6a]C[6a]B[5])(B[5]C[6a]2Cl[5])(C[6a]C[6a]F){2|F<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(F){1|Cl<2>,1|B<4>,1|F<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(B[5]C[6a]2Cl[5])(C[6a]C[6a]F){2|F<1>,7|C<3>}	117.9445	0.395	2	117.9445	0.156	2	118.1245	0.248	4	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]B[5])(B[5]C[6a]2O[5])(C[6a]C[6a]F)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]B[5])(B[5]C[6a]2O[5])(C[6a]C[6a]F)	C[5,6a](C[5,6a]C[6a]B[5])(B[5]C[6a]2O[5])(C[6a]C[6a]F){1|C<4>,2|F<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(F){1|B<4>,1|F<1>,1|O<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(B[5]C[6a]2O[5])(C[6a]C[6a]F){1|C<4>,2|F<1>,7|C<3>}	118.3045	0.677	2	118.3045	0.458	2	118.1245	0.248	4	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]O[5]F)(C[6a]C[6a]F)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]B[5])(P[5]C[6a]2O[5])(C[6a]C[6a]F)	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]O[5]F)(C[6a]C[6a]F){2|F<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(F){1|O<2>,1|P<4>,2|C<3>,2|F<1>}	C[5,6a](C[5,6a]C[6a]B[5])(P[5]C[6a]2O[5])(C[6a]C[6a]F){3|F<1>,6|C<3>}	116.6320	0.000	1	116.6320	0.000	1	116.6320	0.000	1	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]B[5])(B[5]Cl[5]Cl2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(B[5]Cl[5]ClO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]B[5])(B[5]Cl[5]Cl2)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|Cl<2>,2|Cl<1>,1|B<4>,1|C<3>,1|H<1>}	C[5,6a](C[5,6a]C[6a]B[5])(B[5]Cl[5]ClO)(C[6a]C[6a]H){2|Cl<1>,1|C<3>,2|H<1>}	118.8440	0.000	1	118.8440	0.000	1	119.0900	0.337	4	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]B[5])(B[5]Cl[5]ClO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(B[5]Cl[5]Cl2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]B[5])(B[5]Cl[5]ClO)(C[6a]C[6a]H){2|Cl<1>,1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|Cl<2>,1|B<4>,1|C<3>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]B[5])(B[5]Cl[5]Cl2)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|O<2>,2|H<1>}	118.5020	0.000	1	118.5020	0.000	1	119.0900	0.337	4	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]B[5])(B[5]O[5]Cl2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(B[5]O[5]Cl2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]B[5])(B[5]O[5]Cl2)(C[6a]C[6a]H){2|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){2|Cl<1>,1|B<4>,1|C<3>,1|H<1>,1|O<3>}	C[5,6a](C[5,6a]C[6a]B[5])(B[5]O[5]Cl2)(C[6a]C[6a]H){2|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	119.5070	0.508	2	119.5070	0.258	2	119.0900	0.337	4	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]Si[5])(B[5]C[6a]2O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(Si[5]O[5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]Si[5])(B[5]C[6a]2O[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(Si[5]O[5]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	116.7380	0.068	2	116.7380	0.005	2	116.7380	0.005	2	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[3,5]C[3,5]2H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[3,5]C[3,5]2H)(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,4|H<1>}	120.0230	0.000	1	119.6227	1.880	4	119.7262	1.154	6	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[3,5]C[3,5]2H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[3,5]C[3,5]2H)(C[6a]C[6a]H){3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,4|H<1>}	119.4893	1.647	3	119.6227	1.880	4	119.7262	1.154	6	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,8|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	119.9330	0.023	2	119.9330	0.001	2	119.7262	1.154	6	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[4,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]S[5])(C[4,5]C[4,5]2H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(S[5]C[4,5]OO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]S[5])(C[4,5]C[4,5]2H)(C[6a]C[6a]H){1|C<3>,1|S<4>,2|H<1>,2|O<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[4,5]C[6a])(S[5]C[4,5]OO)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	118.5810	0.187	6	118.5810	0.035	6	118.5810	0.035	6	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,5]N[3x5]O[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[3x5]O[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,5]N[3x5]O[5]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<4>,1|O<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[3x5]O[5]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	122.6480	0.000	1	122.6480	0.000	1	122.2255	0.055	10	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,5]N[3x5]O[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[3x5]O[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,5]N[3x5]O[5]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|N<4>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[3x5]O[5]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	122.1550	0.000	1	122.1550	0.000	1	122.2255	0.055	10	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,5]N[3x5]S[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[3x5]O[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,5]N[3x5]S[5]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|N<4>,1|S<2>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[3x5]O[5]O)(C[6a]C[6a]H){1|C<4>,1|S<2>,2|C<3>,4|H<1>}	122.2855	0.319	2	122.2855	0.102	2	122.2255	0.055	10	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,5]N[5,5]N[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[5,5]O[5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,5]N[5,5]N[5]C)(C[6a]C[6a]H){1|N<3>,2|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|N<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[5,5]O[5]2)(C[6a]C[6a]H){1|C<3>,2|N<3>,3|C<4>,3|H<1>}	121.9700	0.174	2	121.9700	0.030	2	122.2255	0.055	10	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,5]N[5,5]N[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[5,5]O[5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,5]N[5,5]N[5]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|N<3>,1|N<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[5,5]O[5]2)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	122.2737	0.117	3	122.2353	0.015	4	122.2255	0.055	10	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,5]N[5,5]N[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[5,5]O[5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,5]N[5,5]N[5]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|N<3>,1|N<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[5,5]O[5]2)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	122.1200	0.000	1	122.2353	0.015	4	122.2255	0.055	10	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]N[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]N[5]H)(C[6a]C[6a]H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	120.8840	0.000	1	120.4045	0.460	2	120.8388	0.461	4	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]N[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]N[5]H)(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	119.9250	0.000	1	120.4045	0.460	2	120.8388	0.461	4	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]N[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]N[5]H)(C[6a]C[6a]H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	120.9830	0.000	1	121.2730	0.168	2	120.8388	0.461	4	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]N[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]N[5]H)(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	121.5630	0.000	1	121.2730	0.168	2	120.8388	0.461	4	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5,5]2O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5,5]2O)(C[6a]C[6a]H){1|C<3>,4|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	119.5500	0.000	1	120.0840	0.570	2	120.0840	0.570	2	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5,5]2O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5,5]2O)(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	120.6180	0.000	1	120.0840	0.570	2	120.0840	0.570	2	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]Br)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(Br)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]O)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]Br){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(Br){2|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]O)(C[6a]C[6a]O){1|Br<1>,2|C<3>,3|C<4>,4|H<1>}	119.3430	0.000	1	119.3430	0.000	1	119.3430	0.000	1	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H){1|C<3>,1|F<1>,1|N<3>,2|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]F)(H){1|C<3>,1|F<1>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]C){1|C<3>,1|C<4>,1|F<1>,1|N<3>,6|H<1>}	121.2880	0.000	1	121.2880	0.000	1	121.1032	0.274	13	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H){1|Br<1>,3|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,6|H<1>}	120.8180	0.000	1	120.8545	0.001	4	121.1032	0.274	13	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H){1|Br<1>,3|C<3>,6|H<1>}	120.8580	0.000	1	120.8545	0.001	4	121.1032	0.274	13	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,5|H<1>}	120.8710	0.033	2	120.8545	0.001	4	121.1032	0.274	13	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|N<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|N<3>,6|H<1>}	121.2485	1.255	2	121.2485	1.575	2	121.1032	0.274	13	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]O[5,6]C[6]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]O[5,6]C[6]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]O[5,6]C[6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]O[5,6]C[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	120.6850	0.000	1	120.6850	0.000	1	121.1032	0.274	13	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]O[5,6]C[6]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]O[5,6]C[6]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]O[5,6]C[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]O[5,6]C[6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	120.7680	0.000	1	120.7680	0.000	1	121.1032	0.274	13	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]O[5,6]C[6]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]O[5,6]C[6]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]O[5,6]C[6]H)(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]O[5,6]C[6]H)(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	121.7955	0.202	2	121.4215	0.230	4	121.1032	0.274	13	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]O[5,6]C[6]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]O[5,6]C[6]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]O[5,6]C[6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]O[5,6]C[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	120.8340	0.000	1	121.4215	0.230	4	121.1032	0.274	13	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]O[5,6]C[6]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]O[5,6]C[6]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]O[5,6]C[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]O[5,6]C[6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	121.2610	0.000	1	121.4215	0.230	4	121.1032	0.274	13	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(P[5]C[6a]C[5]B)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|B<4>,2|O<2>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(P[5]C[6a]C[5]B)(C[6a]C[6a]H){4|H<1>,5|C<3>}	120.1830	0.000	1	120.1830	0.000	1	120.1830	0.000	1	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[3,5]C[3,5]2H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[3,5]C[3,5]2H)(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	120.4710	0.000	1	121.9565	3.382	4	121.5550	2.429	6	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[3,5]C[3,5]2H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[3,5]C[3,5]2H)(C[6a]C[6a]H){3|C<3>,5|H<1>}	122.4517	1.898	3	121.9565	3.382	4	121.5550	2.429	6	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,8|H<1>}	120.7520	0.253	2	120.7520	0.064	2	121.5550	2.429	6	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5,6]C[5,6]3)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5,6]C[5,6]3)(C[6a]C[6a]O){3|C<3>,3|C<4>,6|H<1>}	121.7300	0.000	1	121.7300	0.000	1	121.7300	0.000	1	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5,5]2O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5,5]2O)(C[6a]C[6a]H){1|C<3>,4|C<4>,5|H<1>}	121.1260	0.000	1	120.5090	0.761	2	120.5090	0.761	2	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5,5]2O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5,5]2O)(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	119.8920	0.000	1	120.5090	0.761	2	120.5090	0.761	2	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]B[5]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]B[5]C[5]H)(C[6a]C[6a]H){2|C<3>,2|O<2>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|B<3>,3|C<3>,5|H<1>}	120.1490	0.147	2	120.1490	0.022	2	121.0580	1.156	196	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]HN)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]HN)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]HN)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]HN)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	120.6230	1.431	2	120.6230	2.048	2	121.0580	1.156	196	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){3|C<3>,4|H<1>}	120.6405	0.110	2	120.6405	0.012	2	121.0580	1.156	196	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HO)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	120.0330	0.000	1	120.2067	0.249	3	121.0580	1.156	196	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HO)(C[6a]C[6a]H){1|N<3>,2|C<3>,4|H<1>}	120.2935	0.672	2	120.2067	0.249	3	121.0580	1.156	196	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HO)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	121.5150	0.000	1	121.0747	0.178	3	121.0580	1.156	196	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HO)(C[6a]C[6a]H){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	120.8545	0.255	2	121.0747	0.178	3	121.0580	1.156	196	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	120.4640	0.000	1	120.4640	0.000	1	121.0580	1.156	196	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	120.4933	0.352	6	120.5263	0.095	8	121.0580	1.156	196	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	120.6250	0.137	2	120.5263	0.095	8	121.0580	1.156	196	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<3>,3|H<1>}	121.0800	0.000	1	121.0800	0.000	1	121.0580	1.156	196	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]S)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]N[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|N<2>,1|S<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]S)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]N[6a]H){3|C<3>,3|H<1>}	119.7680	0.000	1	119.7680	0.000	1	121.0580	1.156	196	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H){1|O<2>,1|S<4>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,3|C<3>,3|H<1>}	120.0800	0.000	1	120.0800	0.000	1	121.0580	1.156	196	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]MoC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]MoH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]MoC)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Mo<10>,1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]MoH)(C[6a]C[6a]H){2|C<3>,3|H<1>}	120.0820	0.000	1	120.0820	0.000	1	121.0580	1.156	196	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]MoH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]MoC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]MoH)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Mo<10>,1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]MoC)(C[6a]C[6a]H){1|C<3>,4|H<1>}	121.1860	0.000	1	121.1860	0.000	1	121.0580	1.156	196	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]MoH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]MoH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]MoH)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Mo<10>,1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]MoH)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	120.4635	0.107	2	120.5797	0.086	12	121.0580	1.156	196	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]MoH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]MoH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]MoH)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Mo<10>,1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]MoH)(C[6a]C[6a]H){1|C<3>,4|H<1>}	120.4832	0.451	4	120.5797	0.086	12	121.0580	1.156	196	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]MoH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]MoH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]MoH)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Mo<8>,1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]MoH)(C[6a]C[6a]H){1|C<3>,4|H<1>}	120.6827	0.196	6	120.5797	0.086	12	121.0580	1.156	196	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]NiH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]NiH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]NiH)(C[6a]C[6a]H){1|Ni<4>,1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Ni<4>,1|C<3>,1|C<4>,1|C<5>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]NiH)(C[6a]C[6a]H){1|Ni<4>,1|C<3>,4|H<1>}	119.7255	0.192	2	119.7255	0.037	2	121.0580	1.156	196	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]PdH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]PdH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]PdH)(C[6a]C[6a]H){1|Pd<5>,1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Pd<5>,1|C<3>,1|C<4>,1|C<5>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]PdH)(C[6a]C[6a]H){1|Pd<5>,1|C<3>,4|H<1>}	119.6640	0.966	2	119.6640	0.933	2	121.0580	1.156	196	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){4|H<1>,5|C<3>}	120.4140	0.000	1	120.4140	0.000	1	121.0580	1.156	196	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	119.9170	0.000	1	119.9170	0.000	1	121.0580	1.156	196	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C){1|C<4>,4|C<3>,4|H<1>}	121.4200	0.000	1	121.4200	0.000	1	121.0580	1.156	196	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){2|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	120.3005	0.162	2	120.3005	0.026	2	121.0580	1.156	196	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){4|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H){1|C<4>,4|H<1>,6|C<3>}	120.1060	0.000	1	120.1060	0.000	1	121.0580	1.156	196	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){4|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|F<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|F<1>,3|H<1>,4|C<3>}	120.5620	0.000	1	120.2050	0.171	14	121.0580	1.156	196	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){4|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	120.5066	0.338	5	120.2050	0.171	14	121.0580	1.156	196	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){4|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	119.9983	0.162	3	120.2050	0.171	14	121.0580	1.156	196	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){4|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	119.9560	0.415	5	120.2050	0.171	14	121.0580	1.156	196	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<2>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	121.0910	0.220	4	121.0910	0.049	4	121.0580	1.156	196	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]C){4|C<3>,5|H<1>}	121.5190	0.000	1	121.5190	0.000	1	121.0580	1.156	196	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	120.2720	0.075	2	120.6754	0.106	7	121.0580	1.156	196	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){4|C<3>,5|H<1>}	120.8368	0.210	5	120.6754	0.106	7	121.0580	1.156	196	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|F<1>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){4|C<3>,5|H<1>}	120.8420	0.000	1	120.8420	0.000	1	121.0580	1.156	196	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]B[5]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|B<3>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]B[5]C[5]H)(C[6a]C[6a]H){2|C<3>,2|O<2>,5|H<1>}	120.7290	0.232	2	120.7290	0.054	2	121.0580	1.156	196	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){4|C<3>,5|H<1>}	120.6428	0.188	5	120.6428	0.035	5	121.0580	1.156	196	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H){1|O<2>,1|S<4>,2|C<3>,2|C<4>,4|H<1>}	121.1830	0.000	1	121.1830	0.000	1	121.0580	1.156	196	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<2>,4|C<3>,4|H<1>}	120.5325	0.138	4	120.9533	0.313	7	121.0580	1.156	196	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){4|C<3>,5|H<1>}	121.5143	0.291	3	120.9533	0.313	7	121.0580	1.156	196	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,6|C<3>}	121.0030	0.000	1	121.0030	0.000	1	121.0580	1.156	196	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H){1|S<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H){1|S<4>,3|H<1>,4|C<3>}	120.7340	0.716	2	120.7340	0.512	2	121.0580	1.156	196	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H){1|H<1>,2|O<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,4|C<3>}	121.7940	0.000	1	121.7940	0.000	1	121.0580	1.156	196	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]Si[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]Si[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]Si[5]H)(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]Si[5]H)(C[6a]C[6a]H){3|H<1>,6|C<3>}	119.7165	0.095	2	119.7165	0.009	2	121.0580	1.156	196	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5,5]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5,5]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	120.8240	0.058	2	120.8240	0.003	2	121.0580	1.156	196	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]DyN)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]DyN)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]DyN)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Dy<18>,1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]DyN)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|H<1>}	122.3035	2.072	8	121.5393	1.216	38	121.0580	1.156	196	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]DyN)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]DyN)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]DyN)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Dy<24>,1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]DyN)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|H<1>}	121.3355	0.558	30	121.5393	1.216	38	121.0580	1.156	196	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]GdN)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]GdN)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]GdN)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Gd<18>,1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]GdN)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|H<1>}	122.2349	1.555	16	122.2349	2.417	16	121.0580	1.156	196	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]TbN)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]TbN)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]TbN)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Tb<18>,1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]TbN)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|H<1>}	122.3533	1.790	8	121.4748	1.253	40	121.0580	1.156	196	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]TbN)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]TbN)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]TbN)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Tb<24>,1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]TbN)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|H<1>}	121.2551	0.777	32	121.4748	1.253	40	121.0580	1.156	196	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]Se[5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]Se[5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]Se[5]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Se<3>,1|C<3>,1|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]Se[5]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,4|H<1>}	120.0493	0.223	4	120.0493	0.050	4	121.0580	1.156	196	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5,6]AlH)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CH)(C[6a]C[6a]H){1|Al<5>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<4>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5,6]AlH)(C[6a]C[6a]C){2|C<3>,2|C<4>,3|H<1>}	120.0950	0.000	1	120.0950	0.000	1	120.0950	0.000	1	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[5]LuS)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[5]LuC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[5]LuS)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Lu<9>,1|C<3>,1|C<4>,1|H<1>,1|P<4>,1|S<3>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[5]LuC)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|S<3>}	124.0740	0.000	1	124.0740	0.000	1	124.0740	0.000	1	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]Si[5])(C[5]B[5]Si2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[6a]B[5]H)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[6a]Si[5])(C[5]B[5]Si2)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){3|Si<4>,1|B<3>,1|C<3>,1|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[6a]B[5]H)(C[6a]C[6a]C){2|Si<4>,1|O<2>,2|H<1>,3|C<3>}	118.2510	0.000	1	118.2510	0.000	1	119.5115	3.178	2	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]Si[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]O[5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]Si[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]O[5]CC)(C[6a]C[6a]H){2|C<3>,3|H<1>}	120.7720	0.000	1	120.7720	0.000	1	119.5115	3.178	2	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]B[5])(P[5]C[6a]2O[5])(C[6a]C[6a]F)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]O[5]F)(C[6a]C[6a]F)	C[5,6a](C[5,6a]C[6a]B[5])(P[5]C[6a]2O[5])(C[6a]C[6a]F){3|F<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]F)(F){1|B<4>,1|F<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]O[5]F)(C[6a]C[6a]F){2|F<1>,5|C<3>}	121.5850	0.000	1	121.5850	0.000	1	121.5850	0.000	1	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(P[5]C[6a]C[5]B)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(P[5]C[6a]C[5]B)(C[6a]C[6a]H){4|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|B<4>,2|O<2>,4|C<3>,4|H<1>}	120.0370	0.000	1	120.0370	0.000	1	120.0370	0.000	1	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[5]LuC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[5]LuS)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[5]LuC)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|S<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|Lu<9>,1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[5]LuS)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<3>,2|H<1>}	116.5760	0.000	1	116.5760	0.000	1	116.5760	0.000	1	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(P[5]C[6a]2C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(P[5]C[6a]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(P[5]C[6a]2C[5])(C[6a]C[6a]H){4|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(P[5]C[6a]2C[5])(C[6a]C[6a]H){4|H<1>,7|C<3>}	120.2070	0.164	2	120.2070	0.027	2	119.9117	0.757	43	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(P[5]C[6a]2Ga[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(P[5]C[6a]2Ga[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(P[5]C[6a]2Ga[5])(C[6a]C[6a]H){2|Cl<1>,2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|Ga<4>,1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(P[5]C[6a]2Ga[5])(C[6a]C[6a]H){2|Cl<1>,2|H<1>,7|C<3>}	119.5885	0.298	2	119.5885	0.089	2	119.9117	0.757	43	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(P[5]C[6a]2S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(P[5]C[6a]2S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(P[5]C[6a]2S[5])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(P[5]C[6a]2S[5])(C[6a]C[6a]H){2|H<1>,7|C<3>}	121.1620	2.569	4	121.1620	6.599	4	119.9117	0.757	43	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(P[5]C[6a]C[5]S)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(P[5]C[6a]C[5]S)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(P[5]C[6a]C[5]S)(C[6a]C[6a]H){1|S<1>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,1|S<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(P[5]C[6a]C[5]S)(C[6a]C[6a]H){1|S<1>,4|C<3>,4|H<1>}	120.1875	0.162	2	120.1875	0.026	2	119.9117	0.757	43	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(P[5]Ga[5,5]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(P[5]Ga[5,5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(P[5]Ga[5,5]CC)(C[6a]C[6a]H){2|Br<1>,1|C<3>,2|C<4>,2|H<1>,2|P<4>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|Ga<6>,1|C<3>,1|H<1>,1|P<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]P[5])(P[5]Ga[5,5]CC)(C[6a]C[6a]H){2|Br<1>,1|C<3>,2|C<4>,2|H<1>,2|P<4>}	119.4635	0.110	2	119.4460	0.017	4	119.9117	0.757	43	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(P[5]Ga[5,5]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(P[5]Ga[5,5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(P[5]Ga[5,5]CC)(C[6a]C[6a]H){2|Cl<1>,1|C<3>,2|C<4>,2|H<1>,2|P<4>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|Ga<6>,1|C<3>,1|H<1>,1|P<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]P[5])(P[5]Ga[5,5]CC)(C[6a]C[6a]H){2|Cl<1>,1|C<3>,2|C<4>,2|H<1>,2|P<4>}	119.4285	0.194	2	119.4460	0.017	4	119.9117	0.757	43	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(P[5]Ge[5]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(P[5]Ge[5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(P[5]Ge[5]CC)(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|Ge<3>,1|C<3>,1|H<1>,1|P<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]P[5])(P[5]Ge[5]CC)(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	120.0255	0.019	2	119.8151	0.083	20	119.9117	0.757	43	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(P[5]Ge[5]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(P[5]Ge[5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(P[5]Ge[5]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>,4|F<1>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|Ge<6>,1|C<3>,1|H<1>,1|P<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]P[5])(P[5]Ge[5]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>,4|F<1>}	119.4815	0.122	2	119.8151	0.083	20	119.9117	0.757	43	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(P[5]Ge[5]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(P[5]Ge[5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(P[5]Ge[5]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|Ge<2>,1|C<3>,1|H<1>,1|P<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]P[5])(P[5]Ge[5]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	119.8305	0.287	16	119.8151	0.083	20	119.9117	0.757	43	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(P[5]In[5]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(P[5]In[5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(P[5]In[5]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>,2|I<1>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|In<4>,1|C<3>,1|H<1>,1|P<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]P[5])(P[5]In[5]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>,2|I<1>}	118.9390	0.000	1	119.8250	1.570	2	119.9117	0.757	43	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(P[5]In[5]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(P[5]In[5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(P[5]In[5]CC)(C[6a]C[6a]H){2|Br<1>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|In<4>,1|C<3>,1|H<1>,1|P<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]P[5])(P[5]In[5]CC)(C[6a]C[6a]H){2|Br<1>,1|C<3>,2|C<4>,2|H<1>}	120.7110	0.000	1	119.8250	1.570	2	119.9117	0.757	43	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(P[5]Nb[5,5]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(P[5]Nb[5,5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(P[5]Nb[5,5]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>,2|P<4>,4|F<1>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|Nb<8>,1|C<3>,1|H<1>,1|P<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]P[5])(P[5]Nb[5,5]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>,2|P<4>,4|F<1>}	119.6508	0.383	4	119.6718	0.112	5	119.9117	0.757	43	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(P[5]Nb[5,5]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(P[5]Nb[5,5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(P[5]Nb[5,5]CC)(C[6a]C[6a]H){4|Cl<1>,1|C<3>,2|C<4>,2|H<1>,2|P<4>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|Nb<8>,1|C<3>,1|H<1>,1|P<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]P[5])(P[5]Nb[5,5]CC)(C[6a]C[6a]H){4|Cl<1>,1|C<3>,2|C<4>,2|H<1>,2|P<4>}	119.7560	0.000	1	119.6718	0.112	5	119.9117	0.757	43	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(P[5]Si[5]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(P[5]Si[5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(P[5]Si[5]CC)(C[6a]C[6a]H){4|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|Si<6>,1|C<3>,1|H<1>,1|P<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]P[5])(P[5]Si[5]CC)(C[6a]C[6a]H){4|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	119.7480	0.030	2	119.7480	0.001	2	119.9117	0.757	43	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(P[5]C[5,6]C[6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]P[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(P[5]C[5,6]C[6a]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a,6a]H)(H){1|O<1>,2|C<4>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]P[5]){1|C<4>,1|O<1>,2|H<1>,7|C<3>}	121.5810	0.164	2	121.5810	0.027	2	121.5810	0.027	2	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[4,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(S[5]C[4,5]OO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[4,5]C[4,5]2H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(S[5]C[4,5]OO)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[4,5]C[4,5]2H)(C[6a]C[6a]H){1|C<3>,1|S<4>,2|H<1>,2|O<1>,3|C<4>}	123.1823	0.296	6	123.1823	0.087	6	123.1823	0.087	6	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]B[5,5]C[6a])(Si[5]O[5]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(B[5,5]N[5]O[5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]B[5,5]C[6a])(Si[5]O[5]CC)(C[6a]C[6a]H){1|C<3>,1|N<4>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]Si[5])(B[5,5]N[5]O[5]2)(C[6a]C[6a]H){1|C<3>,2|H<1>,6|C<4>}	119.9490	0.262	2	119.9490	0.068	2	119.9490	0.068	2	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]B[5])(Si[5]O[5]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(B[5]C[6a]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]B[5])(Si[5]O[5]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]Si[5])(B[5]C[6a]2O[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	121.3230	0.209	2	121.3230	0.044	2	121.3230	0.044	2	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]O[5]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]O[5]CC)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	118.7700	0.000	1	118.7700	0.000	1	118.7700	0.000	1	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5,5]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5,5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5,5]CC)(C[6a]C[6a]H){1|Si<2>,1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5,5]CC)(C[6a]C[6a]H){1|Si<2>,1|C<3>,2|H<1>,3|C<4>}	118.9592	0.568	4	118.9592	0.322	4	118.9472	0.243	36	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5]CC)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]2)(H){1|Si<4>,1|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	119.6280	0.000	1	119.6280	0.000	1	118.9472	0.243	36	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5]CC)(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]C)(H){1|Si<4>,1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5]CC)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	119.4125	0.067	2	119.4183	0.002	3	118.9472	0.243	36	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5]CC)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]C)(H){1|Si<4>,1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	119.4300	0.000	1	119.4183	0.002	3	118.9472	0.243	36	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|Si<4>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5]CC)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	118.9265	0.729	2	118.9494	0.174	5	118.9472	0.243	36	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){2|Si<4>,1|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5]CC)(C[6a]C[6a]H){1|Si<4>,1|C<3>,2|C<4>,3|H<1>}	118.6530	0.000	1	118.9494	0.174	5	118.9472	0.243	36	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5]CC)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|Si<4>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5]CC)(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	119.1205	0.129	2	118.9494	0.174	5	118.9472	0.243	36	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]Si)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5]CC)(C[6a]C[6a]H){1|Si<4>,1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]Si)(H){1|Si<4>,1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	119.0050	0.000	1	119.0050	0.000	1	118.9472	0.243	36	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]C)(H){1|Si<4>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	119.1020	0.273	3	119.2872	0.119	6	118.9472	0.243	36	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]C)(H){1|Si<4>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	119.8680	0.000	1	119.2872	0.119	6	118.9472	0.243	36	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]C)(H){1|Si<4>,1|C<3>,1|O<2>,1|S<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	119.2745	0.063	2	119.2872	0.119	6	118.9472	0.243	36	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<2>,1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	119.3540	0.140	3	119.2735	0.039	4	118.9472	0.243	36	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|Si<4>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	119.0320	0.000	1	119.2735	0.039	4	118.9472	0.243	36	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]S)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]S)(H){1|Si<4>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	118.8670	0.171	2	118.8670	0.029	2	118.9472	0.243	36	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]Si[5]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]Si[5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]Si[5]CC)(C[6a]C[6a]H){1|C<3>,1|H<1>,5|C<4>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]C)(H){2|Si<4>,1|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]Si[5]CC)(C[6a]C[6a]H){1|C<3>,1|H<1>,5|C<4>}	118.2712	0.382	4	118.3407	0.078	8	118.9472	0.243	36	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]Si[5]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]Si[5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]Si[5]CC)(C[6a]C[6a]H){1|C<3>,1|H<1>,5|C<4>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]C)(H){2|Si<4>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]Si[5]CC)(C[6a]C[6a]H){1|H<1>,2|C<3>,4|C<4>}	118.4825	0.077	2	118.3407	0.078	8	118.9472	0.243	36	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]Si[5]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]Si[5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]Si[5]CC)(C[6a]C[6a]H){1|H<1>,2|C<3>,4|C<4>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]C)(H){2|Si<4>,1|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]Si[5]CC)(C[6a]C[6a]H){1|C<3>,1|H<1>,5|C<4>}	118.3380	0.204	2	118.3407	0.078	8	118.9472	0.243	36	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]Si[5]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]Si[5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]Si[5]CC)(C[6a]C[6a]H){1|Pd<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){2|Si<4>,1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]Si[5]HH)(C[6a]C[6a]H){1|Pd<4>,2|C<3>,2|C<4>,2|H<1>}	118.9900	0.000	1	118.9900	0.000	1	118.9472	0.243	36	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:4:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]Si[5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]Si[5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]Si[5]HH)(C[6a]C[6a]H){1|Pd<4>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){2|Si<4>,1|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]Si[5]CC)(C[6a]C[6a]H){1|Pd<4>,2|C<3>,4|H<1>}	118.3620	0.000	1	118.3620	0.000	1	118.9472	0.243	36	120.4910	2.043	379	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:5:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:As[5]-5:C[6a]-3:	C[5,6a](C[5,6a]As[5]C[6a])(C[5]C[6a]O[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(As[5]C[6a]3O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]As[5]C[6a])(C[5]C[6a]O[5]C)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|As<5>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(As[5]C[6a]3O[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,8|C<3>}	118.5390	0.000	1	118.5390	0.000	1	118.5390	0.000	1	121.0310	2.908	6	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:5:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-5:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]GdN)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]GdNN)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]GdN)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Gd<18>,1|C<3>,1|C<5>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]GdNN)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|H<1>}	122.9400	0.259	2	122.9400	0.067	2	122.9400	0.067	2	121.0310	2.908	6	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:5:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-5:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]O[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]3O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]O[5]C)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,1|P<5>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]3O[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,8|C<3>}	120.3010	0.000	1	120.3010	0.000	1	120.5890	0.193	3	121.0310	2.908	6	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:5:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-5:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]3O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,1|P<5>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]3O[5])(C[6a]C[6a]H){3|H<1>,8|C<3>}	120.7330	0.512	2	120.7330	0.262	2	120.5890	0.193	3	121.0310	2.908	6	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(N[6a]C[6a]){2|C<3>,2|C<4>,6|H<1>}	117.6470	0.000	1	117.6470	0.000	1	117.6470	0.000	1	117.6470	0.000	1	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5]N[5,5]OO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]O[5]H)(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5]N[5,5]OO)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<4>,2|O<2>}	C[5,6a](C[5,5]N[5,5]O[5]H)(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	118.2600	0.000	2	118.2600	0.000	2	118.2600	0.000	2	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[3,5]C[3,5]O[3]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[3,5]N[5]O[5])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[3,5]C[3,5]O[3]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[3,5]N[5]O[5])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	120.5630	0.000	1	120.5630	0.000	1	120.5630	0.000	1	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]H){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,3|H<1>,4|C<3>}	121.3910	0.000	1	121.2845	0.023	2	120.5326	0.866	5	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]H){1|C<4>,2|C<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,3|H<1>,4|C<3>}	121.1780	0.000	1	121.2845	0.023	2	120.5326	0.866	5	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]O)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|O<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,5]C[5,6a]C[3x5]O)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	119.1080	0.000	1	119.1080	0.000	1	120.5326	0.866	5	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]O[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]O[5]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|O<2>,3|H<1>,5|C<3>}	120.8660	0.000	1	120.8660	0.000	1	120.5326	0.866	5	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]O[5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]O)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]O[5]O)(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5,6a](C[5,5]C[5,6a]C[3x5]O)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	120.1200	0.000	1	120.1200	0.000	1	120.5326	0.866	5	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5,6]C[5,5,6]C[6]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5,6]C[5,5,6]C[6]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	122.6090	0.000	1	122.6090	0.000	1	121.4927	0.995	6	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5,6]C[5,5,6]C[6]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]O)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5,6]C[5,5,6]C[6]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]O)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,5|H<1>}	122.9280	0.000	1	122.9280	0.000	1	121.4927	0.995	6	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5,6]C[5,5,6]C[6]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5,6]C[5,5,6]C[6]H)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	120.8997	0.095	3	120.8997	0.009	3	121.4927	0.995	6	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5,6]O[5,6]C[6]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,6]O[5,6]C[5])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5,6]O[5,6]C[6]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,5,6]C[5,6]O[5,6]C[5])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|C<3>,4|C<4>,4|H<1>}	120.7200	0.000	1	120.7200	0.000	1	121.4927	0.995	6	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,7|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	120.5840	0.000	1	120.5840	0.000	1	120.8340	0.125	2	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]O[5,6]C[6]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6]O[5,6]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]O[5,6]C[6]H)(C[6a]C[6a]H){3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[6,6]O[5,6]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	121.0840	0.000	1	121.0840	0.000	1	120.8340	0.125	2	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]O)(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]O)(C[6a]C[5,6a]H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){2|C<3>,2|O<2>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){3|H<1>,3|O<2>,4|C<3>}	122.7890	0.000	1	122.7890	0.000	1	122.7890	0.000	1	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]Br)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]Br){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Br){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|Br<1>,3|C<3>,3|C<4>,5|H<1>}	120.0260	0.881	2	120.0260	0.776	2	120.0260	0.776	2	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	B[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5]N[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](B[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5]N[5,5]HH)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|N<4>,3|H<1>}	C[5,6a](B[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	122.2990	0.000	1	122.4880	0.071	2	122.4880	0.071	2	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	B[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5]N[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](B[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5]N[5,5]HH)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|N<4>,3|H<1>}	C[5,6a](B[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,4|C<4>,5|H<1>}	122.6770	0.000	1	122.4880	0.071	2	122.4880	0.071	2	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	B[5,5a]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]B[5,5a]C[6a])(C[5]N[4,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](B[5,5a]N[4,5]O[5a]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]B[5,5a]C[6a])(C[5]N[4,5]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|N<4>,3|H<1>}	C[5,6a](B[5,5a]N[4,5]O[5a]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	121.9530	0.512	2	121.9530	0.262	2	121.9530	0.262	2	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	B[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]B[5,6,6]C[6a])(C[5]N[5,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](B[5,6,6]N[5,6]N[6,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]B[5,6,6]C[6a])(C[5]N[5,6]HH)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|N<3>,3|H<1>}	C[5,6a](B[5,6,6]N[5,6]N[6,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	122.3220	0.000	1	122.3220	0.000	1	122.3220	0.000	1	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]C[6a]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5]O[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]C[6a]C)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[3,5]C[3,5]O[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,4|C<3>}	119.9990	0.000	1	119.9990	0.000	1	119.8980	0.832	7	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]C[6a]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]C[6a]H)(C[6a]C[6a]H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<2>,3|C<3>,3|H<1>}	120.3460	0.000	1	120.3460	0.000	1	119.8980	0.832	7	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]C[6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]C[6a]O)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Si<4>,1|O<2>,2|C<3>,4|H<1>}	119.8910	0.000	1	120.5125	0.773	2	119.8980	0.832	7	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]C[6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]C[6a]O)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Si<4>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	121.1340	0.000	1	120.5125	0.773	2	119.8980	0.832	7	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5]C[3,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[3,5]C[3,5]C[3,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	118.8535	0.986	2	118.8535	0.973	2	119.8980	0.832	7	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	120.2090	0.000	1	120.2090	0.000	1	119.8980	0.832	7	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3x5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[3x5]C[5,6a]C[5,5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[3x5]C[5,6a]C[5,5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){3|C<3>,3|C<4>,6|H<1>}	121.8985	0.046	2	121.8985	0.002	2	121.8985	0.002	2	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5,5]C[6a])(C[5]C[4,5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5,5]C[4,5,5]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5,5]C[6a])(C[5]C[4,5,5]HH)(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[4,5,5]C[4,5,5]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,4|C<3>,6|H<1>}	120.1895	0.179	2	120.1895	0.032	2	120.1895	0.032	2	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,5]C[4,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[4,5]C[4,5]C[4,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|F<1>,2|C<4>,5|H<1>}	120.0420	0.000	1	119.7995	0.118	2	119.8457	0.065	3	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,5]C[4,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[4,5]C[4,5]C[4,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|F<1>,2|C<3>,5|H<1>}	119.5570	0.000	1	119.7995	0.118	2	119.8457	0.065	3	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	119.9380	0.000	1	119.9380	0.000	1	119.8457	0.065	3	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6,6]C[5,3x6]C[5,6,6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,5,6,6]C[5,3x6]C[5,6,6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,8|H<1>}	119.9440	0.082	2	119.9440	0.007	2	119.9440	0.007	2	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	118.6690	0.000	1	118.6690	0.000	1	120.9109	0.749	19	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,4|C<4>,6|H<1>}	120.2350	0.000	1	120.2350	0.000	1	120.9109	0.749	19	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6a]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]HH)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>,3|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6a]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	121.0143	0.687	4	121.0143	0.472	4	120.9109	0.749	19	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]HO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]HO)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	121.8530	0.000	1	121.8530	0.000	1	120.9109	0.749	19	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){3|C<3>,3|C<4>,6|H<1>}	121.0411	0.704	12	121.0411	0.495	12	120.9109	0.749	19	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]BrH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]BrH)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|O<2>,3|H<1>,4|C<3>}	120.8000	0.000	1	120.8000	0.000	1	120.2846	0.395	102	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<2>,1|C<3>,1|N<3>,2|C<4>,4|H<1>}	121.0230	0.000	2	120.4620	0.179	11	120.2846	0.395	102	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,5|H<1>}	120.6560	0.000	1	120.4620	0.179	11	120.2846	0.395	102	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	120.2120	0.288	7	120.4620	0.179	11	120.2846	0.395	102	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	120.8960	0.000	1	120.4620	0.179	11	120.2846	0.395	102	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	119.6280	0.000	1	119.6280	0.000	1	120.2846	0.395	102	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[5]C)(C[6a]C[6a]H){1|C<3>,4|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|C<3>,3|C<4>,5|H<1>}	120.5980	0.000	1	120.5980	0.000	1	120.2846	0.395	102	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,4|H<1>,5|C<3>}	119.8972	0.374	4	119.8972	0.140	4	120.2846	0.395	102	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,4|H<1>,5|C<3>}	120.2280	0.000	1	120.2280	0.000	1	120.2846	0.395	102	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){2|C<3>,2|C<4>,2|O<2>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,3|O<2>,4|C<3>}	120.4720	0.000	1	120.4720	0.000	1	120.2846	0.395	102	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|N<3>,3|C<3>,6|H<1>}	120.0810	0.000	1	120.0810	0.000	1	120.2846	0.395	102	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,5|H<1>}	120.2360	0.000	1	120.2897	0.075	3	120.2846	0.395	102	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	120.0470	0.000	1	120.2897	0.075	3	120.2846	0.395	102	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,7|H<1>}	120.5860	0.000	1	120.2897	0.075	3	120.2846	0.395	102	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|N<3>,1|O<2>,3|C<3>,7|H<1>}	120.7710	0.000	1	120.7710	0.000	1	120.2846	0.395	102	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5,5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,5]C[5,5]N[5,5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	119.9940	0.000	1	119.6353	0.226	3	120.2846	0.395	102	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5,5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,5]C[5,5]N[5,5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,5|H<1>}	119.4560	0.509	2	119.6353	0.226	3	120.2846	0.395	102	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,5]C[5,5]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	120.4140	0.000	1	120.4140	0.000	1	120.2846	0.395	102	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,5]C[5,5]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	119.7490	0.000	1	119.7490	0.000	1	120.2846	0.395	102	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	120.3748	0.549	4	120.1007	0.443	38	120.2846	0.395	102	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,6|H<1>}	120.3340	0.000	1	120.1007	0.443	38	120.2846	0.395	102	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,5|H<1>}	120.3590	0.000	1	120.1007	0.443	38	120.2846	0.395	102	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	119.8118	0.473	4	120.1007	0.443	38	120.2846	0.395	102	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,5|H<1>}	119.5995	0.165	2	120.1007	0.443	38	120.2846	0.395	102	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,1|S<4>,5|H<1>}	119.6880	0.615	2	120.1007	0.443	38	120.2846	0.395	102	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	120.1980	0.873	2	120.1007	0.443	38	120.2846	0.395	102	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,1|P<4>,6|H<1>}	120.5230	0.000	1	120.1007	0.443	38	120.2846	0.395	102	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	119.8520	1.788	2	120.1007	0.443	38	120.2846	0.395	102	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Ir<4>,1|O<2>,2|C<3>,5|H<1>}	120.0550	0.000	1	120.1007	0.443	38	120.2846	0.395	102	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Ir<6>,1|O<2>,2|C<3>,5|H<1>}	121.0355	0.039	2	120.1007	0.443	38	120.2846	0.395	102	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Ni<4>,1|O<2>,2|C<3>,5|H<1>}	119.8167	0.191	4	120.1007	0.443	38	120.2846	0.395	102	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Ni<5>,1|O<2>,2|C<3>,5|H<1>}	119.5830	0.000	1	120.1007	0.443	38	120.2846	0.395	102	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,1|S<3>,2|C<3>,5|H<1>}	120.2350	0.000	1	120.1007	0.443	38	120.2846	0.395	102	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,6|H<1>}	119.8610	0.000	1	120.1007	0.443	38	120.2846	0.395	102	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,5|H<1>}	120.6020	0.000	1	120.1007	0.443	38	120.2846	0.395	102	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Rh<4>,1|O<2>,2|C<3>,5|H<1>}	120.0480	0.643	2	120.1007	0.443	38	120.2846	0.395	102	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Rh<8>,1|O<2>,2|C<3>,5|H<1>}	119.0490	0.000	1	120.1007	0.443	38	120.2846	0.395	102	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Zn<4>,1|O<2>,2|C<3>,5|H<1>}	121.4450	0.605	2	120.1007	0.443	38	120.2846	0.395	102	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,2|N<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|S<4>,2|C<3>,5|H<1>}	119.8970	0.000	1	120.1007	0.443	38	120.2846	0.395	102	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,4|H<1>}	119.8280	0.000	1	120.1007	0.443	38	120.2846	0.395	102	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,4|C<3>,4|H<1>}	119.7550	0.000	1	120.1007	0.443	38	120.2846	0.395	102	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,2|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,5|H<1>}	119.9045	0.039	2	119.8634	0.029	5	120.2846	0.395	102	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	120.1010	0.000	1	119.8634	0.029	5	120.2846	0.395	102	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	119.7320	0.000	1	119.8634	0.029	5	120.2846	0.395	102	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	119.6750	0.000	1	119.8634	0.029	5	120.2846	0.395	102	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]O[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>,3|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,5]C[5,5]O[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	120.1160	0.597	2	120.1160	0.356	2	120.2846	0.395	102	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	120.1500	0.000	1	120.1970	0.068	3	120.2846	0.395	102	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,5|H<1>}	119.9630	0.000	1	120.1970	0.068	3	120.2846	0.395	102	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,5|H<1>}	120.4780	0.000	1	120.1970	0.068	3	120.2846	0.395	102	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,6|H<1>}	121.4590	0.000	1	121.4590	0.000	1	120.2846	0.395	102	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HN)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]Fe)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HN)(C[6a]C[6a]H){1|Fe<10>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]Fe)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	120.9430	0.000	1	120.9430	0.000	1	120.2846	0.395	102	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HN)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HN)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	122.0210	0.000	1	122.0210	0.000	1	120.2846	0.395	102	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	120.3655	0.217	2	120.4033	0.028	3	120.2846	0.395	102	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|O<2>,3|H<1>,4|C<3>}	120.4790	0.000	1	120.4033	0.028	3	120.2846	0.395	102	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	120.3400	0.311	2	120.2873	0.097	4	120.2846	0.395	102	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,3|O<2>}	119.9310	0.000	1	120.2873	0.097	4	120.2846	0.395	102	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|O<2>,3|C<3>,3|H<1>}	120.5380	0.000	1	120.2873	0.097	4	120.2846	0.395	102	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	121.1270	0.000	1	121.1890	0.008	2	120.2846	0.395	102	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	121.2510	0.000	1	121.1890	0.008	2	120.2846	0.395	102	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	120.6200	0.000	1	120.3967	0.399	4	120.2846	0.395	102	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H){1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,4|H<1>}	120.3223	0.751	3	120.3967	0.399	4	120.2846	0.395	102	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){4|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,4|H<1>,5|C<3>}	119.9130	0.000	1	119.9130	0.000	1	120.2846	0.395	102	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]CH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]CH)(C[6a]C[6a]H){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|C<3>,1|C<4>,1|O<2>,1|S<4>,5|H<1>}	121.0890	0.000	1	121.0890	0.000	1	120.2846	0.395	102	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]CH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]CH)(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|C<3>,1|C<4>,1|O<2>,1|S<4>,5|H<1>}	121.0970	0.000	1	121.0970	0.000	1	120.2846	0.395	102	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]CH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]CH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,1|S<4>,5|H<1>}	121.1540	0.000	1	121.2610	0.264	4	120.2846	0.395	102	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]CH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]CH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<2>,1|S<4>,2|C<3>,3|H<1>}	120.5940	0.000	1	121.2610	0.264	4	120.2846	0.395	102	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]CH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]CH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	121.6480	0.187	2	121.2610	0.264	4	120.2846	0.395	102	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,6|H<1>}	119.9850	0.000	1	119.9850	0.000	1	120.2846	0.395	102	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6]C[5,6,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6,6]C[5,6,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	120.5830	0.000	2	120.5830	0.000	2	120.6130	0.665	8	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6]C[5,6,6]C[3x6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6,6]C[5,6,6]C[3x6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,6|H<1>}	120.5230	0.000	1	120.5230	0.000	1	120.6130	0.665	8	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|C<4>,5|H<1>}	121.0695	0.613	2	121.3470	0.419	3	120.6130	0.665	8	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	121.9020	0.000	1	121.3470	0.419	3	120.6130	0.665	8	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]H){1|C<3>,2|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	119.7930	0.000	1	119.5870	0.085	2	120.6130	0.665	8	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	119.3810	0.000	1	119.5870	0.085	2	120.6130	0.665	8	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6]C[5,6,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	120.4560	0.000	2	120.4560	0.000	2	120.4050	0.707	76	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6,6]HO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6,6]HO)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,6,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	121.7450	0.000	1	121.7450	0.000	1	120.4050	0.707	76	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|C<3>,4|C<4>,5|H<1>}	121.3250	0.000	1	121.3250	0.000	1	120.4050	0.707	76	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	120.1887	0.152	3	120.1887	0.023	3	120.4050	0.707	76	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	120.4260	0.000	1	120.4260	0.000	1	120.4050	0.707	76	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	120.1450	0.000	2	120.1450	0.000	2	120.4050	0.707	76	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[5]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	120.2270	0.021	2	120.2270	0.000	2	120.4050	0.707	76	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6]C)(C[6a]C[6a]H){1|C<3>,4|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|C<3>,3|C<4>,5|H<1>}	120.7690	0.560	4	120.7690	0.314	4	120.4050	0.707	76	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6,6]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6]C[5,6,6]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	120.7450	0.000	2	120.7450	0.000	2	120.4050	0.707	76	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|C<3>,3|C<4>,6|H<1>}	121.0080	0.000	1	121.0080	0.000	1	120.4050	0.707	76	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]Cr)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|Cr<9>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]Cr)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	119.9400	0.000	1	119.9400	0.000	1	120.4050	0.707	76	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,5|H<1>}	120.2820	0.000	1	120.5603	0.388	3	120.4050	0.707	76	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,6|H<1>}	121.2740	0.000	1	120.5603	0.388	3	120.4050	0.707	76	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,5|H<1>}	120.1250	0.000	1	120.5603	0.388	3	120.4050	0.707	76	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,6|H<1>}	119.8160	0.000	1	120.1390	0.209	2	120.4050	0.707	76	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|H<1>,5|C<3>}	120.4620	0.000	1	120.1390	0.209	2	120.4050	0.707	76	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|N<3>,4|C<3>,6|H<1>}	120.7640	0.473	3	120.7640	0.224	3	120.4050	0.707	76	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	120.2680	0.000	1	119.6084	1.396	5	120.4050	0.707	76	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,5|H<1>}	119.4435	1.296	4	119.6084	1.396	5	120.4050	0.707	76	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]N[6,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|Se<2>,1|C<3>,1|N<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6]C[5,6]N[6,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Se<2>,3|C<3>,5|H<1>}	120.2010	0.000	1	120.2010	0.000	1	120.4050	0.707	76	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,5|H<1>}	119.8980	0.000	1	120.4783	0.390	3	120.4050	0.707	76	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,4|C<4>,4|H<1>}	120.7685	0.524	2	120.4783	0.390	3	120.4050	0.707	76	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	120.0170	0.302	3	119.7065	0.660	6	120.4050	0.707	76	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	120.0420	0.000	1	119.7065	0.660	6	120.4050	0.707	76	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	118.0950	0.000	1	119.7065	0.660	6	120.4050	0.707	76	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	120.0510	0.000	1	119.7065	0.660	6	120.4050	0.707	76	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]C[5,6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6]C[6,6a]C[5,6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	120.3245	0.353	2	120.3245	0.125	2	120.4050	0.707	76	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|N<3>,3|C<3>,5|H<1>}	120.3395	0.307	4	120.3395	0.094	4	120.4050	0.707	76	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	120.2687	0.419	3	120.1264	0.238	5	120.4050	0.707	76	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,5|H<1>}	119.4400	0.000	1	120.1264	0.238	5	120.4050	0.707	76	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,5|H<1>}	120.3860	0.000	1	120.1264	0.238	5	120.4050	0.707	76	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,4|H<1>}	121.1010	0.049	2	121.1010	0.002	2	120.4050	0.707	76	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,7|H<1>}	120.8875	0.664	2	120.8875	0.441	2	120.4050	0.707	76	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){2|C<4>,3|C<3>,7|H<1>}	122.8905	0.243	2	122.8905	0.059	2	120.4050	0.707	76	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,4|H<1>}	120.2220	0.000	1	120.9825	1.157	2	120.4050	0.707	76	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	121.7430	0.000	1	120.9825	1.157	2	120.4050	0.707	76	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]PdH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]Cr)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]PdH)(C[6a]C[6a]H){1|Cr<9>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Pd<5>,1|C<3>,1|C<4>,1|C<5>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]Cr)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Pd<5>,1|C<3>,2|C<4>,4|H<1>}	119.1845	0.077	4	119.1434	0.013	5	120.4050	0.707	76	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]PdH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]Cr)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]PdH)(C[6a]C[6a]H){1|Cr<9>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Pd<6>,1|C<3>,1|C<4>,1|C<5>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]Cr)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Pd<6>,1|C<3>,2|C<4>,4|H<1>}	118.9790	0.000	1	119.1434	0.013	5	120.4050	0.707	76	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){5|C<3>,7|H<1>}	120.5620	0.000	1	120.5620	0.000	1	120.4050	0.707	76	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]CH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]CH)(C[6a]C[6a]H){1|S<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|S<4>,2|H<1>,3|C<3>}	120.8410	0.000	1	120.7200	0.099	3	120.4050	0.707	76	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]CH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]CH)(C[6a]C[6a]H){1|S<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	120.6595	0.421	2	120.7200	0.099	3	120.4050	0.707	76	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6]C[6,6]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	120.9440	0.000	2	120.9440	0.000	2	120.4050	0.707	76	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]HO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]HO)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,6a](C[5,6]N[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,5|H<1>}	121.4880	0.168	2	121.4880	0.028	2	120.4050	0.707	76	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]Si[5,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]Si[5,6]C[6]B)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]Si[5,6]HH)(C[6a]C[6a]H){1|B<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|C<4>,3|H<1>}	C[5,6a](C[5,6]Si[5,6]C[6]B)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,5|H<1>}	119.7140	0.000	1	119.7140	0.000	1	120.4050	0.707	76	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]CH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5]C[5,6]C[6a]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]CH)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5]C[5,6]C[6a]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	120.3760	0.000	1	120.3760	0.000	1	120.7520	0.283	2	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5]C[6a]C[6]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5]C[6a]C[6]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,6|C<3>}	121.1280	0.000	1	121.1280	0.000	1	120.7520	0.283	2	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	Ge[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]Ge[5,6]C[6a])(C[5]O[5]Si2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](Ge[5,6]C[6]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]Ge[5,6]C[6a])(C[5]O[5]Si2)(C[6a]C[6a]H){2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|Ge<4>,2|Si<4>,1|C<3>,1|H<1>,1|O<2>}	C[5,6a](Ge[5,6]C[6]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){2|Si<4>,2|C<4>,2|H<1>,3|C<3>}	120.4890	0.000	1	120.4890	0.000	1	120.4890	0.000	1	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	C[5,6a](N[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,7|H<1>}	118.7350	0.000	1	118.7350	0.000	1	118.7350	0.000	1	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	C[5,6a](N[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,7|H<1>}	118.2200	0.000	1	118.2200	0.000	1	118.2200	0.000	1	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	P[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]P[3,5]C[6a])(C[5]C[3,5]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](P[3,5]C[3,5]C[3]Au)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]P[3,5]C[6a])(C[5]C[3,5]CC)(C[6a]C[6a]H){1|Au<2>,1|C<3>,1|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|P<4>,3|C<4>}	C[5,6a](P[3,5]C[3,5]C[3]Au)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|C<3>,3|C<4>,4|H<1>}	119.7940	0.000	1	119.7940	0.000	1	119.7940	0.000	1	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	Si[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]Si[5,5]C[6a])(C[5]C[6a]O[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](Si[5,5]C[3x3,4x5,12x6]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]Si[5,5]C[6a])(C[5]C[6a]O[5]H)(C[6a]C[6a]H){1|C<5>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](Si[5,5]C[3x3,4x5,12x6]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|B<5>,1|C<4>,1|C<5>,2|B<6>,3|C<3>,3|H<1>}	121.4660	0.000	1	121.4660	0.000	1	121.6370	0.058	2	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	Si[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]Si[5,5]C[6a])(C[5]C[6a]O[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](Si[5,5]C[5]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]Si[5,5]C[6a])(C[5]C[6a]O[5]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](Si[5,5]C[5]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|Si<4>,2|C<3>,2|C<4>,3|H<1>}	121.8080	0.000	1	121.8080	0.000	1	121.6370	0.058	2	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	Si[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]Si[5])(C[5]Si[5,5]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](Si[5]Si[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[6a]Si[5])(C[5]Si[5,5]CC)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|Si<4>,1|C<3>,1|H<1>,2|C<4>}	C[5,6a](Si[5]Si[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>,4|C<4>}	118.6250	0.000	1	118.6250	0.000	1	118.6250	0.000	1	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	Ge[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]Ge[4,5]C[6a])(P[5]Ge[4,5]C[6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](Ge[4,5]Ge[4,5]C[6a]P[4])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]Ge[4,5]C[6a])(P[5]Ge[4,5]C[6a]2)(C[6a]C[6a]H){1|P<2>,2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|Ge<3>,1|Ge<4>,1|H<1>,3|C<3>}	C[5,6a](Ge[4,5]Ge[4,5]C[6a]P[4])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){2|H<1>,6|C<3>}	119.6370	1.827	2	119.6370	3.339	2	119.6370	3.339	2	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3,5,6]C[6a])(S[5]N[3,5]OO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5,6]C[3,6]N[3,5]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5,6]C[6a])(S[5]N[3,5]OO)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5,6a](C[3,5,6]C[3,6]N[3,5]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<1>,5|H<1>}	122.2650	0.000	1	122.2650	0.000	1	122.2650	0.000	1	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(S[5]N[3,5]OO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]N[3,5]C[3]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(S[5]N[3,5]OO)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5,6a](C[3,5]N[3,5]C[3]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|I<1>,2|C<3>,2|H<1>,2|O<1>}	123.2550	0.000	1	122.6787	0.252	3	122.7188	0.168	5	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(S[5]N[3,5]OO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]N[3,5]C[3]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(S[5]N[3,5]OO)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|O<1>}	C[5,6a](C[3,5]N[3,5]C[3]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	122.3905	0.073	2	122.6787	0.252	3	122.7188	0.168	5	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(S[5]N[3,5]OO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]N[3,5]C[3]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(S[5]N[3,5]OO)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5,6a](C[3,5]N[3,5]C[3]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|C<3>,2|O<1>,3|H<1>}	123.0580	0.000	1	123.0580	0.000	1	122.7188	0.168	5	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(S[5]N[3,5]OO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]N[3,5]C[6a]O[3])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(S[5]N[3,5]OO)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5,6a](C[3,5]N[3,5]C[6a]O[3])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	122.5000	0.000	1	122.5000	0.000	1	122.7188	0.168	5	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3x5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3x5,6]C[6a])(S[5]N[5,5,6]OO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[3x5,6]C[5,6,6a]N[5,5,6]C[5,5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3x5,6]C[6a])(S[5]N[5,5,6]OO)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5,6a](C[3x5,6]C[5,6,6a]N[5,5,6]C[5,5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,3|C<3>,3|C<4>,3|H<1>}	122.8930	0.000	1	122.8930	0.000	1	122.8930	0.000	1	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5,6]C[4,6a]C[4,6]N[5,6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5,6a](C[4,5,6]C[4,6a]C[4,6]N[5,6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	122.9880	0.000	1	122.9880	0.000	1	122.9880	0.000	1	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(S[5]N[4,5]OO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]N[4,5]C[4]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(S[5]N[4,5]OO)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5,6a](C[4,5]N[4,5]C[4]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	122.9405	0.596	2	122.9405	0.355	2	122.9897	0.185	3	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(S[5]N[4,5]OO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]N[4,5]C[6a]C[4])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(S[5]N[4,5]OO)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5,6a](C[4,5]N[4,5]C[6a]C[4])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,4|C<3>,4|H<1>}	123.0880	0.000	1	123.0880	0.000	1	122.9897	0.185	3	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]C[5,5]NO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]C[5,5]NO)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	124.2080	0.000	1	124.2080	0.000	1	123.0534	0.521	14	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]C[5,5]OO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]C[5,5]OO)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|O<1>,4|H<1>}	123.3860	0.000	1	123.3860	0.000	1	123.0534	0.521	14	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]C[5,5]OO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]C[5,5]OO)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,2|O<1>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>,3|O<1>}	121.4460	0.000	1	121.4460	0.000	1	123.0534	0.521	14	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]N[5,5]OO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]N[5,5]OO)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|C<3>,2|O<1>,3|H<1>}	122.9470	0.000	1	123.1410	0.087	5	123.0534	0.521	14	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]N[5,5]OO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]N[5,5]OO)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|O<1>,3|C<3>,3|H<1>}	123.1370	0.000	1	123.1410	0.087	5	123.0534	0.521	14	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]N[5,5]OO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]N[5,5]OO)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,3|C<3>,4|H<1>}	123.6490	0.000	1	123.1410	0.087	5	123.0534	0.521	14	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]N[5,5]OO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]N[5,5]OO)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	122.9860	0.065	2	123.1410	0.087	5	123.0534	0.521	14	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]N[5,5]OO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]N[5,5]OO)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	123.4800	0.000	1	123.4800	0.000	1	123.0534	0.521	14	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]N[5,5]OO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[6a]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]N[5,5]OO)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5,6a](C[5,5]N[5,5]C[6a]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<1>,5|C<3>}	123.7960	0.000	1	123.2807	0.207	3	123.0534	0.521	14	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]N[5,5]OO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[6a]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]N[5,5]OO)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5,6a](C[5,5]N[5,5]C[6a]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|O<1>,3|H<1>,5|C<3>}	123.0230	0.127	2	123.2807	0.207	3	123.0534	0.521	14	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]N[5,5]OO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]O[5]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]N[5,5]OO)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|O<1>}	C[5,6a](C[5,5]N[5,5]O[5]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|O<1>,3|C<4>}	122.3405	0.771	2	122.3405	0.595	2	123.0534	0.521	14	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]C[5,6]OO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]S[6]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]C[5,6]OO)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[5,6a](C[5,6]C[5,6]S[6]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	122.9255	0.064	2	122.9255	0.004	2	123.2969	0.313	10	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6]N[5,6]O)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5,6a](C[5,6]C[6,6]N[5,6]O)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<3>,2|O<1>,3|C<4>,3|H<1>}	124.5180	0.000	1	124.5180	0.000	1	123.2969	0.313	10	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5,6a](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	123.3267	0.025	3	123.3267	0.001	3	123.2969	0.313	10	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5,6]C[6]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|O<1>}	C[5,6a](C[5,6]N[5,6]C[6]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	122.3570	0.000	1	122.8290	0.446	2	123.2969	0.313	10	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5,6]C[6]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5,6a](C[5,6]N[5,6]C[6]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	123.3010	0.000	1	122.8290	0.446	2	123.2969	0.313	10	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5,6]C[6a]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|O<1>}	C[5,6a](C[5,6]N[5,6]C[6a]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,2|O<1>,5|C<3>}	123.6950	0.000	1	123.6950	0.000	1	123.2969	0.313	10	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5a,6]N[5,6]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5,6a](C[5,6]N[5a,6]N[5,6]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	123.2670	0.000	1	123.2670	0.000	1	123.2969	0.313	10	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:F-1:	B[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]B[5,5]C[6a])(Si[5]O[5]CC)(C[6a]C[6a]F)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(F)	C[5,6a](B[5,5]C[5,6a]O[5]2)(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]B[5,5]C[6a])(Si[5]O[5]CC)(C[6a]C[6a]F){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(F){1|B<4>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](B[5,5]C[5,6a]O[5]2)(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){1|Si<4>,1|F<1>,1|H<1>,2|C<4>,3|C<3>}	118.2380	0.069	2	118.2380	0.005	2	118.2380	0.005	2	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,3x6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,3x6]C[6a])(Si[5]C[5,6,6]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,3x6]C[6,6,6a]C[5,6,6]C[5x6])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,3x6]C[6a])(Si[5]C[5,6,6]CC)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,3x6]C[6,6,6a]C[5,6,6]C[5x6])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,7|C<3>}	119.4400	0.000	1	119.4400	0.000	1	118.5535	1.572	2	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,3x6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,3x6]C[6a])(Si[5]C[5,6,6]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,3x6]C[6,6,6a]C[5,6,6]O[6,6])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,3x6]C[6a])(Si[5]C[5,6,6]CC)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,3x6]C[6,6,6a]C[5,6,6]O[6,6])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	117.6670	0.000	1	117.6670	0.000	1	118.5535	1.572	2	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]Fe)(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[6a]H){1|Fe<10>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]Fe)(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	118.3195	0.006	2	118.3195	0.000	2	118.3195	0.000	2	120.6932	1.544	297	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	6:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	B[5x3,6x5,20x6]-6:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]B[5x3,6x5,20x6]C[6a])(C[5]C[5x3,6x5,20x6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](B[5x3,6x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5x3,6x5,20x6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]B[5x3,6x5,20x6]C[6a])(C[5]C[5x3,6x5,20x6]HH)(C[6a]C[6a]H){1|C<3>,1|C<6>,2|H<1>,5|B<6>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<6>,1|C<3>,1|C<6>,3|H<1>}	C[5,6a](B[5x3,6x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5x3,6x5,20x6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,5|B<6>,8|H<1>}	120.4250	0.000	1	120.4250	0.000	1	120.6385	0.091	2	119.9723	1.377	3	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	6:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	B[5x3,6x5,20x6]-6:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]B[5x3,6x5,20x6]C[6a])(C[5]C[5x3,6x5,20x6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](B[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]B[5x3,6x5,20x6]C[6a])(C[5]C[5x3,6x5,20x6]HH)(C[6a]C[6a]H){1|C<3>,1|C<6>,2|H<1>,5|B<6>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<6>,1|C<3>,1|C<6>,3|H<1>}	C[5,6a](B[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<6>,4|B<6>,8|H<1>}	120.8520	0.000	1	120.8520	0.000	1	120.6385	0.091	2	119.9723	1.377	3	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	6:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5x3,6x5,20x6]-6:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5x3,6x5,20x6]C[6a])(C[5]C[5x3,6x5,20x6]HH)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5x3,6x5,20x6]C[6a])(C[5]C[5x3,6x5,20x6]HH)(C[6a]C[6a]H){1|C<3>,2|H<1>,6|B<6>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<6>,3|H<1>}	C[5,6a](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,5|B<6>,8|H<1>}	118.6400	0.000	1	118.6400	0.000	1	118.6400	0.000	1	119.9723	1.377	3	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:2:	3:2:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:O-2:	C[5,6a]-3:N[6a]-2:O[5]-2:	C[5,6a](C[5,6a]N[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(OH)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(O[5]C[5])	C[5,6a](C[5,6a]N[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a,6a]O){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(OH){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(O[5]C[5]){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	117.0870	0.000	1	117.0870	0.000	1	117.0870	0.000	1	117.0870	0.000	1	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:2:	3:3:2:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6,6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6,6a]O[5])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6,6a]C)(OH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6,6a]C[6,6a]C[6])(O[5]C[5,6])	C[5,6a](C[5,6a]C[6,6a]O[5])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]O){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6,6a]C)(OH){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6,6a]C[6,6a]C[6])(O[5]C[5,6]){2|C<3>,2|H<1>,2|O<2>,4|C<4>}	120.1730	0.000	1	120.1730	0.000	1	120.1730	0.000	1	120.0920	0.509	9	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:2:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(OH)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(O[5]C[5,6])	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]O){1|C<3>,1|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(OH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(O[5]C[5,6]){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	120.5735	0.490	2	120.6882	0.162	4	120.6882	0.162	4	120.0920	0.509	9	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:2:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(OH)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(O[5]C[5,6])	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]O){1|C<3>,1|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(OH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(O[5]C[5,6]){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	120.4930	0.000	1	120.6882	0.162	4	120.6882	0.162	4	120.0920	0.509	9	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:2:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(OH)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(O[5]C[5,6])	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]O){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(OH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(O[5]C[5,6]){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	121.1130	0.000	1	120.6882	0.162	4	120.6882	0.162	4	120.0920	0.509	9	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:2:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]O){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	119.0860	0.000	1	119.0860	0.000	1	119.4755	0.213	4	120.0920	0.509	9	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:2:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]O){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5,6]){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	119.4165	0.472	2	119.4165	0.222	2	119.4755	0.213	4	120.0920	0.509	9	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:2:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HO)(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HO)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5,6]){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	119.9830	0.000	1	119.9830	0.000	1	119.4755	0.213	4	120.0920	0.509	9	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[6]2O[5])(C[6a]C[6a]N)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(NN)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[6]2O[5])(C[6a]C[6a]N){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(NN){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	119.5300	0.124	2	119.5300	0.015	2	119.5300	0.015	2	119.7154	1.251	25	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]O){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|O<2>}	118.1280	0.000	1	118.1280	0.000	1	118.1280	0.000	1	119.7154	1.251	25	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:O-2:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]CC)(C[6a]C[5,6a]O)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(OC)	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]CC)(C[6a]C[5,6a]O){1|O<2>,1|S<2>,3|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(OC){1|S<2>,3|C<4>,4|C<3>}	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O){1|O<2>,3|C<3>,3|C<4>}	119.5420	0.150	2	119.5420	0.022	2	119.5420	0.022	2	119.7154	1.251	25	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OC){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	119.7560	0.000	1	119.7560	0.000	1	120.4367	0.389	10	119.7154	1.251	25	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC)	C[5,6a](C[5,6a]C[5,6a]C[6,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|S<2>,2|O<2>,4|C<3>}	120.5950	0.000	1	120.5950	0.000	1	120.4367	0.389	10	119.7154	1.251	25	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OC){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	119.5280	0.000	1	120.3359	0.239	7	120.4367	0.389	10	119.7154	1.251	25	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OC){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,4|H<1>}	120.4705	0.368	6	120.3359	0.239	7	120.4367	0.389	10	119.7154	1.251	25	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|O<2>,3|C<3>,4|H<1>}	121.6650	0.000	1	121.6650	0.000	1	120.4367	0.389	10	119.7154	1.251	25	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]O){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	121.2950	0.000	1	121.2950	0.000	1	121.2950	0.000	1	119.7154	1.251	25	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]C)(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]C)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){2|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){2|O<2>,3|C<3>}	118.9570	0.000	1	118.9570	0.000	1	118.9570	0.000	1	119.7154	1.251	25	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]O){1|O<1>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|N<3>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|O<2>,3|C<3>}	118.1192	0.569	4	118.1192	0.324	4	118.1192	0.324	4	119.7154	1.251	25	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HN)(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HN)(C[6a]C[6a]O){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|O<2>,3|C<4>,3|H<1>}	119.2930	0.290	3	119.2930	0.084	3	119.2930	0.084	3	119.7154	1.251	25	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:C-2:	C[6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]C[5])(CC)	C[5,6a](C[6a]C[5a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5a]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[5a,6a]C){1|H<1>,1|S<2>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]C[5])(CC){1|H<1>,6|C<3>}	C[5,6a](C[6a]C[5a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5a]C[5]){1|C<2>,1|S<2>,2|H<1>,6|C<3>}	121.6380	0.000	1	121.6380	0.000	1	121.6380	0.000	1	119.7154	1.251	25	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:2:	3:3:4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]O){1|Br<1>,1|C<4>,2|C<3>,8|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	119.8260	0.000	1	119.8260	0.000	1	120.2738	0.132	5	120.1570	1.275	11	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:2:	3:3:4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]O){1|C<4>,2|C<3>,9|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	120.0700	0.000	1	120.0700	0.000	1	120.2738	0.132	5	120.1570	1.275	11	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:2:	3:3:4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]O){1|C<4>,2|C<3>,9|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	120.3690	0.000	1	120.3690	0.000	1	120.2738	0.132	5	120.1570	1.275	11	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:2:	3:3:4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]O){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	120.8000	0.000	1	120.8000	0.000	1	120.2738	0.132	5	120.1570	1.275	11	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:2:	3:3:4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]O){1|C<3>,1|O<1>,2|C<4>,8|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	120.3040	0.000	1	120.3040	0.000	1	120.2738	0.132	5	120.1570	1.275	11	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:2:	3:3:4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]O){10|H<1>,1|C<4>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,4|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	118.6180	0.000	1	118.6180	0.000	1	118.6180	0.000	1	120.1570	1.275	11	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:2:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[5,6a]C)	C[6a](C[5,6a]C[5,6a]C[5])2(CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[5,6a]C){3|C<4>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])2(CC){4|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	120.8045	0.045	2	120.8045	0.002	2	120.8045	0.002	2	120.1570	1.275	11	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:2:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]O){1|Br<1>,1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HH){1|C<4>,3|C<3>,3|O<2>}	119.0250	0.000	1	119.0250	0.000	1	118.8305	0.076	2	120.1570	1.275	11	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:2:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]O){4|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|H<1>,2|O<2>,3|C<3>}	118.6360	0.000	1	118.6360	0.000	1	118.8305	0.076	2	120.1570	1.275	11	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:2:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]N[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a,6a]O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(OH){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]N[5]CC){1|O<2>,2|H<1>,3|C<3>}	122.4700	0.000	1	122.4700	0.000	1	122.4700	0.000	1	120.1570	1.275	11	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:2:	3:4:3:	C[5,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5,6]C[5,6]3)(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(OH)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5,6]C[5,6]3)(C[6a]C[6a]O){3|C<3>,3|C<4>,6|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	118.6440	0.000	1	118.6440	0.000	1	118.6440	0.000	1	120.5970	0.456	17	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:2:	3:4:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]O)(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(OC)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]Br)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]O)(C[6a]C[6a]O){1|Br<1>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(OC){1|C<3>,2|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]Br){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	120.8990	0.000	1	120.8990	0.000	1	120.8990	0.000	1	120.5970	0.456	17	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:2:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CN)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]C){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CN){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]O){1|C<2>,1|N<3>,2|C<3>,3|H<1>}	120.4980	0.215	3	120.4980	0.046	3	120.4980	0.046	3	120.5970	0.456	17	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:2:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5,6]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C)(OC)	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[5,6a]C[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5]){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	121.8510	0.000	1	121.8510	0.000	1	121.8510	0.000	1	120.5970	0.456	17	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:2:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]CC)(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]CH)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]CC)(C[6a]C[6a]O){1|C<3>,1|H<1>,2|C<4>,3|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC){1|C<3>,5|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]CH)(C[6a]C[6a]O){1|C<3>,2|O<2>,4|C<4>}	120.3410	0.000	1	120.3410	0.000	1	120.6601	0.166	11	120.5970	0.456	17	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:2:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]CH)(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]CC)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]CH)(C[6a]C[6a]O){1|C<3>,2|O<2>,4|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OC){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]CC)(C[6a]C[6a]O){1|C<3>,1|H<1>,2|C<4>,3|O<2>}	119.7030	0.000	1	119.7030	0.000	1	120.6601	0.166	11	120.5970	0.456	17	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:2:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]O){1|C<2>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]C){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	120.7253	0.029	3	120.8360	0.050	4	120.6601	0.166	11	120.5970	0.456	17	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:2:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]O){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]C){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	121.1680	0.000	1	120.8360	0.050	4	120.6601	0.166	11	120.5970	0.456	17	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:2:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]O){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]O){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	120.8680	0.205	4	120.8680	0.042	4	120.6601	0.166	11	120.5970	0.456	17	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:2:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H){1|H<1>,2|O<2>,4|C<3>}	120.4010	0.000	1	120.4010	0.000	1	120.6601	0.166	11	120.5970	0.456	17	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:2:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[4x5]C[5]H)(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,5]C[5,6a]C[4x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[4x5]C[5]H)(C[6a]C[6a]O){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,6a]C[4x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	120.7610	0.188	2	120.7610	0.035	2	120.7610	0.035	2	120.1906	0.575	17	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:2:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]O[5,6]O[6]H)(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6]C[6,6a]O[5,6]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]O[5,6]O[6]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5,6a](C[5,6]C[6,6a]O[5,6]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<3>}	119.7805	0.616	2	119.7805	0.379	2	119.7805	0.379	2	120.1906	0.575	17	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:2:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]O){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|O<2>,3|H<1>,5|C<3>}	119.4907	0.511	3	119.4907	0.261	3	119.7458	0.243	6	120.1906	0.575	17	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:2:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,3|O<2>,5|C<3>}	119.9720	0.000	1	119.9720	0.000	1	119.7458	0.243	6	120.1906	0.575	17	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:2:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]O)(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]O)(C[6a]C[6a]O){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>,2|O<2>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,4|O<2>,5|C<3>}	119.6280	0.000	1	119.6280	0.000	1	119.7458	0.243	6	120.1906	0.575	17	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:2:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OSi)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OSi){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	120.4030	0.000	1	120.4030	0.000	1	119.7458	0.243	6	120.1906	0.575	17	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:2:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OC)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OC){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	120.5160	0.000	1	120.5160	0.000	1	120.2520	0.778	5	120.1906	0.575	17	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:2:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	120.3400	1.643	2	120.3400	2.700	2	120.2520	0.778	5	120.1906	0.575	17	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:2:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]O){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,3|O<2>,4|H<1>}	119.6930	0.000	1	119.6930	0.000	1	120.2520	0.778	5	120.1906	0.575	17	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:2:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	120.3710	0.000	1	120.3710	0.000	1	120.2520	0.778	5	120.1906	0.575	17	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:2:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:O-2:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]HO)(C[6a]C[5a,6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(OC)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]HO)(C[6a]C[5a,6a]O){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(OC){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){2|C<3>,2|C<4>,3|H<1>,3|O<2>}	121.2110	0.419	2	121.2110	0.175	2	121.2110	0.175	2	120.1906	0.575	17	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CNO)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]C){1|C<3>,2|C<4>,8|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	119.5670	0.000	1	119.5670	0.000	1	119.5670	0.000	1	119.3451	0.671	9	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]CH)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]CH)(C[6a]C[6a]C){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(COO){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){2|C<3>,2|H<1>,3|C<4>}	118.9670	0.000	1	118.9670	0.000	1	119.8055	1.406	2	119.3451	0.671	9	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CC[6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]C){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CC[6a]C){1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){2|H<1>,4|C<3>}	120.6440	0.000	1	120.6440	0.000	1	119.8055	1.406	2	119.3451	0.671	9	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-3:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]O)(COO)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5])	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C){1|H<1>,2|O<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]O)(COO){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5]){1|O<2>,3|H<1>,5|C<3>}	119.9860	0.000	1	119.9860	0.000	1	119.9860	0.000	1	119.3451	0.671	9	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:O[6a]-2:	C[5,6a](C[5,6a]C[5,6a]O[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(O[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]O[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]2){1|C<2>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]C){1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(O[6a]C[6a]){1|O<1>,3|H<1>,4|C<3>}	120.0930	0.000	1	120.0930	0.000	1	120.0930	0.000	1	119.3451	0.671	9	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:3:	3:3:2:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(P[5]C[5]CuC)(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(P[5]C[5]CuC)(C[6a]C[6a]2){3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|Cu<4>,1|O<2>,1|P<4>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(O[5]C[5]){1|Cu<4>,1|C<4>,2|C<3>,3|H<1>}	118.9520	0.339	3	118.9520	0.115	3	118.7122	0.307	4	119.3451	0.671	9	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:3:	3:3:2:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(P[5]C[5]PdC)(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(P[5]C[5]PdC)(C[6a]C[6a]2){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|Pd<4>,1|H<1>,2|C<4>,3|C<3>,3|O<2>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(O[5]C[5]){1|Pd<4>,2|C<3>,2|C<4>,2|H<1>}	117.9930	0.000	1	117.9930	0.000	1	118.7122	0.307	4	119.3451	0.671	9	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]2){10|C<3>,1|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,8|C<3>}	121.2670	0.203	6	121.2670	0.041	6	121.2670	0.041	6	120.5772	0.714	39	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[6]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]N[6])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(N[6]C[6]2)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]N[6]){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(N[6]C[6]2){1|N<3>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	120.7020	0.000	1	120.7020	0.000	1	120.7020	0.000	1	120.5772	0.714	39	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]2)(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]2)(C[6a]C[6a,6a]C[6a]){1|H<1>,2|C<4>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]2){2|O<2>,3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a,6a]H){1|H<1>,2|O<2>,5|C<3>}	121.8550	0.297	2	121.8550	0.088	2	121.8550	0.088	2	120.5772	0.714	39	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a]2){1|O<2>,2|C<4>,4|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a]){2|C<4>,2|H<1>,6|C<3>}	121.1270	0.000	1	121.1270	0.000	1	121.1270	0.000	1	120.5772	0.714	39	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(COO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(COO){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	119.8175	0.298	4	119.8175	0.089	4	119.8175	0.089	4	120.5772	0.714	39	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5]C[6a]O[5]C)(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]O[5]O)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5]C[6a]O[5]C)(C[6a]C[6a]2){1|O<1>,2|C<4>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C)(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]O[5]O){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	121.1765	0.047	2	121.1765	0.002	2	121.1765	0.002	2	120.5772	0.714	39	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]C)(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]C)(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	119.9360	0.000	1	119.9360	0.000	1	121.0370	2.424	2	120.5772	0.714	39	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]2){1|C<2>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]C){5|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){4|C<3>,4|H<1>}	122.1380	0.000	1	122.1380	0.000	1	121.0370	2.424	2	120.5772	0.714	39	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5,6]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5,6]C){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	120.7070	0.553	3	120.7070	0.306	3	120.7070	0.306	3	120.5772	0.714	39	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NCH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NCH){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	120.6545	0.227	2	120.6545	0.052	2	120.6545	0.052	2	120.5772	0.714	39	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:3:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]B)(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]B)(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|B<4>,1|H<1>,2|O<2>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|B<4>,2|H<1>,5|C<3>}	121.2215	0.213	2	121.2215	0.045	2	120.6562	0.592	4	120.5772	0.714	39	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:3:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]FeC)(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]FeC)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|Fe<5>,1|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|Fe<5>,1|C<4>,2|H<1>,4|C<3>}	120.5660	0.000	1	120.5660	0.000	1	120.6562	0.592	4	120.5772	0.714	39	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:3:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]RuC)(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]RuC)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|Ru<9>,1|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|Ru<9>,1|C<4>,2|H<1>,4|C<3>}	119.6160	0.000	1	119.6160	0.000	1	120.6562	0.592	4	120.5772	0.714	39	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:3:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,6|C<3>}	120.4570	0.000	1	120.4570	0.000	1	120.4570	0.000	1	120.5772	0.714	39	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:3:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(P[5]C[5]CuC)(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(P[5]C[5]CuC)(C[6a]C[6a]2){4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|Cu<4>,1|N<3>,1|P<4>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<4>,1|C<4>,2|C<3>,3|H<1>}	120.6050	0.396	4	120.6050	0.157	4	120.6050	0.157	4	120.5772	0.714	39	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:3:	3:3:3:	C[5,6a]-3:Si[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5,5]C[5,6a]3)(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]Si[5,5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Si[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5,5]C[5,6a]3)(C[6a]C[6a]2){2|H<1>,9|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5,5])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Si[5,5]C[6a])(C[6a]C[6a]H){1|H<1>,7|C<3>}	119.3125	0.216	2	119.3125	0.047	2	119.3125	0.047	2	120.5772	0.714	39	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:3:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]2)(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]2)(C[6a]C[6a]2){2|H<1>,9|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){1|H<1>,7|C<3>}	119.0170	0.000	1	119.0170	0.000	1	118.9633	0.099	3	120.5772	0.714	39	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:3:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]Cl2)(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]Cl2)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]2)(C[6a]C[6a]H){2|Cl<1>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|Cl<1>,1|H<1>,5|C<3>}	119.2470	0.000	1	119.2470	0.000	1	118.9633	0.099	3	120.5772	0.714	39	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:3:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]Si2)(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]Si2)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]2)(C[6a]C[6a]H){2|Si<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|Si<4>,1|H<1>,5|C<3>}	118.6260	0.000	1	118.6260	0.000	1	118.9633	0.099	3	120.5772	0.714	39	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:3:	3:3:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(Si[5]C[5,6a]OO)(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]Si[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(Si[5]C[5,6a]OO)(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){2|H<1>,2|O<2>,6|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]Si[5]){1|H<1>,2|O<2>,7|C<3>}	120.6125	0.046	2	120.6125	0.002	2	120.6125	0.002	2	120.5772	0.714	39	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:P-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]P)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(PC[6a]2)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]P){1|C<3>,2|C<4>,9|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(PC[6a]2){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,1|P<3>,3|H<1>}	120.3275	0.397	2	120.3275	0.157	2	120.3275	0.157	2	120.5370	0.210	3	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CHO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CHO){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,3|C<3>,3|H<1>}	120.9560	0.000	1	120.9560	0.000	1	120.9560	0.000	1	120.5370	0.210	3	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CNO)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]C){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CNO){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]O){1|N<3>,3|C<3>,3|H<1>}	120.3620	0.000	1	120.3620	0.000	1	120.3620	0.000	1	120.3620	0.000	1	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HO)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CHO)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HO)(C[6a]C[6a]C){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CHO){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	120.8430	0.000	1	120.8430	0.000	1	120.8430	0.000	1	120.8430	0.000	1	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:4:	3:3:2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]C){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(CH3){2|C<3>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	119.2550	0.000	1	119.2550	0.000	1	119.2550	0.000	1	119.7342	0.804	9	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:4:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]ClC)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]ClC)(C[6a]C[6a]C){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHN){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|Cl<1>,1|C<3>,1|H<1>,3|C<4>}	120.6050	0.000	1	120.6050	0.000	1	120.6050	0.000	1	119.7342	0.804	9	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:4:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]BrH)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]BrH)(C[6a]C[6a]C){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(CH3){1|Br<1>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|Br<1>,1|C<3>,1|H<1>,1|N<3>,3|C<4>}	120.6590	0.000	1	120.6590	0.000	1	119.6783	0.903	7	119.7342	0.804	9	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:4:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]C){2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5,6]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	121.2830	0.000	1	121.2830	0.000	1	119.6783	0.903	7	119.7342	0.804	9	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:4:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]2C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]2C[5])(C[6a]C[6a]C){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHO){2|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	119.6940	0.000	1	119.6940	0.000	1	119.6783	0.903	7	119.7342	0.804	9	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:4:	3:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	119.0280	0.252	4	119.0280	0.064	4	119.6783	0.903	7	119.7342	0.804	9	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[5,6a]Si)(CHHO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[5,6a]2)(C[5]C[5,5]O)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]C){1|Si<4>,1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[5,6a]Si)(CHHO){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[5,6a]2)(C[5]C[5,5]O){2|C<4>,2|H<1>,5|C<3>}	122.8540	0.000	1	122.8540	0.000	1	122.8540	0.000	1	121.3567	1.420	31	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(CCHH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]C){1|C<4>,8|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(CCHH){1|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]2){1|H<1>,2|C<4>,7|C<3>}	121.4400	0.000	1	121.4400	0.000	1	121.4400	0.000	1	121.3567	1.420	31	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]C){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>,3|O<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,2|C<4>,2|O<2>}	121.1980	0.000	1	121.1980	0.000	1	121.1980	0.000	1	121.3567	1.420	31	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]C[6])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(C[6]C[6]2C)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]C[6]){1|O<1>,2|H<1>,3|C<3>,6|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(C[6]C[6]2C){1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	119.6250	0.000	1	119.6250	0.000	1	119.6250	0.000	1	121.3567	1.420	31	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[6a]C[6a]C){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHH){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	120.8060	0.000	1	120.8060	0.000	1	120.7272	0.042	5	121.3567	1.420	31	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,1|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	120.4650	0.000	1	120.4650	0.000	1	120.7272	0.042	5	121.3567	1.420	31	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	120.7190	0.000	1	120.7190	0.000	1	120.7272	0.042	5	121.3567	1.420	31	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]SnC)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]SnC)(C[6a]C[6a]C){2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3){1|Sn<4>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|Sn<4>,3|C<3>,4|C<4>}	120.8230	0.276	2	120.8230	0.076	2	120.7272	0.042	5	121.3567	1.420	31	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]C){1|O<1>,1|S<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,1|S<3>,2|C<3>,3|H<1>}	121.1910	0.000	1	121.1910	0.000	1	121.1910	0.000	1	121.3567	1.420	31	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]AlSi)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]AlSi)(C[6a]C[6a]C){1|C<3>,4|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3){1|Al<5>,1|Si<5>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]C){1|Al<5>,1|Si<5>,1|C<3>,3|C<4>}	119.4740	0.215	2	119.4740	0.046	2	121.3067	1.026	12	121.3567	1.420	31	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]O[5]C)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]O[5]C)(C[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|H<1>,2|C<3>,2|C<4>}	121.5170	0.000	1	121.5170	0.000	1	121.3067	1.026	12	121.3567	1.420	31	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]SiH)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]SiH)(C[6a]C[6a]C){1|C<3>,4|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3){1|Si<4>,1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]C){1|Si<4>,1|C<3>,1|H<1>,3|C<4>}	121.7797	0.392	3	121.7797	0.153	3	121.3067	1.026	12	121.3567	1.420	31	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C){1|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	120.9080	0.000	1	120.9080	0.000	1	121.3067	1.026	12	121.3567	1.420	31	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]O){2|C<3>,2|H<1>,3|C<4>}	120.6220	0.000	1	120.6220	0.000	1	121.3067	1.026	12	121.3567	1.420	31	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]C){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHH){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]O){1|C<4>,2|C<3>,3|H<1>}	122.3460	0.187	2	122.3460	0.035	2	121.3067	1.026	12	121.3567	1.420	31	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6a]C){1|C<4>,1|H<1>,1|O<1>,1|S<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CCHH){1|N<3>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|O<2>,1|S<4>,3|C<3>}	121.5680	0.000	1	121.5680	0.000	1	121.3067	1.026	12	121.3567	1.420	31	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]C){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHH){1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O){1|C<4>,2|C<3>,2|H<1>}	122.0860	0.000	1	122.0860	0.000	1	121.3067	1.026	12	121.3567	1.420	31	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:4:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]B)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CCHO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]B)(C[6a]C[6a]C){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CCHO){1|B<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|B<4>,1|C<4>,2|H<1>,4|C<3>}	120.7130	0.000	1	120.7130	0.000	1	120.7972	0.363	6	121.3567	1.420	31	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:4:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]B)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CC[6a]HO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]B)(C[6a]C[6a]C){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CC[6a]HO){1|B<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|B<4>,1|C<4>,2|H<1>,4|C<3>}	121.0953	0.540	3	121.0953	0.292	3	120.7972	0.363	6	121.3567	1.420	31	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:4:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]FeC)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]FeC)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CH3){1|Fe<5>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|Fe<5>,1|H<1>,3|C<3>,3|C<4>}	120.9530	0.000	1	120.9530	0.000	1	120.7972	0.363	6	121.3567	1.420	31	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:4:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]RuC)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]RuC)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CH3){1|Ru<9>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|Ru<9>,1|H<1>,3|C<3>,3|C<4>}	119.8310	0.000	1	119.8310	0.000	1	120.7972	0.363	6	121.3567	1.420	31	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:4:	3:3:3:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CHHP)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CHHP){1|H<1>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	123.5380	0.509	2	123.5380	0.259	2	123.8833	0.487	3	121.3567	1.420	31	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:4:	3:3:3:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]Pd2)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]Pd2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CH3){2|Pd<5>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|Pd<5>,1|C<4>,2|H<1>,3|C<3>}	124.5740	0.000	1	124.5740	0.000	1	123.8833	0.487	3	121.3567	1.420	31	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:P-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]P)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(PC[6a]2O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]P){1|C<4>,2|C<3>,9|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(PC[6a]2O){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,1|P<4>,3|H<1>}	119.6580	0.601	3	119.6580	0.361	3	119.6580	0.361	3	119.8215	1.475	15	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]RuC)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HP)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]RuC)(C[6a]C[6a]C){1|Ru<5>,1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|Ru<7>,1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HP){1|Ru<5>,1|Ru<7>,1|C<3>,1|H<1>,2|C<4>}	120.4200	0.000	1	120.4200	0.000	1	121.4223	0.800	3	119.8215	1.475	15	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C){1|Br<1>,2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	122.1390	0.000	1	121.9235	0.093	2	121.4223	0.800	3	119.8215	1.475	15	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C){3|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<4>,2|C<3>,4|H<1>}	121.7080	0.000	1	121.9235	0.093	2	121.4223	0.800	3	119.8215	1.475	15	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:4:	3:3:4:	C[5,6a]-3:Ga[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(Ga[5]C[6a]2N[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]Ga[5])(C[6a]C[6a]H)(CC3)	C[5,6a](C[5,6a]C[6a]Ga[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(Ga[5]C[6a]2N[5])(C[6a]C[6a]C){2|C<4>,4|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]Ga[5])(C[6a]C[6a]H)(CC3){1|N<4>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]Ga[5])(C[6a]C[6a]H)(C[5]N[5]HH){3|C<3>,4|C<4>}	117.2440	0.000	1	117.2440	0.000	1	118.0650	1.348	2	119.8215	1.475	15	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:4:	3:3:4:	C[5,6a]-3:Ga[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(Ga[5]N[5]Cl2)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]Ga[5])(C[6a]C[6a]H)(CC3)	C[5,6a](C[5,6a]C[6a]Ga[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(Ga[5]N[5]Cl2)(C[6a]C[6a]C){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]Ga[5])(C[6a]C[6a]H)(CC3){2|Cl<1>,1|C<3>,1|N<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]Ga[5])(C[6a]C[6a]H)(C[5]N[5]HH){2|Cl<1>,1|C<3>,4|C<4>}	118.8860	0.000	1	118.8860	0.000	1	118.0650	1.348	2	119.8215	1.475	15	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:4:	3:3:4:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[5]IrC)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CC3)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[5]IrC)(C[6a]C[6a]C){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CC3){1|Ir<4>,1|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Ir<4>,1|C<3>,2|H<1>,3|C<4>}	119.5400	0.429	3	119.7270	0.262	4	119.7074	0.492	7	119.8215	1.475	15	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:4:	3:3:4:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[5]IrC)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CC3)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[5]IrC)(C[6a]C[6a]C){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CC3){1|Ir<4>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Ir<4>,2|C<3>,2|C<4>,2|H<1>}	120.2880	0.000	1	119.7270	0.262	4	119.7074	0.492	7	119.8215	1.475	15	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:4:	3:3:4:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[5]Mo2)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CC3)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[5]Mo2)(C[6a]C[6a]C){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CC3){2|Mo<9>,1|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|Mo<9>,1|C<3>,2|C<4>,2|H<1>}	118.4810	0.000	1	118.4810	0.000	1	119.7074	0.492	7	119.8215	1.475	15	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:4:	3:3:4:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[5]PdC)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CC3)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[5]PdC)(C[6a]C[6a]C){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CC3){1|Pd<4>,1|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Pd<4>,1|C<3>,2|H<1>,3|C<4>}	120.2760	0.000	1	120.2760	0.000	1	119.7074	0.492	7	119.8215	1.475	15	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:4:	3:3:4:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]2C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]2C[5])(C[6a]C[6a]C){1|C<4>,2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CH3){2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<4>,4|C<3>}	120.2870	0.000	1	120.2870	0.000	1	119.7074	0.492	7	119.8215	1.475	15	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]F)(CCHH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]C){1|C<3>,1|C<4>,1|F<1>,1|N<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]F)(CCHH){1|C<3>,1|F<1>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H){1|C<3>,1|F<1>,1|N<3>,2|C<4>,5|H<1>}	122.0480	0.000	1	122.0480	0.000	1	122.0480	0.000	1	121.4112	0.553	20	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]MoH)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]MoH)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]MoH)(C[6a]C[6a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|Mo<10>,1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]MoH)(C[6a]C[6a]C){1|C<3>,1|C<4>,3|H<1>}	121.3900	0.266	4	121.6731	0.239	14	121.4556	0.471	18	121.4112	0.553	20	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]MoH)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]MoH)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]MoH)(C[6a]C[6a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|Mo<8>,1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]MoH)(C[6a]C[6a]C){1|C<3>,1|C<4>,3|H<1>}	121.7863	0.521	10	121.6731	0.239	14	121.4556	0.471	18	121.4112	0.553	20	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]C){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){2|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C){2|H<1>,3|C<4>,4|C<3>}	121.1410	0.000	1	121.1410	0.000	1	121.4556	0.471	18	121.4112	0.553	20	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]C){4|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){2|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	119.9280	0.000	1	119.9280	0.000	1	121.4556	0.471	18	121.4112	0.553	20	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C){2|H<1>,3|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]C){1|C<4>,4|C<3>,4|H<1>}	121.5900	0.000	1	121.5900	0.000	1	121.4556	0.471	18	121.4112	0.553	20	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	120.1190	0.000	1	120.1190	0.000	1	121.4556	0.471	18	121.4112	0.553	20	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:4:	3:4:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[6a]B[5]H)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(CSi2H)	C[5,6a](C[5,6a]C[6a]Si[5])(C[5]B[5]Si2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[6a]B[5]H)(C[6a]C[6a]C){2|Si<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(CSi2H){1|B<3>,1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[5]B[5]Si2)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	119.9760	0.000	1	119.9760	0.000	1	119.9760	0.000	1	121.4112	0.553	20	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[3,5]-4:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[3,5])(C[5,5]C[3,5,5]C[5]H)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[5,6a]Si)(CHHO)	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a]C[5,6a]C[3,5])(C[5,5]C[3,5,5]C[5]H)(C[6a]C[6a]C){1|Si<4>,1|H<1>,2|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[5,6a]Si)(CHHO){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[5,6a]C[5,6a]2){1|C<4>,3|H<1>,6|C<3>}	123.3560	0.000	1	123.3560	0.000	1	123.3560	0.000	1	121.4458	1.812	4	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HN)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HN)(C[6a]C[6a]C){3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|N<3>,3|H<1>}	121.3980	0.000	1	121.3980	0.000	1	121.3980	0.000	1	121.4458	1.812	4	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,5,6]CH)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,5,6]CH)(C[6a]C[6a]C){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,4|C<4>,4|H<1>}	120.6720	0.000	1	120.6720	0.000	1	120.5145	0.050	2	121.4458	1.812	4	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]C){1|C<3>,2|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	120.3570	0.000	1	120.3570	0.000	1	120.5145	0.050	2	121.4458	1.812	4	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:4:	6:3:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C-4:	C[5x3,6x5,20x6]-6:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5x3,6x5,20x6]N[6a])(C[5]B[5x3,6x5,20x6]HH)(C[6a]C[6a,6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(CH3)	C[5,6a](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,5x5,20x6])(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])	C[5,6a](C[5,6a]C[5x3,6x5,20x6]N[6a])(C[5]B[5x3,6x5,20x6]HH)(C[6a]C[6a,6a]C){1|C<6>,2|C<3>,5|B<6>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(CH3){1|B<6>,1|C<6>,1|N<2>,2|C<3>,3|H<1>}	C[5,6a](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,5x5,20x6])(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a]){2|C<3>,2|C<4>,5|B<6>,5|H<1>}	117.8770	0.000	1	117.8770	0.000	1	117.8770	0.000	1	117.8770	0.000	1	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:5:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-5:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6]2F)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6]2F)(C[6a]C[6a]H){3|C<3>,4|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|F<1>,2|C<4>,3|C<3>,3|H<1>}	118.8650	0.508	2	118.8650	0.258	2	121.3312	1.938	10	121.3312	1.938	10	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:5:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-5:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]SSU)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]SSU)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]C)(H){1|U<12>,1|H<1>,2|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|U<12>,2|S<2>,3|C<3>,3|H<1>}	121.9477	0.532	8	121.9477	0.283	8	121.3312	1.938	10	121.3312	1.938	10	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:5:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5]-5:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]Ru3)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]Ru3)(C[6a]C[6a]H){1|Ru<6>,1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Ru<5>,2|Ru<6>,1|C<3>,1|C<4>,1|C<5>,1|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Ru<5>,3|Ru<6>,1|C<3>,2|H<1>}	119.9040	0.000	1	119.9040	0.000	1	119.9040	0.000	1	119.9040	0.000	1	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:5:3:	3:3:1:	3:4:3:	C[5,6a]-3:As[5]-5:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(As[5]C[6a]3O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]As[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]As[5]C[6a])(C[5]C[6a]O[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(As[5]C[6a]3O[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,8|C<3>}	C[6a](C[5,6a]C[5,6a]As[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]As[5]C[6a])(C[5]C[6a]O[5]C)(C[6a]C[6a]H){2|H<1>,6|C<3>}	119.9430	0.000	1	119.9430	0.000	1	119.9430	0.000	1	119.8748	0.801	6	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:5:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5]-5:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]GdNN)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]GdN)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]GdNN)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Gd<18>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|N<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]GdN)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	120.8820	0.436	2	120.8820	0.190	2	120.8820	0.190	2	119.8748	0.801	6	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:5:3:	3:3:1:	3:4:3:	C[5,6a]-3:P[5]-5:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]3O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]O[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]3O[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,8|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]O[5]C)(C[6a]C[6a]H){2|H<1>,6|C<3>}	118.7280	0.000	1	118.7280	0.000	1	119.1807	0.169	3	119.8748	0.801	6	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:5:3:	3:3:1:	3:4:3:	C[5,6a]-3:P[5]-5:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]3O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]3O[5])(C[6a]C[6a]H){3|H<1>,8|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	119.4070	0.174	2	119.4070	0.030	2	119.1807	0.169	3	119.8748	0.801	6	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:5:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[5]-5:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]Ru3)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]Ru3)(C[6a]C[6a]C){1|Ru<6>,1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|Ru<5>,2|Ru<6>,1|C<3>,1|C<4>,1|C<5>,1|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|Ru<5>,3|Ru<6>,1|C<3>,1|C<4>,1|H<1>}	118.4670	0.000	1	118.4670	0.000	1	118.4670	0.000	1	118.4670	0.000	1	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	3:6:3:	3:3:1:	3:3:3:	C[5,6a]-3:S[5,5]-6:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5,5]C[5,6a]3CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]S[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]S[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5,5]C[5,6a]3CC)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]S[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]S[5,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,5|C<3>}	119.3555	0.132	2	119.3555	0.017	2	119.3555	0.017	2	119.3555	0.017	2	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:2:1:	3:2:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:O[6a]-2:O-1:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a](C[5,5]C[5,5,6]O[5]H)(C[5,6a]C[6a]O[5])(C[6a]O[6a]O)	C[6a](C[5,6a]C[5,6a]C[5,5])(O[6a]C[6a])(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(O[5]C[5,5,6])(C[6a]C[6a]C)	C[5,6a](C[5,5]C[5,5,6]O[5]H)(C[5,6a]C[6a]O[5])(C[6a]O[6a]O){2|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(O[6a]C[6a])(O){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(O[5]C[5,5,6])(C[6a]C[6a]C){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	119.8020	0.000	1	119.8020	0.000	1	119.8020	0.000	1	119.8020	0.000	1	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:2:1:	3:3:2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:O[6a]-2:O-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]O[6a]O)	C[6a](C[5,6a]C[5,6a]C[5,6])(O[6a]C[6a])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]O[6a]O){1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(O[6a]C[6a])(O){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	120.5850	0.000	1	120.6113	0.051	3	120.6113	0.051	3	121.1448	0.429	6	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:2:1:	3:3:2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:O[6a]-2:O-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]O[6a]O)	C[6a](C[5,6a]C[5,6a]C[5,6])(O[6a]C[6a])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]O[6a]O){1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(O[6a]C[6a])(O){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	120.6245	0.319	2	120.6113	0.051	3	120.6113	0.051	3	121.1448	0.429	6	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:2:1:	3:3:2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:O[6a]-2:O-1:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[6a,6a]O[5])(C[6a]O[6a]O)	C[6a](C[5,6a]C[5,6a]C[5,6])(O[6a]C[6a,6a])(O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6]C[6a])(O[5]C[5,5,6])	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[6a,6a]O[5])(C[6a]O[6a]O){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(O[6a]C[6a,6a])(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6]C[6a])(O[5]C[5,5,6]){1|H<1>,1|O<1>,2|C<4>,2|O<2>,3|C<3>}	121.6783	0.408	3	121.6783	0.166	3	121.6783	0.166	3	121.1448	0.429	6	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:2:3:	3:2:2:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:N-3:	C[5,6a]-3:N[6a]-2:O[5]-2:	C[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]N[6a]O[5])(C[6a]N[6a]N)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(NHH)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(O[5]C[5,5])	C[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]N[6a]O[5])(C[6a]N[6a]N){5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(O[5]C[5,5]){1|H<1>,1|N<2>,2|N<3>,3|C<3>}	115.0940	0.000	1	115.0940	0.000	1	115.0940	0.000	1	115.0940	0.000	1	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:2:4:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:C-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[6a]C[5])(C[6a]N[6a]C)	C[6a](C[5,6a]C[5,6a]C[5,6])(N[6a]C[6a])(CH3)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[6a]C[5])(C[6a]N[6a]C){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(N[6a]C[6a])(CH3){2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,4|C<4>}	118.8595	0.476	2	118.8595	0.226	2	118.8595	0.226	2	118.8595	0.226	2	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:2:2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:N[6a]-2:	C[5,6a](C[5,5]C[4,5,5]C[5]H)(C[5,6a]N[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(O[5]C[4,5,5])(N[6a]C[6a])	C[5,6a](C[5,5]C[4,5,5]C[5]H)(C[5,6a]N[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(O[5]C[4,5,5])(N[6a]C[6a]){1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	117.9240	0.000	1	117.9240	0.000	1	117.9240	0.000	1	117.6705	6.430	4	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:2:2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-3:H-1:	C[5,6a]-3:N[6a]-2:O[5]-2:	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]N[6a]O[5])(C[6a]N[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(N[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[6a]C[6a])(O[5]C[5,5])	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]N[6a]O[5])(C[6a]N[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(N[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|O<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[6a]C[6a])(O[5]C[5,5]){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	115.7985	0.186	2	115.7985	0.035	2	115.7985	0.035	2	117.6705	6.430	4	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:2:2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:O[6a]-2:O[5]-2:	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]O[6a]O[5])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,6])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(O[6a]C[6a,6a])(O[5]C[5,5,6])	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]O[6a]O[5])(C[6a]C[6a,6a]O){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,6])(O){1|H<1>,2|C<3>,2|C<4>,3|O<2>}	C[5,6a](C[5,6a]C[5,6]C[6a])(O[6a]C[6a,6a])(O[5]C[5,5,6]){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	121.1610	0.000	1	121.1610	0.000	1	121.1610	0.000	1	117.6705	6.430	4	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:2:3:	C[4,5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a](C[4,5,5]C[4,5,5]2Ge[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[4,5,5]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5,5]C[6a])(O[5]C[4,5,5])(C[6a]C[6a]H)	C[5,6a](C[4,5,5]C[4,5,5]2Ge[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[5,6a]C[4,5,5]C[5,6a])(C[6a]C[6a]H)(H){1|Ge<4>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[4,5,5]C[6a])(O[5]C[4,5,5])(C[6a]C[6a]H){1|Ge<4>,2|C<3>,2|C<4>,2|H<1>}	119.0020	0.000	1	119.0020	0.000	1	118.4470	0.616	2	119.9090	1.369	27	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:2:3:	C[4,5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a](C[4,5,5]C[4,5,5]2Si[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[4,5,5]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5,5]C[6a])(O[5]C[4,5,5])(C[6a]C[6a]H)	C[5,6a](C[4,5,5]C[4,5,5]2Si[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[5,6a]C[4,5,5]C[5,6a])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[4,5,5]C[6a])(O[5]C[4,5,5])(C[6a]C[6a]H){1|Si<4>,2|C<3>,2|C<4>,2|H<1>}	117.8920	0.000	1	117.8920	0.000	1	118.4470	0.616	2	119.9090	1.369	27	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:2:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]N[6a]N[5])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[4,5])(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(N[6a]C[6a,6a])(N[5]C[5]C)	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]N[6a]N[5])(C[6a]C[6a,6a]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[4,5])(H){1|C<4>,1|H<1>,1|N<2>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(N[6a]C[6a,6a])(N[5]C[5]C){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	119.1020	0.000	1	119.1020	0.000	1	119.1020	0.000	1	119.9090	1.369	27	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:2:3:	C[5,3x6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-2:C[6a]-3:	C[5,6a](C[5,3x6]C[5,6,6]C[6,6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,3x6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,3x6]C[6a])(N[5]C[5,6,6])(C[6a]C[6a]H)	C[5,6a](C[5,3x6]C[5,6,6]C[6,6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	C[6a](C[5,6a]C[5,3x6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,3x6]C[6a])(N[5]C[5,6,6])(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	120.2455	0.129	2	120.2470	0.008	3	120.2470	0.008	3	119.9090	1.369	27	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:2:3:	C[5,3x6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-2:C[6a]-3:	C[5,6a](C[5,3x6]C[5,6,6]C[6,6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,3x6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,3x6]C[6a])(N[5]C[5,6,6])(C[6a]C[6a]H)	C[5,6a](C[5,3x6]C[5,6,6]C[6,6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,3x6]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,3x6]C[6a])(N[5]C[5,6,6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	120.2500	0.000	1	120.2470	0.008	3	120.2470	0.008	3	119.9090	1.369	27	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:2:3:	C[5,5,3x6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-2:C[6a]-3:	C[5,6a](C[5,5,3x6]C[5,6,6]3)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,3x6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,3x6]C[6a])(N[5]C[5,6,6])(C[6a]C[6a]H)	C[5,6a](C[5,5,3x6]C[5,6,6]3)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,5,3x6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,3x6]C[6a])(N[5]C[5,6,6])(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	120.1980	0.000	1	120.1980	0.000	1	120.1980	0.000	1	119.9090	1.369	27	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:2:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a](C[5,5,6]C[5,5,6,6]C[5,6a]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6,6a]C[5,6,6]C[6,6a])(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(O[5]C[5,5,6,6])(C[6a]C[6,6a]O)	C[5,6a](C[5,5,6]C[5,5,6,6]C[5,6a]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6,6a]C[5,6,6]C[6,6a])(H){1|O<2>,4|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(O[5]C[5,5,6,6])(C[6a]C[6,6a]O){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	124.0550	0.000	1	124.0550	0.000	1	124.0550	0.000	1	119.9090	1.369	27	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:2:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Ge[5]-2:C[6a]-3:	C[5,6a](C[5,5,6]C[5,5,6]N[5,5,6]H)(C[5,6a]C[6a]Ge[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(Ge[5]N[5,5,6])(C[6a]C[6a]C)	C[5,6a](C[5,5,6]C[5,5,6]N[5,5,6]H)(C[5,6a]C[6a]Ge[5])(C[6a]C[6a]H){1|Ge<3>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|Ge<2>,1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(Ge[5]N[5,5,6])(C[6a]C[6a]C){1|Ge<3>,1|C<3>,2|C<4>,3|H<1>}	121.8750	0.000	1	121.8750	0.000	1	121.8750	0.000	1	119.9090	1.369	27	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:2:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-2:C[6a]-3:	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6])(C[6a]C[6a]H)	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6])(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	119.6520	0.000	1	119.6520	0.000	1	120.0770	0.361	2	119.9090	1.369	27	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:2:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-2:C[6a]-3:	C[5,6a](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6])(C[6a]C[6a]H)	C[5,6a](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	120.5020	0.000	1	120.5020	0.000	1	120.0770	0.361	2	119.9090	1.369	27	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:2:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(O[5]C[5,5,6])(C[6a]C[6a]H)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(O[5]C[5,5,6])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	120.0620	0.000	1	120.0620	0.000	1	120.0362	0.821	4	119.9090	1.369	27	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:2:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(O[5]C[5,5,6])(C[6a]C[6a]H)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(O[5]C[5,5,6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	120.9360	0.000	1	120.9360	0.000	1	120.0362	0.821	4	119.9090	1.369	27	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:2:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a](C[5,5,6]C[5,5,6]C[6]N[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(O[5]C[5,5,6])(C[6a]C[6a]H)	C[5,6a](C[5,5,6]C[5,5,6]C[6]N[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|S<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(O[5]C[5,5,6])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	118.7910	0.000	1	119.5735	1.225	2	120.0362	0.821	4	119.9090	1.369	27	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:2:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a](C[5,5,6]C[5,5,6]C[6]N[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(O[5]C[5,5,6])(C[6a]C[6a]H)	C[5,6a](C[5,5,6]C[5,5,6]C[6]N[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(O[5]C[5,5,6])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	120.3560	0.000	1	119.5735	1.225	2	120.0362	0.821	4	119.9090	1.369	27	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:2:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]N[6a]N[5])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[6a]C[6a,6a])(N[5]C[5]C[6])	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]N[6a]N[5])(C[6a]C[6a,6a]H){1|N<2>,1|O<1>,2|C<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5])(H){1|H<1>,1|N<2>,2|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[6a]C[6a,6a])(N[5]C[5]C[6]){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	118.8990	0.000	1	118.8990	0.000	1	118.8990	0.000	1	119.9090	1.369	27	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:2:3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-2:C[6a]-3:	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6])(C[6a]C[6a]H)	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,4|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6])(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	120.2130	0.000	1	119.7382	0.117	5	119.7382	0.117	5	119.9090	1.369	27	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:2:3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-2:C[6a]-3:	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6])(C[6a]C[6a]H)	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	119.5490	0.076	2	119.7382	0.117	5	119.7382	0.117	5	119.9090	1.369	27	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:2:3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-2:C[6a]-3:	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6])(C[6a]C[6a]H)	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6])(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	119.6900	0.400	2	119.7382	0.117	5	119.7382	0.117	5	119.9090	1.369	27	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:2:3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(O[5]C[5,6,6])(C[6a]C[6a]O)	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(O[5]C[5,6,6])(C[6a]C[6a]O){1|C<3>,3|C<4>,3|H<1>}	119.7290	0.000	1	119.7290	0.000	1	119.7414	0.122	5	119.9090	1.369	27	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:2:3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(O[5]C[5,6,6])(C[6a]C[6a]H)	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(O[5]C[5,6,6])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	119.8635	0.330	2	119.8635	0.109	2	119.7414	0.122	5	119.9090	1.369	27	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:2:3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(O[5]C[5,6,6])(C[6a]C[6a]H)	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(O[5]C[5,6,6])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	119.2230	0.000	1	119.2230	0.000	1	119.7414	0.122	5	119.9090	1.369	27	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:2:3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a](C[5,6,6]C[5,6,6]C[6]O[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(O[5]C[5,6,6])(C[6a]C[6a]H)	C[5,6a](C[5,6,6]C[5,6,6]C[6]O[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(O[5]C[5,6,6])(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<3>}	120.0280	0.000	1	120.0280	0.000	1	119.7414	0.122	5	119.9090	1.369	27	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:2:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]N[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[6a]C[6a])(N[5]C[5]C)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]N[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(N[6a]C[6a])(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	118.0810	0.000	1	118.0810	0.000	1	118.0810	0.000	1	119.9090	1.369	27	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	B[5,5a]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](B[5,5a]O[5a]2N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]B[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]B[5,5a]C[6a])(C[6a]C[6a]H)(N[5]N[5])	C[5,6a](B[5,5a]O[5a]2N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5,6a]B[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|O<2>}	C[5,6a](C[5,6a]B[5,5a]C[6a])(C[6a]C[6a]H)(N[5]N[5]){2|C<3>,2|H<1>,2|O<2>}	116.8290	0.033	2	116.8290	0.001	2	116.8290	0.001	2	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[3,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[3,5,6]C[3,6]C[5,6]C[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[3,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[5,6a](C[3,5,6]C[3,6]C[5,6]C[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[3,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.9600	0.000	1	120.9600	0.000	1	120.9600	0.000	1	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(O[5]C[3,5])	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(O[5]C[3,5]){1|C<3>,1|C<4>,4|H<1>}	120.0950	0.000	1	120.0950	0.000	1	120.0950	0.000	1	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(O[5]C[3x5])	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]N)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(O[5]C[3x5]){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.3750	0.000	2	120.3750	0.000	2	119.2206	0.385	14	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,3|C<4>,3|H<1>}	119.7360	0.088	2	119.5993	0.060	3	119.2206	0.385	14	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,3|C<4>,3|H<1>}	119.3260	0.000	1	119.5993	0.060	3	119.2206	0.385	14	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[3x5]C[5,6a]2P[3x5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(O[5]P[3x5])	C[5,6a](C[3x5]C[5,6a]2P[3x5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<2>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,1|P<5>,3|C<3>}	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(O[5]P[3x5]){2|O<2>,3|C<3>,3|H<1>}	118.9237	0.112	6	118.9237	0.013	6	119.2206	0.385	14	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[3x5]C[5,6a]2Si[3x5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(O[5]Si[3x5])	C[5,6a](C[3x5]C[5,6a]2Si[3x5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<3>,2|O<2>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]C)(H){1|Si<5>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(O[5]Si[3x5]){1|O<3>,2|H<1>,2|O<2>,3|C<3>}	118.6660	0.375	3	118.6660	0.140	3	119.2206	0.385	14	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.7950	0.000	1	120.7950	0.000	1	120.2825	0.525	2	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<2>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	119.7700	0.000	1	119.7700	0.000	1	120.2825	0.525	2	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[4,5]C[4,5]2C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(S[5]C[4,5])	C[5,6a](C[4,5]C[4,5]2C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(S[5]C[4,5]){2|C<3>,2|C<4>,3|H<1>}	118.0830	0.000	1	118.0830	0.000	1	118.0830	0.000	1	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,3x6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,3x6]C[4x6]C[5,6]C[6,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,3x6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[5,6a](C[5,3x6]C[4x6]C[5,6]C[6,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,3x6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,2|H<1>,3|C<4>}	120.6550	0.000	1	120.6550	0.000	1	120.6550	0.000	1	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6,6a]-3:O[5]-2:	C[5,6a](C[5,5,6,6]C[5,5,6]C[5,6]C[6,6])(C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6,6]C[5,6a])(C[6a]C[6,6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(C[6,6a]C[6,6a]C[6])(O[5]C[5,5,6])	C[5,6a](C[5,5,6,6]C[5,5,6]C[5,6]C[6,6])(C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,5,6,6]C[5,6a])(C[6a]C[6,6a]H)(H){1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(C[6,6a]C[6,6a]C[6])(O[5]C[5,5,6]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,5|C<3>}	120.2815	0.876	2	120.2815	0.768	2	120.2815	0.768	2	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[5,6a]C[5,6a]C[5,6])(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[5,6a]H)(N[5]C[5,6])	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[5,6a]C[5,6a]C[5,6])(H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[5,6a]H)(N[5]C[5,6]){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.2760	0.000	1	120.2760	0.000	1	120.2760	0.000	1	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	119.7340	0.000	1	119.7340	0.000	1	120.0186	0.254	5	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,2|H<1>,3|C<4>}	120.7420	0.000	1	120.5480	0.075	2	120.0186	0.254	5	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|Cl<1>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){2|C<3>,2|C<4>,2|H<1>}	120.3540	0.000	1	120.5480	0.075	2	120.0186	0.254	5	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,3|C<4>,3|H<1>}	119.6150	0.000	1	119.6315	0.001	2	120.0186	0.254	5	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,2|H<1>,3|C<4>}	119.6480	0.000	1	119.6315	0.001	2	120.0186	0.254	5	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,4|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	118.7000	0.000	1	118.7000	0.000	1	118.7000	0.000	1	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])2(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5,6a]H)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])2(H){2|C<4>,3|C<3>,4|O<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5,6a]H)(O[5]C[5,5]){1|H<1>,3|C<3>,3|O<2>}	120.5230	0.225	4	120.5230	0.051	4	120.6182	0.102	6	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])2(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5,6a]O)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H){1|C<4>,1|O<1>,2|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])2(H){2|C<4>,3|C<3>,4|O<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5,6a]O)(O[5]C[5,5]){1|H<1>,3|C<3>,3|O<2>}	120.8085	0.501	2	120.8085	0.251	2	120.6182	0.102	6	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,5]C[5,5]S[5]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]Br)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5])	C[5,6a](C[5,5]C[5,5]S[5]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]Br){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,2|H<1>,2|S<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5]){1|Br<1>,1|S<2>,2|C<3>,3|H<1>}	118.0560	0.000	1	118.0560	0.000	1	118.0560	0.000	1	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5])	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.4295	0.151	2	120.4295	0.023	2	120.5428	0.986	6	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	118.9770	0.000	1	118.9770	0.000	1	120.5428	0.986	6	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,5]C[5,6a]2N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]N[5])	C[5,6a](C[5,5]C[5,6a]2N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]N[5]){1|C<4>,2|H<1>,3|C<3>}	120.5810	0.000	1	121.3340	1.134	2	120.5428	0.986	6	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,5]C[5,6a]2N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]N[5])	C[5,6a](C[5,5]C[5,6a]2N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]N[5]){2|H<1>,4|C<3>}	122.0870	0.000	1	121.3340	1.134	2	120.5428	0.986	6	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]N[5])	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]N[5]){2|H<1>,3|C<3>}	120.7530	0.000	1	120.7530	0.000	1	120.5428	0.986	6	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,5]C[3,5]N[5]O[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[3,5])	C[5,6a](C[5,5]C[3,5]N[5]O[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[3,5]){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	119.8450	0.276	2	119.8450	0.076	2	120.0111	0.300	42	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,5]C[5,5]C[5,6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,5]C[5,6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	120.5190	0.000	1	120.5190	0.000	1	120.0111	0.300	42	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	120.5230	0.000	1	120.5230	0.000	1	120.0111	0.300	42	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	120.7890	0.000	1	120.7890	0.000	1	120.0111	0.300	42	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	120.3920	0.000	1	120.3920	0.000	1	120.0111	0.300	42	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	119.3130	0.000	1	119.3130	0.000	1	120.0111	0.300	42	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]F)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|F<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]F)(O[5]C[5,5]){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	121.1965	0.016	2	121.1965	0.000	2	120.0111	0.300	42	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	119.4910	0.000	1	119.5403	0.155	6	120.0111	0.300	42	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	119.4600	0.000	1	119.5403	0.155	6	120.0111	0.300	42	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,2|C<4>,4|H<1>}	119.4125	0.168	2	119.5403	0.155	6	120.0111	0.300	42	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	120.2940	0.000	1	119.5403	0.155	6	120.0111	0.300	42	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	119.1720	0.000	1	119.5403	0.155	6	120.0111	0.300	42	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(O[5]C[5,5]){2|C<3>,2|C<4>,3|H<1>}	119.3420	0.000	1	119.3420	0.000	1	120.0111	0.300	42	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){2|C<3>,2|C<4>,3|H<1>}	119.9920	0.000	1	119.4670	0.551	2	120.0111	0.300	42	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){3|C<3>,4|H<1>}	118.9420	0.000	1	119.4670	0.551	2	120.0111	0.300	42	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|O<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|H<1>,3|C<3>,3|O<2>}	119.5640	0.000	1	119.5640	0.000	1	120.0111	0.300	42	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,2|H<1>,4|C<3>}	119.4520	0.000	1	119.6388	0.047	4	120.0111	0.300	42	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|O<2>,2|H<1>,4|C<3>}	119.9170	0.000	1	119.6388	0.047	4	120.0111	0.300	42	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){2|H<1>,5|C<3>}	119.5930	0.153	2	119.6388	0.047	4	120.0111	0.300	42	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,5]C[5,5]N[5]N)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,5]N[5]N)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	120.3045	0.540	2	120.3045	0.291	2	120.0111	0.300	42	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,1|N<2>,1|O<2>,4|H<1>}	119.8670	0.000	1	119.8670	0.000	1	120.0111	0.300	42	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|O<2>,2|C<3>,4|H<1>}	120.5060	0.321	2	120.5060	0.103	2	120.0111	0.300	42	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|C<4>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	119.6020	0.000	1	119.6020	0.000	1	120.0111	0.300	42	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	119.8270	0.000	1	119.8270	0.000	1	120.0111	0.300	42	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]P)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<2>,1|P<4>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]P)(O[5]C[5,5]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	120.2507	0.222	4	120.2507	0.049	4	120.0111	0.300	42	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|N<3>,3|C<3>,3|H<1>}	119.7110	0.000	1	119.7110	0.000	1	120.0111	0.300	42	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|N<3>,3|C<3>,3|H<1>}	120.7110	0.000	1	120.5230	0.071	2	120.0111	0.300	42	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	120.3350	0.000	1	120.5230	0.071	2	120.0111	0.300	42	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]P)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,1|P<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]P)(O[5]C[5,5]){1|O<2>,2|C<3>,4|H<1>}	120.0155	0.356	2	120.0155	0.127	2	120.0111	0.300	42	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5]){1|N<2>,2|C<3>,4|H<1>}	120.4080	0.000	1	120.4080	0.000	1	120.0111	0.300	42	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5]){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	119.6160	0.000	1	120.0465	0.371	2	120.0111	0.300	42	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	120.4770	0.000	1	120.0465	0.371	2	120.0111	0.300	42	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,5]C[5,5]C[5]Fe)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(S[5]C[5,5])	C[5,6a](C[5,5]C[5,5]C[5]Fe)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|Fe<10>,1|C<3>,1|H<1>,1|S<2>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(S[5]C[5,5]){1|Fe<10>,1|C<3>,2|C<4>,2|H<1>}	119.7005	0.777	2	119.7005	0.604	2	120.2578	0.235	9	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5])	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<3>,1|S<2>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	120.3620	0.000	1	120.3620	0.000	1	120.2578	0.235	9	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5])	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	120.6350	0.000	1	120.4262	0.094	6	120.2578	0.235	9	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5])	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5]){1|O<2>,3|C<3>,3|H<1>}	120.3844	0.324	5	120.4262	0.094	6	120.2578	0.235	9	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[5,6a](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){2|C<3>,2|C<4>,2|H<1>}	120.2480	0.484	2	120.0637	0.219	3	120.0637	0.219	3	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[5,6a](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,2|H<1>,3|C<4>}	119.6950	0.000	1	120.0637	0.219	3	120.0637	0.219	3	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	118.8820	0.000	1	118.8820	0.000	1	119.2410	0.258	2	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]O)(O[5]C[5,6])	C[5,6a](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]O)(O[5]C[5,6]){2|C<3>,2|C<4>,3|H<1>}	119.6000	0.000	1	119.6000	0.000	1	119.2410	0.258	2	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(O[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H){2|C<3>,2|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(O[5]C[5,6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	120.7450	0.092	2	120.7450	0.008	2	119.8007	0.874	7	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[5,6a]C[5,6a]C[5,6])(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(O[5]C[5,6])	C[5,6a](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H){1|C<3>,2|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[5,6a]C[5,6a]C[5,6])(H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(O[5]C[5,6]){1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	119.2600	0.000	1	119.4230	0.684	5	119.8007	0.874	7	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[5,6a]C[5,6a]C[5,6])(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(O[5]C[5,6])	C[5,6a](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H){1|C<3>,2|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[5,6a]C[5,6a]C[5,6])(H){1|H<1>,1|O<2>,2|C<3>,2|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(O[5]C[5,6]){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	119.4638	0.949	4	119.4230	0.684	5	119.8007	0.874	7	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(Br){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|Br<1>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	118.5360	0.836	2	118.5360	0.699	2	118.5360	0.699	2	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl){1|C<4>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>,2|N<3>}	117.9410	0.000	1	117.9410	0.000	1	117.9410	0.000	1	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,6]C[6a])(N[6a]C[6a])	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,6]C[6a])(N[6a]C[6a]){2|H<1>,5|C<3>}	118.8677	0.479	6	118.8677	0.229	6	118.8677	0.229	6	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6]C[4,6]C[5,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[5,6a](C[5,6]C[4,6]C[5,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){2|C<3>,2|C<4>,2|H<1>}	120.4630	0.140	4	120.4630	0.020	4	120.3872	0.179	29	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,2|H<1>,3|C<4>}	119.2720	0.000	1	120.0030	1.069	2	120.3872	0.179	29	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	120.7340	0.000	1	120.0030	1.069	2	120.3872	0.179	29	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6]C[5,6]C[5a]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(N[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[5a]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(N[5]C[5,6]){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	120.9020	0.000	1	120.9020	0.000	1	120.3872	0.179	29	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6]C[5,6]C[6,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,2|H<1>,3|C<4>}	120.0220	0.000	1	120.0220	0.000	1	120.3872	0.179	29	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,2|H<1>,3|C<4>}	120.5970	0.000	1	120.5970	0.000	1	120.3872	0.179	29	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,2|H<1>,3|C<4>}	119.9710	0.525	2	120.3429	0.144	13	120.3872	0.179	29	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,2|H<1>,3|C<4>}	120.3588	0.216	6	120.3429	0.144	13	120.3872	0.179	29	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.5185	0.368	2	120.3429	0.144	13	120.3872	0.179	29	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.2020	0.000	1	120.3429	0.144	13	120.3872	0.179	29	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,2|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.5620	0.795	2	120.3429	0.144	13	120.3872	0.179	29	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]S)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]S)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,2|H<1>,3|C<4>}	120.4780	0.000	1	120.4780	0.000	1	120.3872	0.179	29	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.0510	0.000	1	120.4645	0.688	2	120.3872	0.179	29	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	119.8780	0.000	1	120.4645	0.688	2	120.3872	0.179	29	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){2|H<1>,4|C<3>}	121.1390	0.000	1	121.1390	0.000	1	120.3872	0.179	29	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.1730	0.000	1	120.1730	0.000	1	120.3872	0.179	29	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<4>,2|C<3>,3|H<1>}	120.4760	0.000	1	120.4760	0.000	1	120.3872	0.179	29	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<4>,2|C<3>,3|H<1>}	120.1960	0.000	1	120.1960	0.000	1	120.3872	0.179	29	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	118.3910	0.000	1	118.3910	0.000	1	119.8929	1.080	27	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<2>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	121.3640	0.000	1	121.3640	0.000	1	119.8929	1.080	27	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){2|C<3>,2|C<4>,3|H<1>}	119.8850	0.000	1	118.8215	2.262	2	119.8929	1.080	27	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	117.7580	0.000	1	118.8215	2.262	2	119.8929	1.080	27	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[5]C[5,6]){2|C<3>,2|C<4>,3|H<1>}	120.9440	0.000	1	120.9440	0.000	1	119.8929	1.080	27	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]S)(O[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|Br<1>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]S)(O[5]C[5,6]){1|C<3>,3|C<4>,3|H<1>}	120.6850	0.000	1	120.8645	0.064	2	119.8929	1.080	27	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]S)(O[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|Br<1>,1|S<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]S)(O[5]C[5,6]){1|C<4>,3|C<3>,3|H<1>}	121.0440	0.000	1	120.8645	0.064	2	119.8929	1.080	27	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	117.9000	0.000	1	117.9000	0.000	1	119.8929	1.080	27	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<4>,2|C<3>,4|H<1>}	120.5665	0.678	2	119.6461	0.743	8	119.8929	1.080	27	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	119.2630	0.000	1	119.6461	0.743	8	119.8929	1.080	27	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	119.7610	0.000	1	119.6461	0.743	8	119.8929	1.080	27	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	118.8303	0.251	3	119.6461	0.743	8	119.8929	1.080	27	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){3|C<3>,4|H<1>}	120.5210	0.000	1	119.6461	0.743	8	119.8929	1.080	27	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){2|C<3>,2|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[5]C[5,6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	120.3840	0.000	1	120.3840	0.000	1	119.8929	1.080	27	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]N)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,2|C<4>,4|H<1>}	121.0080	0.000	1	120.5475	0.424	2	119.8929	1.080	27	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]N)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	120.0870	0.000	1	120.5475	0.424	2	119.8929	1.080	27	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6]C[5,6]N[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6]C[5,6]N[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	119.1760	0.000	1	119.1760	0.000	1	119.8929	1.080	27	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6]C[5,6]O[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6]C[5,6]O[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<3>,2|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	120.6283	0.660	3	120.6283	0.436	3	119.8929	1.080	27	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	120.8390	0.000	1	120.8390	0.000	1	119.8929	1.080	27	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	118.9180	0.000	1	118.9180	0.000	1	119.8929	1.080	27	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6]C[6,6a]C[5,6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6]C[6,6a]C[5,6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	119.8770	0.000	1	119.8770	0.000	1	119.8929	1.080	27	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){4|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	119.7950	0.000	1	119.7950	0.000	1	119.8929	1.080	27	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Br)(S[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Br)(S[5]C[5,6]){2|C<3>,2|C<4>,3|H<1>}	119.1470	0.000	1	119.1470	0.000	1	119.3055	0.050	2	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C)(S[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C)(S[5]C[5,6]){2|C<3>,2|C<4>,3|H<1>}	119.4640	0.000	1	119.4640	0.000	1	119.3055	0.050	2	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5,5])	C[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5,5]){1|O<2>,2|H<1>,4|C<3>}	120.1080	0.000	1	120.1080	0.000	1	120.1080	0.000	1	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5]C[5x3,5x5,20x6]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5]C[5x3,5x5,20x6]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|C<6>,2|H<1>,4|B<6>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|C<6>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<6>,2|C<4>,2|H<1>}	120.3010	0.000	1	120.3010	0.000	1	120.3010	0.000	1	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5]B[5,6a]N[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]B[5,6a])	C[5,6a](C[5]B[5,6a]N[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|N<4>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]B[5,6a]){1|C<3>,1|N<4>,2|O<2>,3|H<1>}	119.0530	0.000	1	119.0530	0.000	1	119.7513	0.830	6	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5]C[5,5]C[5a]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5]C[5,5]C[5a]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	119.5080	0.000	1	119.5080	0.000	1	119.7513	0.830	6	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	119.5350	0.000	1	119.2955	0.115	2	119.7513	0.830	6	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){3|H<1>,4|C<3>}	119.0560	0.000	1	119.2955	0.115	2	119.7513	0.830	6	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5,5])	C[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5,5]){3|H<1>,4|C<3>}	119.8550	0.000	1	119.8550	0.000	1	119.7513	0.830	6	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5]C[6a]C[5]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5]C[6a]C[5]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	121.5010	0.000	1	121.5010	0.000	1	119.7513	0.830	6	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	P[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](P[5,5]C[5,6a]Ga[5,5]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(S[5]Ga[5,5])	C[5,6a](P[5,5]C[5,6a]Ga[5,5]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]P[5,5])(C[6a]C[6a]H)(H){1|Ga<4>,1|H<1>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(S[5]Ga[5,5]){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	120.0663	0.343	6	120.0204	0.094	8	120.0569	0.240	16	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	P[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](P[5,5]C[5,6a]Ga[5,5]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(S[5]Ga[5,5])	C[5,6a](P[5,5]C[5,6a]Ga[5,5]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,2|S<2>,5|C<3>}	C[6a](C[5,6a]C[5,6a]P[5,5])(C[6a]C[6a]H)(H){1|Ga<4>,1|H<1>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(S[5]Ga[5,5]){2|H<1>,2|S<2>,3|C<3>}	119.8825	0.139	2	120.0204	0.094	8	120.0569	0.240	16	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	P[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](P[5,5]C[5,6a]Ge[4x5]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(S[5]Ge[4x5])	C[5,6a](P[5,5]C[5,6a]Ge[4x5]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|P<4>,2|H<1>,3|S<2>,5|C<3>}	C[6a](C[5,6a]C[5,6a]P[5,5])(C[6a]C[6a]H)(H){1|Ge<6>,1|H<1>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(S[5]Ge[4x5]){1|P<4>,2|H<1>,3|C<3>,3|S<2>}	120.5215	0.314	4	120.5215	0.099	4	120.0569	0.240	16	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	P[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](P[5,5]C[5,6a]In[4x5]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(S[5]In[4x5])	C[5,6a](P[5,5]C[5,6a]In[4x5]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|P<4>,2|H<1>,3|S<2>,5|C<3>}	C[6a](C[5,6a]C[5,6a]P[5,5])(C[6a]C[6a]H)(H){1|In<6>,1|H<1>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(S[5]In[4x5]){1|P<4>,2|H<1>,3|C<3>,3|S<2>}	119.6653	0.622	4	119.6653	0.387	4	120.0569	0.240	16	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	P[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](P[5,6]C[5,6]C[6]S)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]P[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](P[5,6]C[5,6]C[6]S)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]P[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<1>,1|S<2>,2|C<4>}	C[5,6a](C[5,6a]P[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|C<3>,1|S<1>,2|C<4>,3|H<1>}	120.2840	0.000	1	120.2840	0.000	1	120.2840	0.000	1	119.9151	0.718	199	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	As[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](As[5]C[5,6a]C[6a]Pd)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]As[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]As[5]C[6a])(C[6a]C[6a]H)	C[5,6a](As[5]C[5,6a]C[6a]Pd)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]As[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]As[5]C[6a])(C[6a]C[6a]H){1|Pd<4>,3|H<1>,4|C<3>}	120.9990	0.669	2	120.9990	0.447	2	121.5832	1.018	20	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	As[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](As[5]C[5,6a]C[6a]Pt)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]As[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]As[5]C[6a])(C[6a]C[6a]H)	C[5,6a](As[5]C[5,6a]C[6a]Pt)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]As[5])(C[6a]C[6a]H)(H){1|Pt<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]As[5]C[6a])(C[6a]C[6a]H){1|Pt<4>,3|H<1>,4|C<3>}	121.6482	1.033	18	121.6482	1.067	18	121.5832	1.018	20	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	B[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a](B[5,5]C[5,6a]2N[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,6]N[5,6]C[6])(C[6a]C[6a]H)	C[5,6a](B[5,5]C[5,6a]2N[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,6]N[5,6]C[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	117.8930	0.000	1	117.8930	0.000	1	117.8930	0.000	1	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	B[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](B[5,5]C[5,6a]2N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](B[5,5]C[5,6a]2N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,5]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	118.2350	0.021	2	118.2350	0.000	2	118.2350	0.000	2	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	B[5,5a]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](B[5,5a]C[5,6a]N[5a,6]O[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]F)	C[6a](C[5,6a]B[5,5a]C[5,6a])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]B[5,5a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]F)	C[5,6a](B[5,5a]C[5,6a]N[5a,6]O[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]F){2|F<1>,6|C<3>}	C[6a](C[5,6a]B[5,5a]C[5,6a])(C[6a]C[6a]F)(F){1|F<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]B[5,5a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]F){1|N<3>,1|O<2>,3|C<3>,3|F<1>}	119.1165	0.275	2	119.1165	0.076	2	119.1165	0.076	2	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	B[5,5a]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](B[5,5a]C[5,6a]N[5a,6]O[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]B[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]B[5,5a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](B[5,5a]C[5,6a]N[5a,6]O[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[5,6a]B[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]B[5,5a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	118.7880	0.144	4	118.7880	0.021	4	118.7880	0.021	4	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	B[5,5a]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:B[5]-3:	C[5,6a](B[5,5a]N[5a,6]O[5a]O[5])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[6a](C[5,6a]B[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]B[5,5a]C[6a])(C[6a]C[6a]H)(B[5]O[5]O)	C[5,6a](B[5,5a]N[5a,6]O[5a]O[5])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]B[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,1|N<3>,2|O<2>}	C[5,6a](C[5,6a]B[5,5a]C[6a])(C[6a]C[6a]H)(B[5]O[5]O){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	120.2020	0.000	1	120.2020	0.000	1	120.2020	0.000	1	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	B[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](B[5,6]C[5,6a]N[5a,6]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]F)	C[6a](C[5,6a]C[5,6a]B[5,6])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,6]C[6a])(C[6a]C[6a]F)	C[5,6a](B[5,6]C[5,6a]N[5a,6]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]F){2|F<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]B[5,6])(C[6a]C[6a]F)(F){1|F<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,6]C[6a])(C[6a]C[6a]F){2|N<3>,3|C<3>,3|F<1>}	118.5930	0.583	4	118.5930	0.340	4	118.5930	0.340	4	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	B[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](B[5,6]C[5,6a]C[6]P[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](B[5,6]C[5,6a]C[6]P[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){3|C<4>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]B[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|P<4>,3|C<3>,3|H<1>}	117.5090	0.557	2	117.5090	0.310	2	118.4422	0.632	22	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	B[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](B[5,6]C[5,6a]N[5,6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](B[5,6]C[5,6a]N[5,6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]B[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	118.4790	0.169	6	118.4790	0.029	6	118.4422	0.632	22	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	B[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](B[5,6]C[5,6a]N[5a,6]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](B[5,6]C[5,6a]N[5a,6]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]B[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H){2|N<3>,3|C<3>,3|H<1>}	118.3543	0.186	6	118.3543	0.035	6	118.4422	0.632	22	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	B[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](B[5,6]C[5,6a]N[6,6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](B[5,6]C[5,6a]N[6,6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]B[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	118.0685	0.663	2	118.0685	0.439	2	118.4422	0.632	22	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	B[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](B[5,6]C[5,6a]N[6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](B[5,6]C[5,6a]N[6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]B[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	118.9288	1.320	6	118.9288	1.743	6	118.4422	0.632	22	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	B[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:B[5]-3:	C[5,6a](B[5,6]N[5a,6]O[5]O[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H)(B[5]O[5]O)	C[5,6a](B[5,6]N[5a,6]O[5]O[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]B[5,6])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,1|N<3>,2|O<2>}	C[5,6a](C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H)(B[5]O[5]O){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	119.0955	0.394	2	119.0955	0.155	2	119.0955	0.155	2	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	B[5,6a]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a](B[5,6a]C[6a,6a]2N[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]B[5,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]B[5,6a]C[6a])(C[5,6]N[5,6]C[6])(C[6a]C[6a]H)	C[5,6a](B[5,6a]C[6a,6a]2N[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[5,6a]B[5,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]B[5,6a]C[6a])(C[5,6]N[5,6]C[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	117.6265	0.183	2	117.6265	0.034	2	117.6265	0.034	2	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	B[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](B[5]C[5,6a]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]F)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]F)	C[5,6a](B[5]C[5,6a]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]F){2|C<4>,2|F<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(F){1|F<1>,1|O<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]F){1|O<3>,3|F<1>,4|C<3>}	118.3150	0.335	4	118.3150	0.112	4	118.3150	0.112	4	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	B[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](B[5]C[5,6a]C[6a]N[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[5,6a](B[5]C[5,6a]C[6a]N[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	117.8190	0.925	6	117.8190	0.856	6	117.8190	0.856	6	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[3,5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[3,5,5,6]C[3,5,6]C[3,5]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[3,5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5,5,6]C[6a])(N[5]C[3,5,6]S)(C[6a]C[6a]H)	C[5,6a](C[3,5,5,6]C[3,5,6]C[3,5]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|S<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[3,5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[3,5,5,6]C[6a])(N[5]C[3,5,6]S)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	119.8890	0.000	1	119.8890	0.000	1	119.8890	0.000	1	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[3,5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[3,5,5]C[3,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[3,5,5]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5,5]C[6a])(C[6a]C[6a]H)(N[5]C[3,5]C)	C[5,6a](C[3,5,5]C[3,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,4|C<3>,5|H<1>}	C[6a](C[5,6a]C[3,5,5]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[3,5,5]C[6a])(C[6a]C[6a]H)(N[5]C[3,5]C){1|C<3>,2|C<4>,3|H<1>}	120.6420	0.344	2	120.6420	0.118	2	120.6420	0.118	2	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[3,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[3,5,6]C[3,5]C[3,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[3,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[3,5]C)	C[5,6a](C[3,5,6]C[3,5]C[3,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[5,6a]C[3,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[3,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[3,5]C){1|C<3>,2|C<4>,3|H<1>}	120.2630	0.345	2	120.2630	0.119	2	120.2630	0.119	2	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[3,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[3,5,6]C[3x5,6,6]C[3,6]C[3])(C[5,6a]N[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[3,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5,6]C[3x5,6,6]C[5,6])(C[5,6a]C[3,5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[3,5,6]C[3x5,6,6]C[3,6]C[3])(C[5,6a]N[5,5,6]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[3,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](N[5,5,6]C[3x5,6,6]C[5,6])(C[5,6a]C[3,5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	119.1120	0.000	1	119.1120	0.000	1	119.1120	0.000	1	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]O)(C[6a]C[6a]H)	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|O<1>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,4|H<1>}	119.5570	0.000	1	119.5570	0.000	1	119.5570	0.000	1	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[3,5]C[3,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[3,5]C[3,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	119.7530	0.000	1	119.2545	0.497	2	120.1020	1.171	25	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[3,5]C[3,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[3,5]C[3,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	118.7560	0.000	1	119.2545	0.497	2	120.1020	1.171	25	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[3,5]C[3,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S)	C[5,6a](C[3,5]C[3,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	118.8150	1.452	2	118.8150	2.109	2	120.1020	1.171	25	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[3,5]C[3,5]C[3]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[3,5]C)	C[5,6a](C[3,5]C[3,5]C[3]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[3,5]C){1|C<3>,2|C<4>,3|H<1>}	119.7980	0.000	1	119.7980	0.000	1	120.1020	1.171	25	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.3350	0.000	1	119.3350	0.000	1	120.1020	1.171	25	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C)	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.7210	0.000	1	120.7210	0.000	1	120.1020	1.171	25	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	118.8990	0.000	1	118.8990	0.000	1	120.1020	1.171	25	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.5950	0.000	1	119.4285	0.055	2	120.1020	1.171	25	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.2620	0.000	1	119.4285	0.055	2	120.1020	1.171	25	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[3,5]C[3,5]N[3]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[3,5]S)	C[5,6a](C[3,5]C[3,5]N[3]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|S<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[3,5]S){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.7550	0.000	1	119.7550	0.000	1	120.1020	1.171	25	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[3,5]C[3,6]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[3,5]C[3,6]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	118.5660	0.000	1	118.5660	0.000	1	120.1020	1.171	25	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[3,5]C[3]C[5]N[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]F)(N[5]C[5]C)	C[5,6a](C[3,5]C[3]C[5]N[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|F<1>,1|O<1>,1|S<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]F)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	121.0340	0.000	1	121.0340	0.000	1	120.1020	1.171	25	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[3,5]C[3]C[5]N[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[3,5]C[3]C[5]N[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	120.5500	0.387	2	120.5500	0.150	2	120.1020	1.171	25	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]C)	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	122.2225	0.542	2	122.2225	0.294	2	120.1020	1.171	25	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.7227	0.807	3	120.7227	0.652	3	120.1020	1.171	25	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.3310	0.000	1	120.6305	0.179	2	120.1020	1.171	25	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.9300	0.000	1	120.6305	0.179	2	120.1020	1.171	25	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]I)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|I<1>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]I)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.1573	0.660	3	120.1573	0.436	3	120.1020	1.171	25	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(N[5]C[3,5,5]S)(C[6a]C[6a]H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[3,5]C[6a])(N[5]C[3,5,5]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	120.3443	0.150	3	120.3443	0.023	3	120.4030	0.029	4	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[3,5]C[3,5,6]C[3,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(N[5]C[3,5,6]C)(C[6a]C[6a]H)	C[5,6a](C[3,5]C[3,5,6]C[3,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(N[5]C[3,5,6]C)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	120.5790	0.000	1	120.5790	0.000	1	120.4030	0.029	4	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[3x5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[3x5,6,6]C[5,5,3x6]C[5,3x6]C[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[3x5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3x5,6,6]C[6a])(N[5]C[5,5,3x6]C)(C[6a]C[6a]H)	C[5,6a](C[3x5,6,6]C[5,5,3x6]C[5,3x6]C[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|C<4>,4|H<1>}	C[6a](C[5,6a]C[3x5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[3x5,6,6]C[6a])(N[5]C[5,5,3x6]C)(C[6a]C[6a]H){1|C<3>,2|H<1>,4|C<4>}	122.5510	0.000	1	122.5510	0.000	1	122.5510	0.000	1	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[3x5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[3x5,6]C[5,6a])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[3x5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]Br)	C[5,6a](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|Br<1>,1|C<3>,1|N<3>,1|O<2>,3|H<1>,4|C<4>}	C[6a](C[5,6a]C[3x5,6]C[5,6a])(C[6a]C[6a]Br)(H){1|C<3>,1|N<3>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[3x5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]Br){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	122.1190	0.000	1	122.1190	0.000	1	119.9406	0.755	12	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[3x5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[3x5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3x5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	C[5,6a](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|C<4>,5|H<1>}	C[6a](C[5,6a]C[3x5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[3x5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	120.5585	0.680	2	119.7425	0.313	11	119.9406	0.755	12	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[3x5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[3x5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3x5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	C[5,6a](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|C<4>,5|H<1>}	C[6a](C[5,6a]C[3x5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[3x5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	119.4585	0.200	8	119.7425	0.313	11	119.9406	0.755	12	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[3x5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[3x5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3x5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	C[5,6a](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6a](C[5,6a]C[3x5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[3x5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	120.3830	0.000	1	119.7425	0.313	11	119.9406	0.755	12	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[3x5]C[3x5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[5]C[3x5]O)(C[6a]C[6a]H)	C[5,6a](C[3x5]C[3x5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[3x5]C[6a])(C[5]C[3x5]O)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	120.8640	0.000	1	120.2355	0.790	2	120.3450	0.431	3	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[3x5]C[3x5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[5]C[3x5]O)(C[6a]C[6a]H)	C[5,6a](C[3x5]C[3x5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[3x5]C[6a])(C[5]C[3x5]O)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	119.6070	0.000	1	120.2355	0.790	2	120.3450	0.431	3	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[3x5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[3x5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3x5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	120.5640	0.000	1	120.5640	0.000	1	120.3450	0.431	3	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[3x5]C[3x5]C[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]C)	C[5,6a](C[3x5]C[3x5]C[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,4|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	119.8060	0.000	1	119.8060	0.000	1	120.2907	0.160	16	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]H)	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,7|H<1>}	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	120.0880	0.000	1	120.1353	0.071	3	120.2907	0.160	16	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]H)	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	120.1590	0.373	2	120.1353	0.071	3	120.2907	0.160	16	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]S)	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|S<4>,2|C<3>,3|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]S){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	120.5780	0.000	1	120.1187	0.159	3	120.2907	0.160	16	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]S)	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|C<3>,3|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]S){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	119.8580	0.000	1	120.1187	0.159	3	120.2907	0.160	16	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]S)	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]S){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	119.9200	0.000	1	120.1187	0.159	3	120.2907	0.160	16	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,4|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){2|C<3>,2|C<4>,3|H<1>}	120.7940	0.000	1	120.7940	0.000	1	120.2907	0.160	16	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|C<4>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	120.6510	0.279	4	120.3977	0.204	6	120.2907	0.160	16	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|N<3>,7|H<1>}	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	119.9850	0.000	1	120.3977	0.204	6	120.2907	0.160	16	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|N<3>,3|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	119.7970	0.000	1	120.3977	0.204	6	120.2907	0.160	16	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|O<2>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	120.1780	0.000	1	120.4515	0.150	2	120.2907	0.160	16	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,1|S<4>,4|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){2|C<3>,2|C<4>,3|H<1>}	120.7250	0.000	1	120.4515	0.150	2	120.2907	0.160	16	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[4,5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[4,5,5,6]C[4,5,5]C[4,6]O[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[4,5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5,5,6]C[6a])(C[5]C[4,5,5]O)(C[6a]C[6a]H)	C[5,6a](C[4,5,5,6]C[4,5,5]C[4,6]O[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[4,5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[4,5,5,6]C[6a])(C[5]C[4,5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	120.3860	0.000	1	120.3860	0.000	1	120.3860	0.000	1	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[4,5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[4,5,5]C[4,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[4,5,5]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C)	C[5,6a](C[4,5,5]C[4,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,6|H<1>}	C[6a](C[5,6a]C[4,5,5]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[4,5,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C){1|C<3>,3|C<4>,3|H<1>}	120.0730	0.000	1	119.8845	0.071	2	119.8845	0.071	2	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[4,5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[4,5,5]C[4,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[4,5,5]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C)	C[5,6a](C[4,5,5]C[4,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){3|C<3>,3|C<4>,5|H<1>}	C[6a](C[5,6a]C[4,5,5]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[4,5,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C){2|C<3>,2|H<1>,3|C<4>}	119.6960	0.000	1	119.8845	0.071	2	119.8845	0.071	2	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[4,5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[4,5,5]C[4,5,5]C[4]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[4,5,5]C[5,6a])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[4,5,5]C[6a])(N[5]C[4,5,5]C)(C[6a]C[6a]H)	C[5,6a](C[4,5,5]C[4,5,5]C[4]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[4,5,5]C[5,6a])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[4,5,5]C[6a])(N[5]C[4,5,5]C)(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	120.0050	0.000	1	120.0050	0.000	1	120.0050	0.000	1	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[4,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[4,5,6]C[4,5,6,6]C[4]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[4,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5,6]C[6a])(N[5,6]C[4,5,6,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[4,5,6]C[4,5,6,6]C[4]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[4,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[4,5,6]C[6a])(N[5,6]C[4,5,6,6]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	120.4410	0.000	1	120.4410	0.000	1	120.4410	0.000	1	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[4,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[4,5,6]C[4,5,6]C[4,5]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[4,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5,6]C[6a])(N[5]C[4,5,6]C)(C[6a]C[6a]H)	C[5,6a](C[4,5,6]C[4,5,6]C[4,5]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[5,6a]C[4,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[4,5,6]C[6a])(N[5]C[4,5,6]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>,3|O<2>}	121.4470	0.000	1	121.4470	0.000	1	121.4470	0.000	1	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a](C[4,5]C[4,5]C[5,6]C[4])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	C[5,6a](C[4,5]C[4,5]C[5,6]C[4])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5,6]C[5,6]2)(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	121.4245	0.613	2	121.4245	0.376	2	121.4245	0.376	2	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[4,5]C[5,6a]C[4,5]C[4])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[4,5]C[5,6a]C[4,5]C[4])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	121.2435	0.029	2	120.5793	0.286	6	120.5180	0.226	8	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[4,5]C[5,6a]C[4,5]C[4])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[4,5]C[5,6a]C[4,5]C[4])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	120.2473	0.186	4	120.5793	0.286	6	120.5180	0.226	8	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[4,5]C[5,6a]C[4,5]Ge[4])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[4,5]C[5,6a]C[4,5]Ge[4])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,2|O<2>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|Ge<4>,1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H){1|Ge<4>,1|C<4>,3|C<3>,3|H<1>}	120.3340	0.247	2	120.3340	0.061	2	120.5180	0.226	8	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[4,5]C[4,5]2C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]O)(C[6a]C[6a]H)	C[5,6a](C[4,5]C[4,5]2C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	119.1165	0.500	15	119.2532	0.285	19	119.3759	0.370	22	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[4,5]C[4,5]2C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]O)(C[6a]C[6a]H)	C[5,6a](C[4,5]C[4,5]2C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	119.7657	0.313	4	119.2532	0.285	19	119.3759	0.370	22	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[4,5]C[4,5]C[4]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]O)(C[6a]C[6a]H)	C[5,6a](C[4,5]C[4,5]C[4]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]O)(C[6a]C[6a]H){3|H<1>,4|C<3>}	119.7390	0.000	1	119.7390	0.000	1	119.3759	0.370	22	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[4,5]C[4,5]C[4]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]P)(C[6a]C[6a]H)	C[5,6a](C[4,5]C[4,5]C[4]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|P<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]P)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	119.9860	0.000	1	119.9860	0.000	1	119.3759	0.370	22	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	120.7350	0.000	1	120.7350	0.000	1	119.3759	0.370	22	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[4,5]C[4,5]C[4]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[4,5]C[4,5]C[4]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){1|C<4>,2|C<3>,2|H<1>}	120.2820	0.000	1	120.2820	0.000	1	120.2600	0.001	2	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[4,5]C[4,6a]C[4]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[4,5]C[4,6a]C[4]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){1|C<4>,2|C<3>,2|H<1>}	120.2380	0.000	1	120.2380	0.000	1	120.2600	0.001	2	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[4,5]C[3,4]C[4,5]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]H)	C[5,6a](C[4,5]C[3,4]C[4,5]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){3|C<3>,3|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]H){2|C<3>,2|H<1>,3|C<4>}	120.1380	0.290	2	120.2593	0.086	3	120.3730	0.376	35	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[4,5]C[3,4]C[4,5]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]H)	C[5,6a](C[4,5]C[3,4]C[4,5]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){3|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]H){2|C<4>,2|H<1>,3|C<3>}	120.5020	0.000	1	120.2593	0.086	3	120.3730	0.376	35	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[4,5]C[3,4]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[4,5]C[3,4]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	121.1080	0.000	1	121.1080	0.000	1	120.3730	0.376	35	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[4,5]C[4,5,6]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[4,5]C[4,5,6]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.8390	0.000	1	120.3160	0.547	2	120.3730	0.376	35	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[4,5]C[4,5,6]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[4,5]C[4,5,6]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	119.7930	0.000	1	120.3160	0.547	2	120.3730	0.376	35	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[4,5]C[4,5]C[4]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C)	C[5,6a](C[4,5]C[4,5]C[4]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	119.7280	0.000	1	119.7280	0.000	1	120.3730	0.376	35	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[4,5]C[4,5]C[4]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C)	C[5,6a](C[4,5]C[4,5]C[4]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C){1|C<4>,2|C<3>,4|H<1>}	120.0400	0.000	1	120.0400	0.000	1	120.3730	0.376	35	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.9073	0.311	3	120.6612	0.217	12	120.3730	0.376	35	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.8670	0.000	1	120.6612	0.217	12	120.3730	0.376	35	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.6490	0.000	1	120.6612	0.217	12	120.3730	0.376	35	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.8430	0.476	4	120.6612	0.217	12	120.3730	0.376	35	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.2465	0.359	2	120.6612	0.217	12	120.3730	0.376	35	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	119.8320	0.000	1	120.6612	0.217	12	120.3730	0.376	35	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[4,5]C[4,5]C[6a]C[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]S)	C[5,6a](C[4,5]C[4,5]C[6a]C[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|S<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]S){1|F<1>,2|C<3>,2|C<4>,2|H<1>}	119.8370	0.000	1	119.8370	0.000	1	120.3730	0.376	35	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[4,5]C[4,6]C[4]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[4,5]C[4,6]C[4]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.1240	0.468	2	119.1240	0.219	2	120.3730	0.376	35	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.5530	0.000	1	119.5530	0.000	1	120.3730	0.376	35	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	120.4440	0.000	1	120.4440	0.000	1	120.3730	0.376	35	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	120.3630	0.000	1	120.6635	0.181	2	120.3730	0.376	35	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	120.9640	0.000	1	120.6635	0.181	2	120.3730	0.376	35	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	120.2153	0.535	6	120.2153	0.286	6	120.3730	0.376	35	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[4,5]C[4]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[4,5]C[4]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	121.5020	0.000	1	121.0665	0.379	2	120.3730	0.376	35	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[4,5]C[4]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[4,5]C[4]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.6310	0.000	1	121.0665	0.379	2	120.3730	0.376	35	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[4,5]C[4,5,6]C[4]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5,6]C[4,5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[4,5]C[4,5,6]C[4]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5,6]C[4,5,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	119.5350	0.000	1	119.5350	0.000	1	119.8495	0.198	2	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[4,5]C[4,5,6]N[4]C)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5,6]C[4,5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[4,5]C[4,5,6]N[4]C)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5,6]C[4,5,6]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	120.1640	0.000	1	120.1640	0.000	1	119.8495	0.198	2	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[4,5]C[5x3,4,5x5,20x6]C[4,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5]C[4,5]Si)(C[6a]C[6a]H)	C[5,6a](C[4,5]C[5x3,4,5x5,20x6]C[4,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|C<6>,3|H<1>,4|B<6>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<3>,1|C<6>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5]C[4,5]Si)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|C<6>,3|H<1>}	121.1860	0.000	1	121.1860	0.000	1	121.3082	0.919	6	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5]C[4,5]Si)(C[6a]C[6a]H)	C[5,6a](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|C<4>,1|C<6>,2|H<1>,4|B<6>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|C<6>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5]C[4,5]Si)(C[6a]C[6a]H){1|C<3>,2|C<6>,4|H<1>}	121.4420	0.000	1	121.4420	0.000	1	121.3082	0.919	6	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5]C[4,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<6>,2|C<3>,3|H<1>,4|B<6>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|C<6>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5]C[4,5]C[6a])(C[6a]C[6a]H){2|C<6>,3|C<3>,4|H<1>}	120.3715	0.363	2	120.3715	0.132	2	121.3082	0.919	6	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5]C[4,5]Si)(C[6a]C[6a]C)	C[5,6a](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|C<4>,1|C<6>,2|H<1>,4|B<6>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|C<6>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5]C[4,5]Si)(C[6a]C[6a]C){1|C<3>,2|C<6>,4|H<1>}	122.9260	0.000	1	122.9260	0.000	1	121.3082	0.919	6	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5]C[4,5]Si)(C[6a]C[6a]H)	C[5,6a](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Si<4>,1|C<6>,2|C<3>,2|H<1>,4|B<6>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|C<6>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5]C[4,5]Si)(C[6a]C[6a]H){2|C<3>,2|C<6>,3|H<1>}	121.5520	0.000	1	121.5520	0.000	1	121.3082	0.919	6	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[4,5]C[4,5]C[4]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[4,5])(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a,6a]F)(N[5]C[4,5]S)	C[5,6a](C[4,5]C[4,5]C[4]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H){1|C<4>,1|S<4>,2|C<3>,2|F<1>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[4,5])(H){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a,6a]F)(N[5]C[4,5]S){1|F<1>,1|H<1>,2|C<3>,3|C<4>}	121.0830	0.000	1	121.0830	0.000	1	121.0830	0.000	1	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,3x6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,3x6]C[5,5,6,6]C[5,6,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,3x6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,3x6]C[6a])(C[5]C[5,6,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,3x6]C[5,5,6,6]C[5,6,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,3x6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,3x6]C[6a])(C[5]C[5,6,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	119.8390	0.000	1	119.8390	0.000	1	120.2797	0.291	6	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,3x6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,3x6]C[5,6,6]3)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,3x6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,3x6]C[6a])(C[5]C[5,6,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,3x6]C[5,6,6]3)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,3x6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,3x6]C[6a])(C[5]C[5,6,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	120.3678	0.553	5	120.3678	0.305	5	120.2797	0.291	6	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,3x6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,3x6]C[5,6,6]C[6,6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,3x6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,3x6]C[6a])(N[5]C[5,6,6]C)(C[6a]C[6a]H)	C[5,6a](C[5,3x6]C[5,6,6]C[6,6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,3x6]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,3x6]C[6a])(N[5]C[5,6,6]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	119.9510	0.000	1	119.9510	0.000	1	119.9510	0.000	1	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,3x6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a](C[5,5,3x6]C[5,3x6]C[5,4x6]C[5,6])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,3x6]C[5,6a])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[5,5,3x6]C[6a])(C[5,6a]C[5,6a]O[5])(N[5]C[5,4x6]C)	C[5,6a](C[5,5,3x6]C[5,3x6]C[5,4x6]C[5,6])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,5,3x6]C[5,6a])(C[6a]C[5,6a]H)(H){1|C<3>,1|N<3>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,3x6]C[6a])(C[5,6a]C[5,6a]O[5])(N[5]C[5,4x6]C){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	122.9430	0.000	1	122.9430	0.000	1	122.9430	0.000	1	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5,6,6]C[5,5,6,6]C[3x6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6,6]C[5,6a])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(C[5]C[5,5,6,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,5,6,6]C[5,5,6,6]C[3x6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,3|C<3>,3|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,5,6,6]C[5,6a])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(C[5]C[5,5,6,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,4|C<4>}	120.0690	0.000	1	120.0690	0.000	1	120.3487	1.673	3	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6,6]C[5,6a])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(C[5]C[5,5,6,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,7|C<3>}	C[6a](C[5,6a]C[5,5,6,6]C[5,6a])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(C[5]C[5,5,6,6]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.2180	0.000	1	119.2180	0.000	1	120.3487	1.673	3	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5,6,6]C[5,5,6]C[5,6,6]O[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,5,6,6]C[5,5,6]C[5,6,6]O[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	121.7590	0.000	1	121.7590	0.000	1	120.3487	1.673	3	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5,6,6]C[5,3x6]C[5,6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	C[5,6a](C[5,5,6,6]C[5,3x6]C[5,6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<4>,3|C<3>,3|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){2|C<3>,2|H<1>,3|C<4>}	120.3270	0.000	1	120.3270	0.000	1	120.3270	0.000	1	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,5,6,6]C[5,3x6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(N[5]C[5,3x6]C)(C[6a]C[6a]H)	C[5,6a](C[5,5,6,6]C[5,3x6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,4|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(N[5]C[5,3x6]C)(C[6a]C[6a]H){1|C<3>,2|H<1>,4|C<4>}	120.2120	0.000	1	120.2120	0.000	1	120.3478	0.325	5	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,5,6,6]C[5,3x6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(N[5]C[5,3x6]H)(C[6a]C[6a]H)	C[5,6a](C[5,5,6,6]C[5,3x6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,4|C<4>,6|H<1>}	C[6a](C[5,6a]C[5,5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(N[5]C[5,3x6]H)(C[6a]C[6a]H){1|C<3>,2|H<1>,4|C<4>}	120.8180	0.000	1	120.8180	0.000	1	120.3478	0.325	5	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(N[5]C[5,5,6]S)(C[6a]C[6a]H)	C[5,6a](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[6a](C[5,6a]C[5,5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(N[5]C[5,5,6]S)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	119.4110	0.000	1	119.4110	0.000	1	120.3478	0.325	5	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,5,6,6]C[5,5,6,6]C[5,3x6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(N[5]C[5,3x6]H)(C[6a]C[6a]H)	C[5,6a](C[5,5,6,6]C[5,5,6,6]C[5,3x6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,4|C<4>,6|H<1>}	C[6a](C[5,6a]C[5,5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(N[5]C[5,3x6]H)(C[6a]C[6a]H){1|C<3>,2|H<1>,4|C<4>}	120.6880	0.000	1	120.6880	0.000	1	120.3478	0.325	5	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(N[5]C[5,5,6,6]C)(C[6a]C[6a]H)	C[5,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|N<3>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(N[5]C[5,5,6,6]C)(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	120.6100	0.000	1	120.6100	0.000	1	120.3478	0.325	5	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[5,6a]C[5,6a]C[5,6])(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[5,6a]H)(N[5]C[5,6]H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H){1|N<3>,2|C<3>,3|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[5,6a]C[5,6a]C[5,6])(H){1|H<1>,1|O<2>,2|C<3>,2|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[5,6a]H)(N[5]C[5,6]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.3468	0.207	4	120.3468	0.043	4	120.3468	0.043	4	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,5,6]O)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(H){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,5,6]O){2|C<3>,2|H<1>,3|C<4>}	119.7100	0.150	2	119.7100	0.022	2	119.7100	0.022	2	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>,6|C<4>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	117.8410	0.000	1	117.8410	0.000	1	117.8410	0.000	1	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5,6]C[3x5,6]C[5,5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[3x5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,5,6]C[3x5,6]C[5,5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[3x5,6]O)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	120.5010	0.000	1	120.5010	0.000	1	121.2353	0.816	8	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5,6]C[3x5,6]O[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[3x5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,5,6]C[3x5,6]O[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[3x5,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	121.6350	0.000	1	121.6350	0.000	1	121.2353	0.816	8	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	120.2520	0.000	1	120.2520	0.000	1	121.2353	0.816	8	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]N)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	121.4150	0.000	1	121.4150	0.000	1	121.2353	0.816	8	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]C[6a])(C[6a]C[6a]Cl)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|Cl<1>,2|C<4>,6|C<3>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]C[6a])(C[6a]C[6a]Cl){2|C<4>,2|H<1>,4|C<3>}	121.1960	0.000	1	121.1960	0.000	1	121.2353	0.816	8	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]Cl)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|Cl<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]Cl){1|C<4>,2|H<1>,5|C<3>}	123.1390	0.000	1	123.1390	0.000	1	121.2353	0.816	8	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5,6]C[5,5,6]N[5,6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,5,6]C[5,5,6]N[5,6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|N<3>,2|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	121.1180	0.000	1	121.1180	0.000	1	121.2353	0.816	8	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	120.6260	0.000	1	120.6260	0.000	1	121.2353	0.816	8	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5,6]C[5,5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[5,6a](C[5,5,6]C[5,5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){2|C<3>,2|C<4>,3|H<1>}	119.5880	0.000	1	119.5880	0.000	1	120.2453	0.518	60	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|N<3>,1|O<1>,1|S<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.9340	0.000	1	119.9340	0.000	1	120.2453	0.518	60	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.1950	0.000	1	120.1950	0.000	1	120.2453	0.518	60	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,4|C<4>,6|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,3|C<4>,3|H<1>}	120.4585	0.071	2	120.3443	0.042	3	120.2453	0.518	60	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,3|C<4>,3|H<1>}	120.1160	0.000	1	120.3443	0.042	3	120.2453	0.518	60	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<3>,3|C<4>,3|H<1>}	120.6810	0.000	1	120.6810	0.000	1	120.2453	0.518	60	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	118.9910	0.000	1	119.0170	0.001	2	120.2453	0.518	60	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.0430	0.000	1	119.0170	0.001	2	120.2453	0.518	60	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]Cl)(N[5]C[5,5]C)	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|Cl<1>,3|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]Cl)(N[5]C[5,5]C){2|C<3>,2|C<4>,3|H<1>}	123.4200	0.000	1	123.4200	0.000	1	120.2453	0.518	60	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,3|C<4>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]F)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){2|C<3>,2|C<4>,3|H<1>}	120.4150	0.000	1	120.4150	0.000	1	120.2453	0.518	60	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	120.2810	0.000	1	120.3755	0.018	2	120.2453	0.518	60	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){3|C<4>,4|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){2|C<3>,2|C<4>,3|H<1>}	120.4700	0.000	1	120.3755	0.018	2	120.2453	0.518	60	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,7|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	120.8060	0.000	1	120.1300	0.445	3	120.2453	0.518	60	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,4|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	120.1120	0.000	1	120.1300	0.445	3	120.2453	0.518	60	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	119.4720	0.000	1	120.1300	0.445	3	120.2453	0.518	60	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5,6]C[5,5]C[5,6]O[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,5,6]C[5,5]C[5,6]O[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.8090	0.000	1	120.8090	0.000	1	120.2453	0.518	60	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]C[6])(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,5|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]C[6])(H){1|N<3>,1|O<2>,3|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	120.1400	0.653	2	120.1400	0.427	2	120.2453	0.518	60	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,4|C<4>,6|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,3|C<4>,3|H<1>}	120.6043	0.542	7	120.4188	0.358	9	120.2453	0.518	60	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,4|C<4>,6|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	119.6810	0.000	1	120.4188	0.358	9	120.2453	0.518	60	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,3|C<4>,3|H<1>}	119.8580	0.000	1	120.4188	0.358	9	120.2453	0.518	60	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,7|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<3>,3|C<4>,3|H<1>}	120.4070	0.158	4	120.0682	0.200	17	120.2453	0.518	60	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){2|C<3>,2|C<4>,2|H<1>}	120.8990	0.000	1	120.0682	0.200	17	120.2453	0.518	60	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|S<2>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){2|C<3>,2|C<4>,2|H<1>}	119.7270	0.000	1	120.0682	0.200	17	120.2453	0.518	60	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){2|C<3>,2|C<4>,2|H<1>}	119.8507	0.376	10	120.0682	0.200	17	120.2453	0.518	60	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){2|C<3>,2|C<4>,3|H<1>}	120.3990	0.000	1	120.0682	0.200	17	120.2453	0.518	60	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)(N[5]C[5,6]H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,3|C<4>,6|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)(N[5]C[5,6]H){1|C<3>,3|C<4>,3|H<1>}	120.3460	0.000	1	120.8290	0.284	3	120.2453	0.518	60	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)(N[5]C[5,6]H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)(N[5]C[5,6]H){2|C<3>,2|C<4>,2|H<1>}	121.0705	0.467	2	120.8290	0.284	3	120.2453	0.518	60	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)(N[5]C[5,6]H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)(N[5]C[5,6]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.1583	0.884	3	120.1583	0.782	3	120.2453	0.518	60	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){2|C<3>,2|C<4>,3|H<1>}	120.5420	0.378	2	120.5420	0.143	2	120.2453	0.518	60	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){2|C<3>,2|C<4>,2|H<1>}	120.1650	0.000	1	120.2557	0.130	3	120.2453	0.518	60	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,7|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){2|C<3>,2|C<4>,3|H<1>}	120.6530	0.000	1	120.2557	0.130	3	120.2453	0.518	60	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	119.9490	0.000	1	120.2557	0.130	3	120.2453	0.518	60	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|S<4>,2|C<3>,2|C<4>,6|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<3>,3|C<4>,3|H<1>}	118.6400	0.000	1	118.9345	0.173	2	120.2453	0.518	60	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|S<4>,2|C<3>,3|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){2|C<3>,2|C<4>,2|H<1>}	119.2290	0.000	1	118.9345	0.173	2	120.2453	0.518	60	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5,6]C[5,6]2N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[5,6a](C[5,5,6]C[5,6]2N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	120.9490	0.000	1	120.9490	0.000	1	120.2453	0.518	60	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	C[5,6a](C[5,5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	120.6270	0.000	1	120.6270	0.000	1	120.2453	0.518	60	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,5,6]C[5,5,6,6]C[5,6a]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,5,6,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,5,6]C[5,5,6,6]C[5,6a]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,5,6,6]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	121.0550	0.000	1	121.0550	0.000	1	120.1723	0.531	68	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,4|C<4>,6|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H){1|C<3>,4|C<4>,5|H<1>}	120.6590	0.000	1	120.3591	0.146	16	120.1723	0.531	68	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<4>,4|C<4>,6|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H){1|C<3>,4|C<4>,5|H<1>}	120.6470	0.000	1	120.3591	0.146	16	120.1723	0.531	68	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	120.1030	0.000	1	120.3591	0.146	16	120.1723	0.531	68	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<4>,2|C<3>,3|C<4>,6|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	120.3335	0.403	13	120.3591	0.146	16	120.1723	0.531	68	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]O)	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|O<2>,4|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]O){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	121.1150	0.000	1	121.1150	0.000	1	120.1723	0.531	68	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	120.0667	0.381	10	120.1017	0.607	49	120.1723	0.531	68	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<4>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	120.1107	0.855	39	120.1017	0.607	49	120.1723	0.531	68	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	118.8190	0.000	1	118.8190	0.000	1	120.1723	0.531	68	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,5,6]C[3x5,6]C[5,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[3x5,6]C)(C[6a]C[6a]H)	C[5,6a](C[5,5,6]C[3x5,6]C[5,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[3x5,6]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	120.3380	0.000	1	120.3380	0.000	1	120.4702	0.218	28	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,5,6]C[3x5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[3x5,6]C)(C[6a]C[6a]H)	C[5,6a](C[5,5,6]C[3x5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[3x5,6]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	120.8590	0.000	1	120.8590	0.000	1	120.4702	0.218	28	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,5,6]C[5,5,6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6,6]C)(C[6a]C[6a]H)	C[5,6a](C[5,5,6]C[5,5,6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6,6]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	120.0160	0.000	1	120.0160	0.000	1	120.4702	0.218	28	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	120.0660	0.000	1	120.0660	0.000	1	120.4702	0.218	28	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	120.1882	0.340	4	120.1882	0.116	4	120.4702	0.218	28	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]S)(C[6a]C[6a]H)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|S<4>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	119.6930	0.000	1	119.6930	0.000	1	120.4702	0.218	28	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	120.3480	0.000	1	120.3480	0.000	1	120.4702	0.218	28	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,5,6]C[5,5,6]C[3,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	C[5,6a](C[5,5,6]C[5,5,6]C[3,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	121.4070	0.000	1	121.4070	0.000	1	120.4702	0.218	28	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	120.1160	0.000	2	120.1160	0.000	2	120.4702	0.218	28	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	120.5710	0.000	1	120.5710	0.000	1	120.4702	0.218	28	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,4|C<4>,6|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	120.5220	0.000	1	120.5394	0.184	5	120.4702	0.218	28	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	121.2800	0.000	1	120.5394	0.184	5	120.4702	0.218	28	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	120.3930	0.000	1	120.5394	0.184	5	120.4702	0.218	28	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	120.2510	0.028	2	120.5394	0.184	5	120.4702	0.218	28	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H)	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	120.1550	0.000	1	120.5062	0.123	4	120.4702	0.218	28	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H)	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,7|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	120.6233	0.321	3	120.5062	0.123	4	120.4702	0.218	28	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	120.5390	0.000	1	120.5390	0.000	1	120.4702	0.218	28	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H)	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	120.1620	0.000	1	120.1620	0.000	1	120.4702	0.218	28	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H)	C[5,6a](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	121.1300	0.537	2	121.1300	0.289	2	120.4702	0.218	28	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]S)(C[6a]C[6a]H)	C[5,6a](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|S<4>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]S)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	121.1990	0.000	1	121.1990	0.000	1	120.4702	0.218	28	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|Br<1>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	117.4120	0.000	1	117.4120	0.000	1	117.4120	0.000	1	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	121.6787	0.324	18	121.6787	0.105	18	121.6787	0.105	18	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,5a]2C[5,6a])(C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5a]2C[5,6a])(C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H){1|S<2>,2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	120.3290	0.335	2	120.3290	0.112	2	120.5842	0.089	5	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,5a]C[5,6a]2)(C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5a]C[5,6a]2)(C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	120.8830	0.000	1	120.8830	0.000	1	120.5842	0.089	5	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,5a]C[5,5a]O[5a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,5a]C[5,5a]O[5a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	120.6900	0.031	2	120.6900	0.001	2	120.5842	0.089	5	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,5,6]O[5]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,5,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5,6]O[5]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6]C[5,5,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	121.4405	0.525	2	121.4405	0.276	2	121.4405	0.276	2	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]C[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	119.2060	0.000	1	119.2060	0.000	1	120.3755	0.683	4	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[5,5]2)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5,5]2)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]H){2|H<1>,7|C<3>}	120.9240	0.000	1	120.9240	0.000	1	120.3755	0.683	4	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[5,5]2)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[5,5]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5,5]2)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|S<4>,2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[5,5]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,5|C<3>}	120.6860	0.433	2	120.6860	0.187	2	120.3755	0.683	4	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<2>,3|H<1>,4|C<3>}	120.4470	0.000	1	120.4470	0.000	1	120.8307	1.353	3	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|I<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|I<1>,2|H<1>,4|C<3>}	122.1370	0.000	1	121.0225	2.484	2	120.8307	1.353	3	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,7|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|I<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|I<1>,2|H<1>,5|C<3>}	119.9080	0.000	1	121.0225	2.484	2	120.8307	1.353	3	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[5,6a]O[5])(C[5]C[6a]C[5])	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[5,6a]H)(H){1|N<3>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[5,6a]O[5])(C[5]C[6a]C[5]){1|C<4>,1|H<1>,1|N<3>,1|O<2>,5|C<3>}	123.2210	0.000	1	123.2210	0.000	1	123.2210	0.000	1	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,5,6]C[5,6a]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5,6]C[5,6a]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	120.4355	0.206	2	120.4355	0.042	2	120.2684	0.708	110	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	120.2107	0.614	25	120.2107	0.377	25	120.2684	0.708	110	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,5,6a]C[5]C)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5,6a]C[5]C)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	120.7385	0.121	2	120.7385	0.015	2	120.2684	0.708	110	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,5,6a]N[5]C)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5,6a]N[5]C)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	119.8470	0.204	2	119.8470	0.041	2	120.2684	0.708	110	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,5a]C[5,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5a]C[5,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	121.1920	0.593	2	121.1920	0.351	2	120.2684	0.708	110	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|I<1>,2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	120.9898	0.486	4	120.8008	0.227	6	120.2684	0.708	110	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	120.4230	0.013	2	120.8008	0.227	6	120.2684	0.708	110	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C[6])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,8|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C[6])(H){1|C<2>,1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	122.2300	0.000	1	122.2300	0.000	1	120.2684	0.708	110	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	121.4190	0.000	1	121.4190	0.000	1	120.2684	0.708	110	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|I<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|I<1>,2|H<1>,5|C<3>}	122.0280	2.623	2	120.8498	4.226	4	120.2684	0.708	110	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,7|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|I<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|I<1>,2|H<1>,5|C<3>}	119.6715	0.491	2	120.8498	4.226	4	120.2684	0.708	110	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]2N[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]2N[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	120.9650	0.741	2	120.9650	0.549	2	120.2684	0.708	110	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[3,5]N[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[3,5]N[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<2>,4|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	120.5580	0.000	1	120.5580	0.000	1	120.2684	0.708	110	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[3,5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[3,5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,2|N<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	120.2055	0.087	2	120.2055	0.008	2	120.2684	0.708	110	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[3x5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|Br<1>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	121.1550	0.727	2	121.1550	0.528	2	120.2684	0.708	110	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[4,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[4,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	121.5225	0.071	2	121.5225	0.005	2	120.2684	0.708	110	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	120.0865	0.955	4	120.0865	0.912	4	120.2684	0.708	110	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|N<2>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	118.8990	0.242	2	118.8990	0.058	2	120.2684	0.708	110	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[5,5]N[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5,5]N[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	120.6265	1.036	2	120.6265	1.073	2	120.2684	0.708	110	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[5,5]N[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5,5]N[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,2|N<2>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	118.8630	0.000	1	118.8630	0.000	1	120.2684	0.708	110	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[5,5]S[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5,5]S[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	119.8757	0.541	4	119.8757	0.292	4	120.2684	0.708	110	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	120.6565	0.152	2	120.6565	0.023	2	120.2684	0.708	110	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	120.6395	0.771	2	120.3383	0.570	3	120.2684	0.708	110	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	119.7360	0.000	1	120.3383	0.570	3	120.2684	0.708	110	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,2|N<3>,7|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	120.5320	0.000	1	120.5320	0.000	1	120.2684	0.708	110	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[5,6]N[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5,6]N[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|C<3>,2|N<2>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	119.4225	0.001	2	119.4225	0.000	2	120.2684	0.708	110	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<2>,4|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	120.1090	0.174	2	120.1090	0.030	2	120.2684	0.708	110	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	120.5730	0.340	4	120.8363	0.236	6	120.2684	0.708	110	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	121.3630	0.011	2	120.8363	0.236	6	120.2684	0.708	110	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,2|N<2>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	119.0340	0.000	1	119.4785	0.128	6	120.2684	0.708	110	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|N<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	119.3890	0.516	2	119.4785	0.128	6	120.2684	0.708	110	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|C<3>,2|N<2>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	119.6863	0.128	3	119.4785	0.128	6	120.2684	0.708	110	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	119.3050	0.000	1	120.3110	0.942	3	120.2684	0.708	110	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	120.8140	0.605	2	120.3110	0.942	3	120.2684	0.708	110	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	120.8950	0.400	2	120.8950	0.160	2	120.2684	0.708	110	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]Ge[5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]Ge[5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,3|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|Ge<4>,1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|Ge<4>,1|C<4>,3|C<3>,3|H<1>}	119.4975	0.171	4	119.4975	0.029	4	120.2684	0.708	110	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){3|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	119.8870	0.115	2	119.8870	0.013	2	120.2684	0.708	110	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<2>,2|C<3>,2|H<1>,2|N<2>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	118.7350	0.000	1	119.4275	0.193	8	120.2684	0.708	110	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<3>,2|N<2>,3|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	119.4610	0.000	1	119.4275	0.193	8	120.2684	0.708	110	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|C<3>,2|N<2>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	119.5373	0.400	6	119.4275	0.193	8	120.2684	0.708	110	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]Si[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]Si[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,3|C<4>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H){1|Si<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|Si<4>,1|O<2>,3|C<3>,3|H<1>}	121.1195	0.047	2	121.1195	0.002	2	120.2684	0.708	110	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5]C[3x3,3x5,12x6]N[5,5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[3x3,3x5,12x6]N[5,5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Co<10>,1|C<3>,1|C<6>,1|O<1>,2|C<4>,2|H<1>,3|B<6>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<6>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|C<6>,1|O<2>,2|H<1>}	119.3400	0.000	1	119.3400	0.000	1	120.5152	0.469	107	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5]C[3x5]C[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[3x5]O)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[3x5]C[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[3x5]O)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	120.2520	0.161	5	120.2520	0.026	5	120.5152	0.469	107	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5]C[3x5]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[3x5]O)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[3x5]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[3x5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|N<3>}	120.2685	0.328	6	120.2685	0.108	6	120.5152	0.469	107	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5]C[3x5]O[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[3x5]O)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[3x5]O[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[3x5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	120.2510	0.253	6	120.2510	0.064	6	120.5152	0.469	107	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,5,6,6]C[5,6a]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5,6,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5,6,6]C[5,6a]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5,6,6]O)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	119.7600	0.000	1	119.7600	0.000	1	120.5152	0.469	107	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,5]B[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]B[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<3>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|B<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]H){1|B<4>,2|C<3>,3|H<1>}	120.1610	0.000	1	120.1610	0.000	1	120.5152	0.469	107	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,5]C[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]C[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	120.3680	0.000	2	120.3680	0.000	2	120.5152	0.469	107	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,2|C<3>,5|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	120.0330	0.000	1	120.0330	0.000	1	120.5152	0.469	107	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	119.5920	0.000	1	119.5920	0.000	1	120.5152	0.469	107	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	119.7140	0.000	1	120.2990	0.684	2	120.5152	0.469	107	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	120.8840	0.000	1	120.2990	0.684	2	120.5152	0.469	107	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,5]C[5]Fe)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]C[5]Fe)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|Fe<10>,1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|Fe<10>,1|C<3>,2|C<4>,2|H<1>}	120.0180	0.206	3	120.0180	0.042	3	120.5152	0.469	107	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	120.4630	0.000	1	120.4630	0.000	1	120.5152	0.469	107	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	120.5780	0.000	1	121.1180	0.218	5	120.5152	0.469	107	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	121.2530	0.411	4	121.1180	0.218	5	120.5152	0.469	107	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	118.3510	0.000	1	119.1370	0.495	3	120.5152	0.469	107	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	119.7090	0.000	1	119.1370	0.495	3	120.5152	0.469	107	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	119.3510	0.000	1	119.1370	0.495	3	120.5152	0.469	107	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	120.4450	0.000	1	120.4450	0.000	1	120.5152	0.469	107	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|Br<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>,2|O<2>}	120.1010	0.000	1	119.9715	0.034	2	120.5152	0.469	107	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	119.8420	0.000	1	119.9715	0.034	2	120.5152	0.469	107	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,3|O<2>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	120.7170	0.000	1	120.7170	0.000	1	120.5152	0.469	107	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,5]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,2|O<2>}	119.9610	0.000	1	119.9610	0.000	1	120.5152	0.469	107	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]H)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Ni<5>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	121.5320	0.000	1	121.5320	0.000	1	120.5152	0.469	107	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	120.0645	0.284	2	120.0645	0.080	2	120.5152	0.469	107	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,5]N[5]N)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]N[5]N)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>,2|N<3>}	120.4760	0.000	1	120.4760	0.000	1	120.5152	0.469	107	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,5]N[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]N[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<3>,2|O<2>}	120.4710	0.000	1	120.0169	0.071	9	120.5152	0.469	107	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,5]N[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]N[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,2|O<2>}	119.9146	0.193	7	120.0169	0.071	9	120.5152	0.469	107	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,5]N[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]N[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,2|O<2>}	120.2790	0.000	1	120.0169	0.071	9	120.5152	0.469	107	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,5]O[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]O[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	120.8670	0.000	1	120.7761	0.088	9	120.5152	0.469	107	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,5]O[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]O[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){2|C<3>,2|H<1>,3|O<2>}	120.7696	0.340	7	120.7761	0.088	9	120.5152	0.469	107	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,5]O[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]O[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<3>}	120.7310	0.000	1	120.7761	0.088	9	120.5152	0.469	107	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6,6]N[5,5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6,6]N[5,5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.5820	0.000	1	120.5820	0.000	1	120.5152	0.469	107	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	121.4900	0.000	1	121.4900	0.000	1	120.5152	0.469	107	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	120.3860	0.000	1	121.0457	0.334	3	120.5152	0.469	107	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,6|C<3>}	121.3755	0.120	2	121.0457	0.334	3	120.5152	0.469	107	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	121.7560	0.004	2	121.8733	0.041	3	120.5152	0.469	107	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|S<1>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,6|C<3>}	122.1080	0.000	1	121.8733	0.041	3	120.5152	0.469	107	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	121.8455	0.340	2	121.8455	0.116	2	120.5152	0.469	107	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|I<1>,1|S<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|I<1>,1|N<3>,2|H<1>,4|C<3>}	120.7500	0.000	1	121.6120	0.867	4	120.5152	0.469	107	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|I<1>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|I<1>,1|N<3>,2|H<1>,4|C<3>}	122.0755	1.193	2	121.6120	0.867	4	120.5152	0.469	107	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	121.5470	0.000	1	121.6120	0.867	4	120.5152	0.469	107	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	122.0040	0.000	1	122.0040	0.000	1	120.5152	0.469	107	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|I<1>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|I<1>,1|O<2>,2|H<1>,4|C<3>}	121.4550	0.000	1	121.4550	0.000	1	120.5152	0.469	107	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	120.5900	0.058	3	120.3687	0.210	10	120.5152	0.469	107	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	120.0057	0.682	3	120.3687	0.210	10	120.5152	0.469	107	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	120.7580	0.089	2	120.3687	0.210	10	120.5152	0.469	107	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	120.1920	0.195	2	120.3687	0.210	10	120.5152	0.469	107	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	121.0150	0.000	1	120.7255	0.168	2	120.5152	0.469	107	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	120.4360	0.000	1	120.7255	0.168	2	120.5152	0.469	107	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5]N[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,5]N[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.2367	0.162	3	120.4304	0.185	8	120.5152	0.469	107	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5]N[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,5]N[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.0070	0.000	1	120.4304	0.185	8	120.5152	0.469	107	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5]N[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,5]N[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.4610	0.000	1	120.4304	0.185	8	120.5152	0.469	107	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5]N[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,5]N[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){2|C<3>,2|H<1>,2|O<2>}	120.1570	0.000	1	120.4304	0.185	8	120.5152	0.469	107	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5]N[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,5]N[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	121.0540	0.317	2	120.4304	0.185	8	120.5152	0.469	107	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5]N[5,5]C[5]P)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,5]N[5,5]C[5]P)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>}	121.1100	0.000	1	121.1100	0.000	1	120.5152	0.469	107	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5]N[5,5]C[5a]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,5]N[5,5]C[5a]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	120.0330	0.000	1	120.0330	0.000	1	120.5152	0.469	107	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5]N[5,5]C[6a]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,5]N[5,5]C[6a]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	120.9750	0.000	1	120.6990	0.152	2	120.5152	0.469	107	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5]N[5,5]C[6a]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,5]N[5,5]C[6a]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	120.4230	0.000	1	120.6990	0.152	2	120.5152	0.469	107	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5]N[5,5]C[6a]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,5]N[5,5]C[6a]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.4000	0.000	1	120.4000	0.000	1	120.5152	0.469	107	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5]N[5,5]O[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,5]N[5,5]O[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.7190	0.000	1	120.7190	0.000	1	120.5152	0.469	107	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]C){1|C<4>,2|C<3>,3|H<1>}	120.8860	0.000	1	120.8860	0.000	1	121.0414	0.496	26	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,2|H<1>,3|C<4>}	120.3250	0.000	1	120.3250	0.000	1	121.0414	0.496	26	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]H){3|C<3>,3|H<1>}	121.5880	0.308	2	121.5880	0.095	2	121.0414	0.496	26	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|O<1>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]O){3|C<3>,4|H<1>}	120.2670	0.000	1	120.2670	0.000	1	121.0414	0.496	26	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]C){1|N<3>,2|H<1>,3|C<3>}	121.6260	0.000	1	121.2690	0.237	3	121.0414	0.496	26	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|S<4>,4|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]C){1|N<3>,3|C<3>,3|H<1>}	121.0905	0.531	2	121.2690	0.237	3	121.0414	0.496	26	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]H){1|C<4>,2|C<3>,2|H<1>}	120.2090	0.000	1	120.2090	0.000	1	121.0414	0.496	26	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|S<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	119.7960	0.000	1	120.3663	0.772	4	121.0414	0.496	26	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|I<1>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){3|C<3>,3|H<1>}	120.0940	0.774	2	120.3663	0.772	4	121.0414	0.496	26	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){3|C<3>,3|H<1>}	121.4810	0.000	1	120.3663	0.772	4	121.0414	0.496	26	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.2740	0.000	1	121.2740	0.000	1	121.0414	0.496	26	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|I<1>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){2|H<1>,3|C<3>}	120.7270	0.000	1	120.7270	0.000	1	121.0414	0.496	26	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,5]C[5,6a]N[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,6a]N[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,1|S<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|N<3>,2|H<1>,3|C<3>}	122.6200	0.000	1	122.6200	0.000	1	121.0414	0.496	26	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,5]C[5,6a]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,6a]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)(C[5]N[5]O){1|O<2>,2|C<3>,3|H<1>}	121.7365	0.086	2	121.7365	0.007	2	121.0414	0.496	26	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]O){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.6860	0.458	2	120.6860	0.210	2	121.0414	0.496	26	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]C)	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Pt<4>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]C){1|Pt<4>,1|O<2>,2|C<3>,2|H<1>}	121.3310	0.000	1	121.3310	0.000	1	121.0414	0.496	26	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.0120	0.419	3	121.0120	0.175	3	121.0414	0.496	26	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){1|N<3>,2|C<3>,2|H<1>}	121.7400	0.000	1	121.5545	0.069	2	121.0414	0.496	26	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.3690	0.000	1	121.5545	0.069	2	121.0414	0.496	26	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[3,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[3,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.5360	0.000	1	120.5360	0.000	1	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[3,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[3,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|N<4>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<4>,1|O<1>,2|H<1>}	119.9980	0.000	1	119.9980	0.000	1	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[3,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,5]C[3,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	120.2110	0.000	1	120.2110	0.000	1	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[3,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[3,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,5|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	119.3880	0.000	1	119.5390	0.046	2	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[3,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[3,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|H<1>,5|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	119.6900	0.000	1	119.5390	0.046	2	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[3,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,5]C[3,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	119.6590	0.000	1	119.6590	0.000	1	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[3x5]C[5,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]H)	C[5,6a](C[5,5]C[3x5]C[5,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	120.5440	0.000	1	120.5440	0.000	1	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,4|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	119.8801	0.373	9	119.8889	0.125	10	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	119.9680	0.000	1	119.8889	0.125	10	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	119.6930	0.076	2	119.8513	0.041	6	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	119.9305	0.201	4	119.8513	0.041	6	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.3150	0.000	1	120.3150	0.000	1	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,2|C<4>,4|H<1>}	121.2000	0.000	1	121.2000	0.000	1	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,2|C<4>,4|H<1>}	120.4655	0.071	2	120.4655	0.005	2	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,2|C<4>,4|H<1>}	120.0900	0.000	1	120.0900	0.000	1	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<4>,2|C<3>,3|H<1>}	119.0460	0.000	1	119.0460	0.000	1	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]I)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|I<1>,1|O<2>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]I)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,2|C<4>,4|H<1>}	121.2780	0.000	1	121.2780	0.000	1	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5,6]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,5]C[5,5]C[5,6]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|N<3>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	120.0920	0.000	1	120.0920	0.000	1	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5,6]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[5,6a](C[5,5]C[5,5]C[5,6]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	120.0410	0.000	1	120.0410	0.000	1	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.7540	0.000	1	120.7540	0.000	1	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.6205	0.510	2	119.8878	0.279	13	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.6050	0.255	4	119.8878	0.279	13	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.6370	0.000	1	119.8878	0.279	13	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.7595	0.026	2	119.8878	0.279	13	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.1495	0.349	2	119.8878	0.279	13	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.7125	1.040	2	119.8878	0.279	13	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.8825	0.453	2	119.8825	0.205	2	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|S<2>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	120.5350	0.000	1	120.2547	0.223	3	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<2>,2|C<4>,4|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	119.7100	0.000	1	120.2547	0.223	3	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	120.5190	0.000	1	120.2547	0.223	3	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	120.4840	0.000	1	120.4840	0.000	1	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.4880	0.000	1	119.4731	0.317	38	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.5675	0.319	2	119.4731	0.317	38	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.6880	0.000	1	119.4731	0.317	38	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.9390	0.000	1	119.4731	0.317	38	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,1|S<2>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	118.7880	0.000	1	119.4731	0.317	38	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.2830	0.000	1	119.4731	0.317	38	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.0437	0.432	7	119.4731	0.317	38	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.9330	0.000	1	119.4731	0.317	38	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.9910	0.000	1	119.4731	0.317	38	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.5920	0.000	1	119.4731	0.317	38	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.0430	0.000	1	119.4731	0.317	38	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.6475	0.316	2	119.4731	0.317	38	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.3958	0.437	8	119.4731	0.317	38	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.1510	0.000	1	119.4731	0.317	38	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.2510	0.000	1	119.4731	0.317	38	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	118.6540	0.349	2	119.4731	0.317	38	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.9760	0.000	1	119.4731	0.317	38	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.1950	0.000	1	119.4731	0.317	38	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.2500	0.000	1	119.4731	0.317	38	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.2725	0.153	2	119.4731	0.317	38	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.6550	0.000	1	119.4731	0.317	38	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.2190	0.000	1	119.4631	0.168	24	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.2910	0.000	1	119.4631	0.168	24	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.1510	0.607	2	119.4631	0.168	24	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.3111	0.333	14	119.4631	0.168	24	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.6548	0.345	5	119.4631	0.168	24	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<2>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.6720	0.000	1	119.4631	0.168	24	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,1|S<2>,2|O<2>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.1940	0.000	1	120.1940	0.000	1	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]Br)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,5]C[5,5]C[5]Br)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7150	0.000	1	120.7150	0.000	1	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]Br)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	C[5,6a](C[5,5]C[5,5]C[5]Br)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|S<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.4290	0.000	1	120.4290	0.000	1	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	121.1830	0.000	1	121.1830	0.000	1	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5,5]C)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5,5]C){1|C<3>,3|C<4>,3|H<1>}	120.6005	0.172	2	120.6005	0.030	2	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	119.1760	0.000	1	120.4133	0.538	26	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|Br<1>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.5750	0.000	1	120.4133	0.538	26	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	119.7630	1.266	2	120.4133	0.538	26	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	120.5783	0.057	3	120.4133	0.538	26	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	119.3920	0.000	1	120.4133	0.538	26	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	121.5065	0.200	4	120.4133	0.538	26	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	118.8740	0.000	1	120.4133	0.538	26	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){2|C<3>,2|C<4>,3|H<1>}	120.1960	0.134	2	120.4133	0.538	26	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){2|C<3>,2|C<4>,3|H<1>}	120.5000	0.000	1	120.4133	0.538	26	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	120.4490	0.236	5	120.4133	0.538	26	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,3|C<4>,3|H<1>}	120.0560	0.000	1	120.4133	0.538	26	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	120.4780	0.000	1	120.4133	0.538	26	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,3|C<4>,3|H<1>}	120.5350	0.000	1	120.4133	0.538	26	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	121.0960	0.000	1	120.4133	0.538	26	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,3|C<4>,3|H<1>}	120.1390	0.000	1	120.4133	0.538	26	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	119.7980	0.088	3	119.9370	0.063	6	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	119.7660	0.000	1	119.9370	0.063	6	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,2|H<1>,4|C<4>}	120.0910	0.000	1	119.9370	0.063	6	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	120.3710	0.000	1	119.9370	0.063	6	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]O)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	119.0785	0.987	4	119.0785	0.973	4	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	120.1490	0.000	1	120.1490	0.000	1	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]I)(N[5]C[5,5]H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|I<1>,1|N<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]I)(N[5]C[5,5]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	121.6130	0.000	1	121.6130	0.000	1	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<4>,1|O<2>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<4>,2|C<4>,3|H<1>}	120.0095	0.260	2	120.0095	0.067	2	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]F)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,5]C[5,5]C[5]F)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|F<1>,1|N<3>,2|C<4>,2|H<1>}	120.2470	0.000	1	120.2470	0.000	1	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,2|C<3>,4|H<1>}	120.2970	0.016	2	120.5063	0.132	3	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){2|C<3>,2|C<4>,3|H<1>}	120.9250	0.000	1	120.5063	0.132	3	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,3|C<3>,3|H<1>}	120.3450	0.413	2	120.3450	0.171	2	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,2|C<4>,4|H<1>}	120.3070	0.000	1	120.1727	0.203	9	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	120.2500	0.471	3	120.1727	0.203	9	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	119.9070	0.000	1	120.1727	0.203	9	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,2|C<3>,4|H<1>}	119.8560	0.166	3	120.1727	0.203	9	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){2|C<3>,2|C<4>,3|H<1>}	121.0220	0.000	1	120.1727	0.203	9	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,1|S<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	119.7852	0.249	9	119.6820	0.218	15	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|Br<1>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.6863	0.821	3	119.6820	0.218	15	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<4>,2|C<3>,4|H<1>}	119.7365	0.033	2	119.6820	0.218	15	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<4>,2|C<3>,4|H<1>}	118.6310	0.000	1	119.6820	0.218	15	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<2>,1|S<4>,2|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	119.7140	0.000	1	119.7140	0.000	1	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|Br<1>,1|C<3>,1|C<4>,2|H<1>,2|N<3>}	119.8880	0.625	2	120.7194	0.511	7	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	121.0528	0.497	4	120.7194	0.511	7	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){4|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	121.0490	0.000	1	120.7194	0.511	7	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	120.1355	0.278	2	120.7664	0.436	5	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	121.1870	0.411	3	120.7664	0.436	5	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]N)	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]N){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	119.0610	0.049	2	119.0610	0.002	2	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<4>,1|S<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	120.3510	0.000	1	120.2230	0.033	2	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	120.0950	0.000	1	120.2230	0.033	2	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]H)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|Br<1>,1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	119.9910	0.383	2	119.9910	0.147	2	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	119.6110	0.000	1	119.8307	0.599	3	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,1|S<2>,2|C<3>,4|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	119.9405	1.061	2	119.8307	0.599	3	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(N[5]C[5]H)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,1|S<2>,2|C<3>,5|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	119.7055	0.486	2	119.7055	0.236	2	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	119.7630	0.000	1	119.7630	0.000	1	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,1|S<2>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	119.7610	0.000	1	119.7610	0.000	1	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	119.3830	0.000	1	119.7211	0.161	26	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	119.4810	0.000	1	119.7211	0.161	26	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	119.5447	0.044	3	119.7211	0.161	26	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	119.4420	0.166	3	119.7211	0.161	26	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	119.8610	0.000	1	119.7211	0.161	26	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,2|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	119.7240	0.094	3	119.7211	0.161	26	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	119.6700	0.000	1	119.7211	0.161	26	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,5|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	119.6030	0.000	1	119.7211	0.161	26	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	119.1325	0.090	2	119.7211	0.161	26	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	120.7730	0.206	2	119.7211	0.161	26	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	119.6163	0.102	3	119.7211	0.161	26	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	120.0320	0.099	2	119.7211	0.161	26	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	119.9115	0.084	2	119.7211	0.161	26	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	120.0710	0.000	1	119.7211	0.161	26	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	119.7560	0.000	1	119.3739	0.170	39	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	119.3496	0.416	21	119.3739	0.170	39	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	119.8430	0.000	1	119.3739	0.170	39	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	119.0550	0.000	1	119.3739	0.170	39	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	120.1280	0.000	1	119.3739	0.170	39	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	119.3184	0.384	14	119.3739	0.170	39	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5,5]H)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|Br<1>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5,5]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	121.6870	0.000	1	121.6870	0.000	1	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	124.1080	0.000	1	121.6937	2.591	4	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	120.9080	0.000	1	121.6937	2.591	4	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	120.8850	0.000	1	121.6937	2.591	4	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	120.8740	0.000	1	121.6937	2.591	4	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	121.1820	0.000	1	121.1820	0.000	1	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	122.1143	0.496	3	122.1143	0.246	3	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.0790	0.000	1	120.0790	0.000	1	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	121.5920	0.000	1	121.5920	0.000	1	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.1070	0.000	1	119.7116	0.036	13	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	119.4320	0.000	1	119.7116	0.036	13	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	119.5150	0.000	1	119.7116	0.036	13	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	119.7197	0.131	10	119.7116	0.036	13	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]Zr)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,5]C[5,5]C[5]Zr)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|Zr<12>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|Zr<12>,1|C<3>,2|C<4>,2|H<1>}	118.3480	0.000	1	118.3480	0.000	1	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[5,6a](C[5,5]C[5,5]C[5a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	121.1790	0.191	2	120.9550	0.096	4	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[5,6a](C[5,5]C[5,5]C[5a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	120.8910	0.000	1	120.9550	0.096	4	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[5,6a](C[5,5]C[5,5]C[5a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,4|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|N<3>,3|C<3>,3|H<1>}	120.5710	0.000	1	120.9550	0.096	4	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	C[5,6a](C[5,5]C[5,5]C[5a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,1|S<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	120.7540	0.000	1	120.7540	0.000	1	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	119.6340	0.346	2	119.7747	0.119	3	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	120.0560	0.000	1	119.7747	0.119	3	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	119.3190	0.000	1	120.1430	0.691	3	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<4>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,2|H<1>,4|C<3>}	120.9810	0.000	1	120.1430	0.691	3	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){3|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){2|C<4>,2|H<1>,3|C<3>}	120.1290	0.000	1	120.1430	0.691	3	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	119.1510	0.000	1	119.1510	0.000	1	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	119.6760	0.313	2	119.6760	0.098	2	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	119.1170	0.105	2	119.1170	0.011	2	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	119.2640	0.000	2	119.1424	0.371	9	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	118.9856	0.812	5	119.1424	0.371	9	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	119.4130	0.181	2	119.1424	0.371	9	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,5]C[5,5]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	119.0700	0.000	1	119.2750	0.084	2	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,5]C[5,5]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	119.4800	0.000	1	119.2750	0.084	2	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	121.3040	0.000	1	121.3040	0.000	1	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|N<3>,2|C<3>,4|H<1>}	120.1520	0.327	2	119.9205	0.110	4	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|S<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|N<3>,2|C<3>,4|H<1>}	119.6890	0.092	2	119.9205	0.110	4	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]O[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[5,6a](C[5,5]C[5,5]O[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.8190	0.000	1	120.8190	0.000	1	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]O[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[5,6a](C[5,5]C[5,5]O[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.8710	0.000	1	120.8710	0.000	1	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5a]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S)	C[5,6a](C[5,5]C[5,5a]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|S<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S){3|C<3>,4|H<1>}	120.7330	0.000	2	120.7330	0.000	2	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,1|O<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	120.5730	0.000	1	120.5730	0.000	1	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	119.9390	0.000	1	119.9390	0.000	1	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	120.1900	0.000	1	119.6680	0.545	2	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.1460	0.000	1	119.6680	0.545	2	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,6,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,6,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.1790	0.000	1	119.1790	0.000	1	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.1280	0.374	3	120.1280	0.140	3	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.8100	0.000	1	120.8100	0.000	1	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	118.8780	0.000	2	118.8780	0.000	2	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	118.8260	0.000	1	119.1633	0.350	4	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.6900	0.000	1	119.1633	0.350	4	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.6340	0.000	1	119.1633	0.350	4	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	118.5030	0.000	1	119.1633	0.350	4	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<1>,2|C<4>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	117.8130	0.000	1	119.2045	0.395	11	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.3988	0.613	4	119.2045	0.395	11	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	118.9060	0.000	1	119.2045	0.395	11	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.8210	0.000	1	119.2045	0.395	11	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.2785	0.282	4	119.2045	0.395	11	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|S<4>,2|C<4>,7|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,2|C<4>,4|H<1>}	118.7780	0.000	1	118.7780	0.000	1	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,5|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	119.3095	0.466	2	119.3095	0.217	2	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	120.2392	0.355	4	120.2392	0.126	4	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	119.2650	0.000	1	119.8740	0.742	2	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	120.4830	0.000	1	119.8740	0.742	2	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,5|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	119.0883	0.149	3	119.5171	0.616	7	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	120.5890	0.000	1	119.5171	0.616	7	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	119.4710	1.362	2	119.5171	0.616	7	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	119.8240	0.000	1	119.5171	0.616	7	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	121.0220	0.489	2	119.3151	0.706	24	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	119.5790	0.267	2	119.3151	0.706	24	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	119.0716	0.717	18	119.3151	0.706	24	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	119.5355	0.224	2	119.3151	0.706	24	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,6]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,6]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.8990	0.000	1	120.8990	0.000	1	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,6]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,6]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.1145	0.551	2	120.1287	0.152	3	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,6]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,6]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.1570	0.000	1	120.1287	0.152	3	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,6]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,5]C[5,6]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	119.7060	0.000	1	119.7060	0.000	1	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,6]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,6]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,5|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	118.5690	0.000	1	118.5690	0.000	1	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,6]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,5]C[5,6]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	119.8825	0.234	2	119.6689	0.433	9	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,6]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,5]C[5,6]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	119.6079	0.741	7	119.6689	0.433	9	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,5]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	119.8165	0.029	2	119.8165	0.001	2	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,6a]2N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]N[5]C)	C[5,6a](C[5,5]C[5,6a]2N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]N[5]C){2|H<1>,4|C<3>}	121.5310	0.000	1	121.5310	0.000	1	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,6a]2N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]N[5]P)	C[5,6a](C[5,5]C[5,6a]2N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|P<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]N[5]P){1|C<4>,2|H<1>,3|C<3>}	119.8310	0.000	1	119.8310	0.000	1	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,6a]C[3x5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]S)	C[5,6a](C[5,5]C[5,6a]C[3x5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|S<4>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]S){1|O<2>,2|C<3>,2|H<1>,2|N<3>}	121.2770	0.000	1	121.2770	0.000	1	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5,5]C)	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5,5]C){1|O<2>,3|C<3>,3|H<1>}	121.0110	0.000	1	121.0110	0.000	1	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	120.7980	0.219	4	120.7360	0.055	5	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	120.4880	0.000	1	120.7360	0.055	5	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	120.4130	0.299	3	120.5632	0.150	4	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|O<2>,3|C<3>,3|H<1>}	121.0140	0.000	1	120.5632	0.150	4	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	121.0750	0.000	1	121.0750	0.000	1	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(N[5]C[5,5]S)	C[5,6a](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|S<4>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]N)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(N[5]C[5,5]S){1|C<4>,2|C<3>,4|H<1>}	120.2540	0.000	1	120.2540	0.000	1	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.3820	0.000	1	120.2930	0.215	5	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<2>,3|C<3>,3|H<1>}	120.8200	0.000	1	120.2930	0.215	5	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	119.9060	0.000	1	120.2930	0.215	5	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.6240	0.000	1	120.2930	0.215	5	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.7330	0.000	1	120.2930	0.215	5	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	119.7670	0.343	3	119.8790	0.129	4	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|S<1>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|S<1>,2|H<1>,3|C<3>}	120.2150	0.000	1	119.8790	0.129	4	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	120.3890	0.000	1	120.5915	0.082	2	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	120.7940	0.000	1	120.5915	0.082	2	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	120.2070	0.000	1	120.2070	0.000	1	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	121.9590	0.000	1	121.9590	0.000	1	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	120.8360	0.000	1	120.5982	0.386	5	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	120.2617	0.526	3	120.5982	0.386	5	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	121.3700	0.000	1	120.5982	0.386	5	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	120.1620	0.000	1	120.1620	0.000	1	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5]N[5]S[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,5]C[5]N[5]S[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H){1|H<1>,1|S<2>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,1|O<1>,1|S<2>,2|H<1>}	121.0570	0.000	1	121.0570	0.000	1	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5]N[5]S[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5]N[5]S[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<3>,1|O<1>,1|S<2>,2|H<1>}	120.8870	0.000	1	120.8760	0.000	2	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5]N[5]S[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]C[5]N[5]S[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|S<3>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<3>,1|O<1>,1|S<3>,2|H<1>}	120.8650	0.000	1	120.8760	0.000	2	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5]N[5]S[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,5]C[5]N[5]S[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,1|O<1>,1|S<2>,2|H<1>}	120.7870	0.144	2	120.7870	0.021	2	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,5|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	120.4480	0.000	1	120.4480	0.000	1	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	119.5230	0.000	1	119.5230	0.000	1	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	120.5140	0.000	1	120.5140	0.000	1	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	120.0230	0.000	1	120.1940	0.058	2	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	120.3650	0.000	1	120.1940	0.058	2	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(N[5]C[5]H)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(N[5]C[5]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	119.8540	0.000	1	119.8540	0.000	1	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	118.9900	0.000	1	119.6145	0.201	8	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	120.1070	0.304	2	119.6145	0.201	8	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	119.4980	0.354	4	119.6145	0.201	8	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	119.7200	0.000	1	119.6145	0.201	8	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	118.7165	0.105	2	119.1751	0.283	18	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	120.2340	0.457	2	119.1751	0.283	18	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	119.1229	0.394	12	119.1751	0.283	18	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	118.8875	0.105	2	119.1751	0.283	18	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	118.9795	0.228	2	118.9663	0.028	4	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,1|N<3>,1|N<4>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<4>,1|O<1>,2|H<1>}	118.9530	0.180	2	118.9663	0.028	4	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	120.2380	0.272	2	120.2380	0.074	2	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]N[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]N[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	120.4730	0.000	1	120.4730	0.000	1	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]N[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,5]N[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	119.6970	0.000	1	119.6970	0.000	1	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]N[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]N[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	119.4140	0.000	1	119.9950	0.675	2	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]N[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,5]N[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	120.5760	0.000	1	119.9950	0.675	2	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]N[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,5]N[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	120.0123	0.274	3	120.0123	0.075	3	119.8517	0.589	509	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	120.0055	0.059	2	120.0055	0.003	2	120.1068	0.024	4	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]2N[5,5])(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]N[5,5]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]2N[5,5])(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]N[5,5]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	120.0930	0.000	1	120.0930	0.000	1	120.1068	0.024	4	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]N[5,5]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]N[5,5]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	120.3230	0.000	1	120.3230	0.000	1	120.1068	0.024	4	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,5,6]C[5]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,6]C[5,5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5,6]C[5]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,6]C[5,5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	119.6890	0.000	1	119.6890	0.000	1	120.3254	0.402	5	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,5,6]C[5]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,6]C[5,5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5,6]C[5]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,6]C[5,5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	120.0820	0.000	1	120.0820	0.000	1	120.3254	0.402	5	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,5,6]C[5]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,6]C[5,5,6]C[6])(C[6a]C[6a]O)	C[5,6a](C[5,5]C[5,5,6]C[5]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,6]C[5,5,6]C[6])(C[6a]C[6a]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	121.3760	0.000	1	121.3760	0.000	1	120.3254	0.402	5	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,5,6]N[5]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,6]C[5,5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5,6]N[5]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,6]C[5,5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	120.2400	0.158	2	120.2400	0.025	2	120.3254	0.402	5	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,5]B[5,5]C[5]Si)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]B[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]B[5,5]C[5]Si)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|B<3>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|Si<4>,1|B<3>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]B[5,5]C[6a])(C[6a]C[6a]H){1|Si<4>,1|C<4>,2|H<1>,4|C<3>}	117.8820	0.000	1	117.8820	0.000	1	119.9795	1.845	6	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,5,6]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5,6]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,2|H<1>,3|C<4>}	121.4190	0.000	1	121.4190	0.000	1	119.9795	1.845	6	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,5,6]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5,6]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	120.6340	0.000	1	120.6340	0.000	1	119.9795	1.845	6	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,5,6]O[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5,6]O[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	121.1260	0.000	1	121.1260	0.000	1	119.9795	1.845	6	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	119.4080	0.600	2	119.4080	0.360	2	119.9795	1.845	6	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[3x5]O)(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5]C[5,6a]C[3x5])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[3x5]O)(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,2|N<3>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](N[5,5]C[5,6a]C[3x5])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,2|N<3>,4|C<3>}	120.4670	0.000	1	120.4670	0.000	1	120.4670	0.000	1	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,5,3x6]C[5]O)(C[5,6a]N[5,6,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6,6]C[5,5,3x6]C[6,6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5,3x6]C[5]O)(C[5,6a]N[5,6,6]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5,6a](N[5,6,6]C[5,5,3x6]C[6,6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,2|O<1>,3|C<4>}	119.5420	0.000	1	119.5420	0.000	1	119.5420	0.000	1	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,5,6,6]C[5]Cl)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5,6,6]C[5]Cl)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	120.6670	0.000	1	120.6670	0.000	1	120.3008	0.341	19	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,5,6,6]C[5]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5,6,6]C[5]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	120.4720	0.000	1	119.9821	0.135	8	120.3008	0.341	19	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,5,6,6]C[5]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5,6,6]C[5]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	119.9202	0.409	5	119.9821	0.135	8	120.3008	0.341	19	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,5,6,6]C[5]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5,6,6]C[5]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	119.8920	0.000	2	119.9821	0.135	8	120.3008	0.341	19	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,5,6,6]C[5]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5,6,6]C[5]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	120.6100	0.000	1	120.6100	0.000	1	120.3008	0.341	19	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,5,6,6]C[5]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5,6,6]C[5]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	120.2384	0.361	7	120.3182	0.163	8	120.3008	0.341	19	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,5,6,6]C[5]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5,6,6]C[5]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	120.8770	0.000	1	120.3182	0.163	8	120.3008	0.341	19	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,5,6,6]C[5]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)	C[5,6a](C[5,5]C[5,5,6,6]C[5]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	122.0360	0.000	1	122.0360	0.000	1	120.3008	0.341	19	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<2>,1|N<3>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	120.0010	0.000	1	120.0010	0.000	1	120.0010	0.000	1	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6,6]C[5,3x6]C[5,6,6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6,6]C[5,3x6]C[5,6,6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	120.3170	0.000	1	120.3170	0.000	1	119.9628	0.320	18	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6,6]C[5,3x6]C[5,6,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6,6]C[5,3x6]C[5,6,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	119.5784	0.364	5	119.5784	0.133	5	119.9628	0.320	18	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6,6]C[5,6,6]C[5,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6,6]C[5,6,6]C[5,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	120.4995	0.153	2	120.4995	0.024	2	119.9628	0.320	18	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){2|H<1>,4|C<3>}	120.2870	0.000	1	120.2870	0.000	1	119.9628	0.320	18	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6,6]C[5,6,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6,6]C[5,6,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	120.5795	0.291	2	120.5795	0.084	2	119.9628	0.320	18	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,4|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,4|C<4>}	119.6380	0.000	1	119.6380	0.000	1	119.9628	0.320	18	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6]Br)(C[6a]C[6a]H)	C[5,6a](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6]Br)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	119.2060	0.000	1	119.2060	0.000	1	119.9628	0.320	18	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6]Cl)(C[6a]C[6a]H)	C[5,6a](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6]Cl)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	118.8050	0.000	1	118.8050	0.000	1	119.9628	0.320	18	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6,6]C[6,6a]C[5,6]C[6,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6,6]C[6,6a]C[5,6]C[6,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	120.1540	0.000	1	120.1540	0.000	1	119.9628	0.320	18	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6,6]N[5,6,6]C[3x6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]N[5,6,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6,6]N[5,6,6]C[3x6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]N[5,6,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	120.2500	0.000	1	120.2913	0.059	3	119.9628	0.320	18	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6,6]N[5,6,6]C[3x6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]N[5,6,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6,6]N[5,6,6]C[3x6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]N[5,6,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	120.3120	0.341	2	120.2913	0.059	3	119.9628	0.320	18	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6,6]C[3x6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6,6]C[3x6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.4430	0.000	1	119.4430	0.000	1	119.7111	0.219	9	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6,6]C[3x6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6,6]C[3x6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.8200	0.000	1	119.8360	0.180	3	119.7111	0.219	9	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6,6]C[3x6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6,6]C[3x6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.8440	0.600	2	119.8360	0.180	3	119.7111	0.219	9	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6,6]C[3x6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6,6]C[3x6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.7300	0.000	1	119.7300	0.000	1	119.7111	0.219	9	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6,6]C[3x6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6,6]C[3x6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<2>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.1380	0.000	1	119.1380	0.000	1	119.7111	0.219	9	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6,6]C[3x6]S[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6,6]C[3x6]S[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	120.6200	0.000	1	120.6200	0.000	1	119.7111	0.219	9	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6,6]C[5,5,6,6]C[5,6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6,6]C[5,5,6,6]C[5,6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.4160	0.000	1	119.4160	0.000	1	119.7111	0.219	9	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[5,6a](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	119.5450	0.000	1	119.5450	0.000	1	119.7111	0.219	9	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a](C[5,6,6]C[3x6]C[5,5]C[6,6])(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6,6]C[3x6]C[5,5]C[6,6])(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,3|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	116.8170	0.000	1	116.8170	0.000	1	116.8170	0.000	1	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6,6]C[5,3x6]C[6,6a]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5,6]C[5,3x6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6,6]C[5,3x6]C[6,6a]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5,6]C[5,3x6]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	122.3300	0.000	1	122.3300	0.000	1	122.3300	0.000	1	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6,6]C[5,6,6]C[3x6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6]C)(C[6a]C[6a]H)	C[5,6a](C[5,6,6]C[5,6,6]C[3x6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6]C)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	121.5390	0.000	1	121.5390	0.000	1	120.5916	0.737	5	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6,6]C[5,6,6]C[3x6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6]H)(C[6a]C[6a]H)	C[5,6a](C[5,6,6]C[5,6,6]C[3x6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6]H)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	120.9100	0.000	1	120.9100	0.000	1	120.5916	0.737	5	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6,6]C[5,6,6]C[3x6]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6]S)(C[6a]C[6a]H)	C[5,6a](C[5,6,6]C[5,6,6]C[3x6]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|S<4>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6]S)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	120.2830	0.000	1	120.2830	0.000	1	120.5916	0.737	5	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6]C)(C[6a]C[6a]H)	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<3>,5|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6]C)(C[6a]C[6a]H){1|C<3>,2|H<1>,4|C<4>}	120.9480	0.000	1	120.9480	0.000	1	120.5916	0.737	5	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6]C)(C[6a]C[6a]H)	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,5|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]C)(H){1|C<3>,1|N<3>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	119.2780	0.000	1	119.2780	0.000	1	120.5916	0.737	5	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])2(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]H){1|C<4>,1|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])2(H){9|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H){2|H<1>,6|C<3>}	121.5918	0.441	4	121.5918	0.195	4	121.5918	0.195	4	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5,6]C[5]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[5,6]C[5]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(Br){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	118.4450	0.000	1	118.4450	0.000	1	118.0412	0.344	6	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br){1|N<3>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|Br<1>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	117.7360	0.000	1	117.7360	0.000	1	118.0412	0.344	6	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br){1|N<3>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|Br<1>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	117.9930	0.000	1	117.9930	0.000	1	118.0412	0.344	6	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5]C[6]S[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6]C[5]C[6]S[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(Br){1|C<4>,1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|S<2>}	117.7260	0.962	2	117.7260	0.925	2	118.0412	0.344	6	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br){1|C<2>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(Br){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|Br<1>,1|H<1>,1|O<1>,3|C<3>}	118.6210	0.000	1	118.6210	0.000	1	118.0412	0.344	6	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6]N[5,6]O[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(C[5]N[5,6]O)	C[5,6a](C[5,6]N[5,6]O[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl){2|Cl<1>,1|C<3>,1|O<1>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(C[5]N[5,6]O){2|Cl<1>,1|C<3>,1|O<2>,2|C<4>}	120.0830	0.000	1	120.0830	0.000	1	120.0830	0.000	1	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5,6]C[6,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[5,6a](C[5,6]C[5,6]C[6,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	116.7280	0.000	1	116.7280	0.000	1	117.8730	2.622	2	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(Cl){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	119.0180	0.000	1	119.0180	0.000	1	117.8730	2.622	2	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]F)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(F)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]F){1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(F){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|N<3>,1|O<1>}	118.5520	0.000	1	118.5520	0.000	1	118.5520	0.000	1	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5,6]C[5])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5,6]C[5])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){3|H<1>,6|C<3>}	121.4205	0.059	2	121.4205	0.003	2	121.4205	0.003	2	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6]C[6,6a]N[5,5a]C[6])(C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]N[5,5a]N[5a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]N[5,5a]C[6])(C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,5a]N[5,5a]N[5a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	121.4410	0.000	1	121.4410	0.000	1	121.0000	0.389	2	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6]N[5,5a,6]C[6]H)(C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]N[5,5a,6]C[5a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]N[5,5a,6]C[6]H)(C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,5a]N[5,5a,6]C[5a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	120.5590	0.000	1	120.5590	0.000	1	121.0000	0.389	2	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6,6]C[6]Ru)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6,6]C[6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6,6]C[6]Ru)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|Ru<11>,1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6,6]C[6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|Ru<11>,2|C<3>,2|C<4>,3|H<1>}	121.1660	0.000	1	121.1660	0.000	1	121.0450	0.029	2	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6,6]N[6]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6]C[5,6,6]C[6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6,6]N[6]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6]C[5,6,6]C[6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,3|C<4>,3|H<1>}	120.9240	0.000	1	120.9240	0.000	1	121.0450	0.029	2	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6,6a]C[6,6a]C)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6,6a]C[6,6a]C)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|F<1>,2|H<1>,4|C<3>}	119.6520	0.044	2	119.9489	0.070	7	120.8063	0.492	82	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6,6a]C[6,6a]C)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6,6a]C[6,6a]C)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	120.0676	0.207	5	119.9489	0.070	7	120.8063	0.492	82	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<2>,2|H<1>,5|C<3>}	120.0800	0.000	1	120.0800	0.000	1	120.8063	0.492	82	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6,6a]C[6]O)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6,6a]C[6]O)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	120.4480	0.130	2	120.4480	0.017	2	120.8063	0.492	82	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6a]C[5,6]S[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6a]C[5,6]S[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,2|S<2>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	119.8970	0.156	4	119.8970	0.024	4	120.8063	0.492	82	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6a]C[5a,6]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6a]C[5a,6]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|I<1>,2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	121.1370	0.017	2	121.1370	0.000	2	120.8063	0.492	82	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6a]C[5a,6]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6a]C[5a,6]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<2>,2|H<1>,2|N<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	120.4530	0.000	1	120.4530	0.000	1	120.8063	0.492	82	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,8|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]2)(H){1|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	120.7850	0.000	1	120.7850	0.000	1	120.8063	0.492	82	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	120.8900	0.201	2	120.8900	0.040	2	120.8063	0.492	82	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	120.7886	0.585	34	120.7886	0.342	34	120.8063	0.492	82	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,7|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]N)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	121.3210	0.581	9	121.3210	0.337	9	120.8063	0.492	82	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]N[5a])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,7|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]N[5a])(H){1|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	121.7340	0.000	1	121.7340	0.000	1	120.8063	0.492	82	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]N[6])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,7|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]N[6])(H){1|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	121.5610	0.957	6	121.5610	0.916	6	120.8063	0.492	82	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	121.4702	0.268	4	121.4702	0.072	4	120.8063	0.492	82	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	120.6620	0.000	1	120.6620	0.000	1	120.8063	0.492	82	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H){1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	121.4530	0.000	1	121.4530	0.000	1	120.8063	0.492	82	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6a]C[6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6a]C[6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	120.6575	0.417	4	120.6575	0.174	4	120.8063	0.492	82	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6a]Ge[6]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6a]Ge[6]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|O<2>,3|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|Ge<4>,1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|Ge<4>,1|C<4>,3|C<3>,3|H<1>}	120.0950	0.676	2	120.0950	0.457	2	120.8063	0.492	82	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[3x3,3x5,12x6]N[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[3x3,3x5,12x6]N[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Co<10>,1|C<3>,1|C<6>,1|O<1>,2|C<4>,2|H<1>,3|B<6>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<6>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|C<6>,1|O<2>,2|H<1>}	119.2660	0.000	1	119.2660	0.000	1	120.4190	0.752	83	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	119.3320	0.000	1	119.3320	0.000	1	120.4190	0.752	83	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	118.7400	0.000	1	118.7400	0.000	1	120.4190	0.752	83	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]C[6,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	120.0186	0.411	5	120.0186	0.169	5	120.4190	0.752	83	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|F<1>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]F)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	121.2030	0.000	1	121.2030	0.000	1	120.4190	0.752	83	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H){3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,4|C<4>}	120.5500	0.000	1	120.5500	0.000	1	120.4190	0.752	83	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]N)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,5|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]N)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	119.2400	0.279	2	119.2400	0.078	2	120.4190	0.752	83	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]N)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]N)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	120.3560	0.000	1	120.3560	0.000	1	120.4190	0.752	83	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]C)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]C){1|C<3>,3|C<4>,3|H<1>}	120.2580	0.256	2	120.2580	0.066	2	120.4190	0.752	83	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	119.5150	0.000	1	119.0760	0.385	2	120.4190	0.752	83	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|F<1>,2|C<3>,2|C<4>,2|H<1>}	118.6370	0.000	1	119.0760	0.385	2	120.4190	0.752	83	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]O)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|O<2>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]O){1|C<4>,2|C<3>,3|H<1>}	121.8620	0.000	1	121.8620	0.000	1	120.4190	0.752	83	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	120.1955	0.602	2	120.1955	0.362	2	120.4190	0.752	83	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6]Rh)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]N)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]C[6]Rh)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|Rh<8>,1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]N)(C[6a]C[6a]H){1|Rh<8>,1|C<3>,2|C<4>,2|H<1>}	120.9920	0.000	1	120.9920	0.000	1	120.4190	0.752	83	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	120.6790	0.000	1	120.6790	0.000	1	120.4190	0.752	83	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6a]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]C[6a]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	121.0890	0.000	1	121.0890	0.000	1	120.4190	0.752	83	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6a]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]C[6a]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	120.7010	0.000	1	120.7010	0.000	1	120.4190	0.752	83	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	121.3060	0.000	1	121.3060	0.000	1	120.4190	0.752	83	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	120.2117	0.733	3	120.2117	0.537	3	120.4190	0.752	83	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.7780	0.000	1	120.4797	0.080	3	120.4190	0.752	83	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.3305	0.162	2	120.4797	0.080	3	120.4190	0.752	83	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	120.0730	0.000	1	120.0730	0.000	1	120.4190	0.752	83	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6]N[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]N[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	120.7650	0.000	1	120.7650	0.000	1	120.4190	0.752	83	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6]O[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]O[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	120.7830	0.000	1	120.7830	0.000	1	120.4190	0.752	83	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[5a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[5a])(C[6a]C[6a]H){1|N<2>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	122.5820	0.000	1	122.2357	0.237	3	120.4190	0.752	83	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[5a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[5a])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|N<3>,3|H<1>}	122.0625	0.542	2	122.2357	0.237	3	120.4190	0.752	83	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6]O[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]O[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	120.4110	0.300	2	120.4110	0.090	2	120.4190	0.752	83	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6]S[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[5a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]S[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[5a])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|C<3>,2|H<1>,2|N<3>}	121.2300	0.136	2	121.2300	0.018	2	120.4190	0.752	83	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<3>,5|C<3>}	121.1300	0.000	1	121.1300	0.000	1	120.4190	0.752	83	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[5a,6]N[5,6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5a,6]N[5,6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	119.8480	0.000	1	119.8480	0.000	1	120.4190	0.752	83	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[5a,6]N[5,6]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5a,6]N[5,6]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	121.2880	0.000	1	121.2880	0.000	1	120.4190	0.752	83	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[5a,6]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5a,6]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	120.2845	0.317	2	120.2845	0.101	2	120.4190	0.752	83	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[5a,6]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5a,6]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.5610	0.000	1	120.5610	0.000	1	120.4190	0.752	83	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[6,6a]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5a]C[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	121.4170	0.000	1	121.4170	0.000	1	120.4190	0.752	83	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[6,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	119.7440	0.000	1	119.7440	0.000	1	120.4190	0.752	83	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[6,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	119.5210	0.000	1	118.9760	0.594	2	120.4190	0.752	83	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[6,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	118.4310	0.000	1	118.9760	0.594	2	120.4190	0.752	83	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	119.3300	0.000	1	119.3300	0.000	1	120.4190	0.752	83	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,6|C<3>}	121.9210	0.000	1	121.9210	0.000	1	120.4190	0.752	83	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5a]C[5])(C[6a]C[6a]H){1|S<2>,2|H<1>,5|C<3>}	121.8340	0.000	1	121.8340	0.000	1	120.4190	0.752	83	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	120.6425	0.284	2	120.8893	0.130	4	120.4190	0.752	83	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){6|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,7|C<3>}	121.3180	0.000	1	120.8893	0.130	4	120.4190	0.752	83	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Si<4>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|Si<4>,2|H<1>,5|C<3>}	120.9540	0.000	1	120.8893	0.130	4	120.4190	0.752	83	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]O)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<2>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	122.0590	0.389	2	122.0590	0.151	2	120.4190	0.752	83	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[6,6a]N[5,6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]N[5,6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	120.0770	0.000	1	120.0770	0.000	1	120.4190	0.752	83	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[6,6a]N[5,6]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]N[5,6]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	120.0830	0.000	1	120.0830	0.000	1	120.4190	0.752	83	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[6,6a]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.8541	0.550	8	119.8541	0.302	8	120.4190	0.752	83	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]N[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]N[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	121.2830	0.000	1	121.2830	0.000	1	120.4190	0.752	83	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]N[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]N[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	120.2347	0.255	3	120.2342	0.086	6	120.4190	0.752	83	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]N[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]N[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	120.5860	0.000	1	120.2342	0.086	6	120.4190	0.752	83	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]N[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]N[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	119.8210	0.000	1	120.2342	0.086	6	120.4190	0.752	83	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]N[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]N[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	120.2940	0.000	1	120.2342	0.086	6	120.4190	0.752	83	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]N[5,6]C[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]N[5,6]C[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.1140	0.000	1	120.8527	0.476	3	120.4190	0.752	83	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]N[5,6]C[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]N[5,6]C[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.3740	0.000	1	120.8527	0.476	3	120.4190	0.752	83	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]N[5,6]C[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]N[5,6]C[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.0700	0.000	1	120.8527	0.476	3	120.4190	0.752	83	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]N[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]N[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.2950	0.000	1	119.9583	0.392	3	120.4190	0.752	83	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]N[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]N[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	120.0420	0.000	1	119.9583	0.392	3	120.4190	0.752	83	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]N[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]N[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	120.5380	0.000	1	119.9583	0.392	3	120.4190	0.752	83	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6]B[6]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6]B[6]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<3>,4|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]C){1|B<4>,1|C<3>,1|C<4>,3|H<1>}	119.6380	0.148	2	119.6380	0.022	2	120.7209	0.298	135	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|H<1>,3|C<3>}	120.8527	0.429	21	120.6976	0.182	70	120.7209	0.298	135	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|N<2>,2|H<1>,3|C<3>}	120.6016	0.425	27	120.6976	0.182	70	120.7209	0.298	135	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|N<3>,2|H<1>,3|C<3>}	120.6611	0.409	8	120.6976	0.182	70	120.7209	0.298	135	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){2|H<1>,4|C<3>}	120.6708	0.413	14	120.6976	0.182	70	120.7209	0.298	135	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]N)(C[5]N[5]O)	C[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]N)(C[5]N[5]O){1|C<4>,2|H<1>,3|C<3>}	121.5695	0.446	4	121.5695	0.199	4	120.7209	0.298	135	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[5a]C[6a])(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[5a]C[6a])(H){1|H<1>,1|N<3>,1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){2|H<1>,3|C<3>}	120.7800	0.000	1	120.7800	0.000	1	120.7209	0.298	135	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){2|H<1>,3|C<3>}	121.1090	0.000	1	121.1090	0.000	1	120.7209	0.298	135	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){2|H<1>,3|C<3>}	120.7690	0.489	38	120.7690	0.239	38	120.7209	0.298	135	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]N)(C[5]O[5]O)	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]N)(C[5]O[5]O){2|H<1>,3|C<3>}	119.7580	0.000	1	119.7580	0.000	1	120.7209	0.298	135	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H){2|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){1|H<1>,1|O<2>,3|C<3>}	121.5680	0.000	1	121.5680	0.000	1	120.7209	0.298	135	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6]C[6,6a]2S[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]S[5]N)	C[5,6a](C[5,6]C[6,6a]2S[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]S[5]N){2|H<1>,3|C<3>}	119.9873	0.165	3	119.9873	0.027	3	120.7209	0.298	135	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6]C[6,6a]2S[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]S[5]O)	C[5,6a](C[5,6]C[6,6a]2S[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]S[5]O){2|H<1>,3|C<3>}	120.2035	0.439	2	120.2035	0.193	2	120.7209	0.298	135	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6]C[6,6a]2S[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]S[5]S)	C[5,6a](C[5,6]C[6,6a]2S[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|S<1>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]S[5]S){2|H<1>,3|C<3>}	120.5090	0.000	1	120.5090	0.000	1	120.7209	0.298	135	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6]C[6,6a]2Se[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]Se[5]O)	C[5,6a](C[5,6]C[6,6a]2Se[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|Se<2>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]Se[5]O){2|H<1>,3|C<3>}	119.2950	0.000	1	119.2950	0.000	1	120.7209	0.298	135	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]C){2|H<1>,4|C<3>}	121.5510	0.148	3	121.5510	0.022	3	120.7209	0.298	135	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6]C[6,6a]C[6,6]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6]C[6,6a]C[6,6]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|N<2>,2|H<1>,3|C<3>}	120.6600	0.000	1	120.6600	0.000	1	120.7209	0.298	135	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6]C[6,6a]C[6]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6]C[6,6a]C[6]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|C<3>,3|H<1>}	119.7535	0.497	2	119.7535	0.247	2	120.7209	0.298	135	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6]C[6,6a]C[6]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(C[5]O[5]O)	C[5,6a](C[5,6]C[6,6a]C[6]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,2|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(C[5]O[5]O){2|H<1>,3|C<3>}	121.8250	0.000	1	121.8250	0.000	1	120.7209	0.298	135	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6]C[6]O[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[5,6]C[6]O[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|Cl<1>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	121.0130	0.000	1	121.0130	0.000	1	120.7209	0.298	135	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6]N[5a,6]C[5,6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6]N[5a,6]C[5,6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]H){1|N<3>,2|C<3>,3|H<1>}	121.3355	0.194	2	121.3355	0.038	2	120.7209	0.298	135	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[3x6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[3x6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.3480	0.000	1	119.3480	0.000	1	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5,5,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]O)	C[5,6a](C[5,6]C[5,5,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	117.3860	0.000	1	117.3860	0.000	1	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.1810	0.000	1	120.1810	0.000	1	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|H<1>,2|C<4>,2|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	120.3830	0.000	1	120.2233	0.020	3	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<4>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.1210	0.000	1	120.2233	0.020	3	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>,4|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.1660	0.000	1	120.2233	0.020	3	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<1>,2|C<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.4020	0.000	1	119.4725	0.010	2	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.5430	0.000	1	119.4725	0.010	2	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<2>,1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	121.9990	0.000	1	121.9990	0.000	1	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.0970	0.000	1	119.8965	0.297	10	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.4635	0.035	2	119.8965	0.297	10	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.9040	0.581	3	119.8965	0.297	10	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	120.4680	0.000	1	119.8965	0.297	10	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.4940	0.222	2	119.8965	0.297	10	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.7730	0.000	1	119.8965	0.297	10	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,1|S<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	120.7010	0.000	1	120.7010	0.000	1	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.7160	0.008	2	119.7160	0.000	2	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5,6]C[5]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[5,6]C[5]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	120.7400	0.000	1	120.7400	0.000	1	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5,6]C[5]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[5,6]C[5]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	119.9240	0.000	1	119.9240	0.000	1	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5,6]C[5a]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(N[5]C[5,6]H)	C[5,6a](C[5,6]C[5,6]C[5a]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(N[5]C[5,6]H){1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	119.6780	0.000	1	119.6780	0.000	1	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5,6]C[6,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[5,6a](C[5,6]C[5,6]C[6,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,3|C<4>,3|H<1>}	121.0180	0.000	1	120.4833	0.214	3	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5,6]C[6,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[5,6a](C[5,6]C[5,6]C[6,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,3|C<3>,3|H<1>}	120.2160	0.000	2	120.4833	0.214	3	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6]C[5,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|S<2>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.3420	0.000	1	120.3420	0.000	1	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[5,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	120.0120	0.351	2	120.0120	0.123	2	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6]C[5,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.0610	0.000	1	120.0610	0.000	1	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	C[5,6a](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<4>,2|C<3>,4|H<1>}	119.9990	0.000	1	119.9990	0.000	1	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Br)(N[5]C[5,6]H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|Br<1>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Br)(N[5]C[5,6]H){1|C<4>,2|H<1>,4|C<3>}	122.3790	0.000	1	122.3790	0.000	1	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	120.5510	0.000	1	120.5510	0.000	1	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,3|C<4>,3|H<1>}	120.5630	0.000	1	120.5926	0.098	7	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	120.5095	0.021	2	120.5926	0.098	7	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,3|C<4>,3|H<1>}	120.4690	0.000	1	120.5926	0.098	7	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	120.1070	0.000	1	120.5926	0.098	7	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){2|C<4>,2|H<1>,3|C<3>}	121.0050	0.000	1	120.5926	0.098	7	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){2|C<3>,2|H<1>,3|C<4>}	120.9850	0.000	1	120.5926	0.098	7	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<4>,2|H<1>,4|C<3>}	121.0790	0.000	1	121.0790	0.000	1	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]P)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|P<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]P){2|C<3>,2|C<4>,2|H<1>}	119.9855	0.665	2	119.9855	0.443	2	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<4>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<3>,3|C<4>,3|H<1>}	121.3000	0.000	1	121.3000	0.000	1	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5,6]C[6]Cl)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	C[5,6a](C[5,6]C[5,6]C[6]Cl)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,1|S<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.7230	0.115	2	120.7230	0.013	2	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5,6]C[6]Cr)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[5,6a](C[5,6]C[5,6]C[6]Cr)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|Cr<9>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|Cr<9>,1|C<3>,2|C<4>,2|H<1>}	119.9173	0.313	3	119.9173	0.098	3	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5,6]C[6]Cr)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[5,6a](C[5,6]C[5,6]C[6]Cr)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]N)(H){1|Cr<9>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|Cr<9>,1|C<3>,2|C<4>,2|H<1>}	120.9160	0.000	1	120.9160	0.000	1	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,2|C<3>,4|H<1>}	120.6610	0.000	1	120.6610	0.000	1	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C)(N[5]C[5,6]C)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C)(N[5]C[5,6]C){1|C<3>,2|C<4>,4|H<1>}	121.2595	0.122	2	121.2595	0.015	2	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]I)(N[5]C[5,6]C)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|I<1>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]I)(N[5]C[5,6]C){1|C<3>,2|C<4>,4|H<1>}	120.6830	0.000	1	120.6830	0.000	1	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]P)(N[5]C[5,6]C)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|P<4>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]P)(N[5]C[5,6]C){1|C<3>,2|C<4>,4|H<1>}	121.1220	0.000	1	121.1220	0.000	1	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,2|C<3>,4|H<1>}	119.9400	0.000	1	120.2903	0.113	3	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,2|C<3>,4|H<1>}	120.6110	0.000	1	120.2903	0.113	3	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,2|C<3>,3|H<1>}	120.3200	0.000	1	120.2903	0.113	3	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<3>,2|C<4>,4|H<1>}	120.0060	0.000	2	120.0060	0.000	2	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<3>,2|C<4>,4|H<1>}	119.8390	0.785	4	119.9202	0.385	6	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|S<4>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<4>,3|C<3>,3|H<1>}	120.0825	0.011	2	119.9202	0.385	6	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5,6]C[6]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	C[5,6a](C[5,6]C[5,6]C[6]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|S<4>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<3>,2|C<4>,2|H<1>,2|N<3>}	120.3340	0.000	1	120.4617	0.435	4	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5,6]C[6]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	C[5,6a](C[5,6]C[5,6]C[6]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|S<4>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	119.6160	0.000	1	120.4617	0.435	4	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5,6]C[6]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	C[5,6a](C[5,6]C[5,6]C[6]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	120.9485	0.317	2	120.4617	0.435	4	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5,6]C[6]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	C[5,6a](C[5,6]C[5,6]C[6]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,1|S<4>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	120.2840	0.000	1	120.2840	0.000	1	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	120.2090	0.000	1	120.2090	0.000	1	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	120.7310	0.000	1	120.7310	0.000	1	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5,6]C[6]Ru)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	C[5,6a](C[5,6]C[5,6]C[6]Ru)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|Ru<11>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|Ru<11>,1|C<3>,2|C<4>,2|H<1>}	120.7100	0.000	1	120.7100	0.000	1	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	119.6205	0.235	2	119.6205	0.055	2	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	120.0295	0.177	2	120.0295	0.032	2	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	119.4020	0.000	1	120.0280	0.784	2	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	120.6540	0.000	1	120.0280	0.784	2	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	119.0950	0.370	6	119.0950	0.137	6	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5,6]N[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[5,6a](C[5,6]C[5,6]N[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	121.0800	0.000	1	121.0800	0.000	1	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5,6]O[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[5,6a](C[5,6]C[5,6]O[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	121.5160	0.802	4	121.4410	0.511	5	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5,6]O[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[5,6a](C[5,6]C[5,6]O[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	121.1410	0.000	1	121.4410	0.511	5	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	121.2420	0.000	1	121.2420	0.000	1	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<4>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	120.0000	0.000	1	119.6910	1.547	3	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	118.3220	0.000	1	119.6910	1.547	3	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	120.7510	0.000	1	119.6910	1.547	3	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|N<2>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	120.6260	0.000	1	120.6260	0.000	1	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|H<1>,1|O<1>,1|O<2>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	121.5420	0.000	1	120.9735	0.646	2	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|N<2>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	120.4050	0.000	1	120.9735	0.646	2	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	121.0760	1.519	2	119.8196	1.048	11	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|Br<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	120.5080	0.000	1	119.8196	1.048	11	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	118.4220	0.000	1	119.8196	1.048	11	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	119.2763	0.458	3	119.8196	1.048	11	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|N<3>,1|O<1>}	120.1290	0.000	1	119.8196	1.048	11	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	120.0890	0.010	2	119.8196	1.048	11	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	118.7980	0.000	1	119.8196	1.048	11	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.7190	0.000	1	120.4073	0.340	3	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	119.7350	0.000	1	120.4073	0.340	3	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.7680	0.000	1	120.4073	0.340	3	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.9360	0.000	1	120.6510	0.183	5	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.7910	0.000	1	120.6510	0.183	5	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.5700	0.740	2	120.6510	0.183	5	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.3880	0.000	1	120.6510	0.183	5	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	119.6740	0.000	1	120.3526	0.099	7	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.5020	0.000	1	120.3526	0.099	7	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|N<2>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|N<2>}	120.4470	0.000	1	120.3526	0.099	7	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.4613	0.133	4	120.3526	0.099	7	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	119.4460	0.078	2	119.7617	0.302	3	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.3930	0.000	1	119.7617	0.302	3	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.9340	0.000	1	120.8740	0.072	3	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.8440	0.373	2	120.8740	0.072	3	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5]N[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[5]N[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	120.2280	0.000	1	120.2280	0.000	1	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5]N[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6]C[5]N[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]N)(H){1|H<1>,1|O<2>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	120.4650	0.000	1	120.4650	0.000	1	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5a,6]C[5,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[5,6a](C[5,6]C[5a,6]C[5,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,3|C<3>,3|H<1>}	120.2090	0.000	1	120.2090	0.000	1	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5a,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[5a,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.6970	0.000	1	119.6970	0.000	1	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<2>,1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	120.8560	0.000	1	120.4758	0.238	4	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	120.7560	0.000	1	120.4758	0.238	4	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.1455	0.523	2	120.4758	0.238	4	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|F<1>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	120.8530	0.000	1	120.8530	0.000	1	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|Br<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|H<1>,1|O<1>,3|C<3>}	121.3490	0.867	2	120.1496	0.943	7	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.5958	0.506	4	120.1496	0.943	7	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.9660	0.000	1	120.1496	0.943	7	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	120.1370	0.027	3	120.1418	0.085	5	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.5600	0.000	1	120.1418	0.085	5	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.7380	0.000	1	120.1418	0.085	5	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]I)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|I<1>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]I)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	116.5610	0.000	1	116.5610	0.000	1	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5a,6]C[5]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[5a,6]C[5]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	120.0640	0.000	1	120.0640	0.000	1	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5a,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6]C[5a,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	120.8910	0.000	1	120.8910	0.000	1	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5a,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[5a,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	118.9245	0.460	2	118.9245	0.212	2	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5a,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6]C[5a,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	120.2662	0.482	5	120.2662	0.233	5	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5a,6]C[6,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[5a,6]C[6,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	120.5930	0.000	1	120.5930	0.000	1	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5a,6]C[6,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]F)(N[5]C[5]C)	C[5,6a](C[5,6]C[5a,6]C[6,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]F)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	121.4970	0.000	1	121.4970	0.000	1	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5a,6]C[6,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[5a,6]C[6,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	120.4350	1.376	3	120.3968	0.953	5	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5a,6]C[6,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[5a,6]C[6,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	120.3395	0.111	2	120.3968	0.953	5	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<2>,1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	122.3370	0.000	1	121.3435	1.974	2	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.3500	0.000	1	121.3435	1.974	2	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,2|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	120.7280	0.000	1	120.9467	0.041	3	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	121.0560	0.099	2	120.9467	0.041	3	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	120.4975	0.492	6	120.6422	1.665	13	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	120.8510	0.000	1	120.6422	1.665	13	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<2>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	119.5700	0.000	1	120.6422	1.665	13	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	124.3990	0.000	1	120.6422	1.665	13	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	121.3360	0.000	1	120.6422	1.665	13	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.9890	0.000	2	120.6422	1.665	13	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.2290	0.000	1	120.6422	1.665	13	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,1|S<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	120.9030	0.000	1	120.1838	0.246	5	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	120.2170	0.083	2	120.1838	0.246	5	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.5170	0.000	1	120.1838	0.246	5	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	120.0650	0.000	1	120.1838	0.246	5	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[6,6]C[5]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[6,6]C[5]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	120.9420	0.000	1	120.9420	0.000	1	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[6,6a]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6]C[6,6a]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	120.7530	0.000	1	120.7530	0.000	1	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[6,6a]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6]C[6,6a]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	120.8755	0.743	2	120.8755	0.552	2	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[6,6a]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6]C[6,6a]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	120.8250	0.000	1	120.8250	0.000	1	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.9730	0.000	1	119.9730	0.000	1	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	120.2860	0.000	1	119.8927	0.149	11	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	120.2310	0.000	1	119.8927	0.149	11	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	119.6810	0.238	2	119.8927	0.149	11	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.3840	0.000	1	119.8927	0.149	11	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,4|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,4|H<1>}	120.2835	0.179	2	119.8927	0.149	11	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.7475	0.360	4	119.8927	0.149	11	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	120.3290	0.000	1	119.7400	0.324	3	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.4455	0.359	2	119.7400	0.324	3	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	120.2270	0.000	1	120.2270	0.000	1	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[6,6a]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[6,6a]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.1670	0.000	1	120.1670	0.000	1	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[6,6a]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[6,6a]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,1|S<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.8800	0.000	1	119.8800	0.000	1	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[6,6a]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6]C[6,6a]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<1>,1|S<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.1950	0.000	1	120.1950	0.000	1	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[6,6a]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[6,6a]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|O<1>,1|S<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.8390	0.035	2	119.8390	0.001	2	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[6,6a]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[6,6a]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	118.4660	0.000	1	118.4660	0.000	1	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]N[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]N[5,6]C)	C[5,6a](C[5,6]N[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]N[5,6]C){3|C<3>,3|H<1>}	121.6080	0.000	1	121.6080	0.000	1	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]N[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]N[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	121.0385	0.701	2	121.0385	0.491	2	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]N[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C)(N[5]C[5]C)	C[5,6a](C[5,6]N[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,4|C<3>,4|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	120.7007	0.328	4	120.7007	0.107	4	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]N[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]N[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	120.6280	0.000	1	119.9870	0.336	3	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]N[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]N[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	119.6665	0.234	2	119.9870	0.336	3	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]N[5a,6]C[5]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]N[5a,6]C[5]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|N<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	120.9550	0.000	1	120.9550	0.000	1	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]N[5a,6]C[5]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]N[5a,6]C[5]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	120.9910	0.000	1	120.9910	0.000	1	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]N[5a,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6]N[5a,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	120.4490	0.706	2	120.4490	0.498	2	120.2697	0.690	235	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,5,6]C[6]F)(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,5]C[5,5,6]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,5,6]C[6]F)(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,5]C[5,5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|F<1>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	120.4950	0.000	1	120.4950	0.000	1	119.8385	0.199	4	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,5,6]C[6]O)(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,5]C[5,5,6]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,5,6]C[6]O)(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,5]C[5,5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	119.6197	0.106	3	119.6197	0.011	3	119.8385	0.199	4	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6,6]C[6]C)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6,6]C[6]C)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	120.2180	0.000	1	120.2180	0.000	1	120.6326	0.370	7	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6,6]C[6]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6,6]C[6]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|N<3>,2|C<3>,5|H<1>}	120.0330	0.000	1	120.0330	0.000	1	120.6326	0.370	7	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6,6]C[6]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]O)	C[5,6a](C[5,6]C[5,6,6]C[6]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	121.4880	0.000	1	121.4880	0.000	1	120.6326	0.370	7	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6]O[5,6]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]O[5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]O[5,6]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<3>,2|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]O[5,6]C[6])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	120.0880	0.000	1	120.6722	0.316	4	120.6326	0.370	7	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6]O[5,6]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]O[5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]O[5,6]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]O[5,6]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	120.4300	0.000	1	120.6722	0.316	4	120.6326	0.370	7	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6]O[5,6]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]O[5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]O[5,6]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]O[5,6]C[6])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	121.0855	0.455	2	120.6722	0.316	4	120.6326	0.370	7	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5]C[5,5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5]C[5,5,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	118.9080	0.000	1	118.9080	0.000	1	120.1170	2.923	2	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	121.3260	0.000	1	121.3260	0.000	1	120.1170	2.923	2	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a,6a]O)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,7|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a,6a]O)(H){6|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a]){1|O<2>,2|H<1>,7|C<3>}	124.0080	0.000	1	124.0080	0.000	1	124.0080	0.000	1	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6,6]C[6,6a]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]C[5,6,6]C[6,6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6,6]C[6,6a]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](N[5,6]C[5,6,6]C[6,6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){4|H<1>,5|C<3>}	120.7260	0.000	1	120.7260	0.000	1	120.7260	0.000	1	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5]N[5,5a]C[6a]C[3])(C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5]N[5,5a]C[6a]C[3])(C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|N<2>,3|C<3>}	119.9400	0.000	1	119.9400	0.000	1	119.9400	0.000	1	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5]C[5,6a]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5]C[5,6a]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	120.9460	0.107	2	120.9460	0.012	2	120.8111	0.248	8	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5]C[5,6a]C[6a]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5]C[5,6a]C[6a]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	120.7662	0.579	6	120.7662	0.336	6	120.8111	0.248	8	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	119.9270	0.000	1	119.9270	0.000	1	119.9270	0.000	1	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5]C[5a]C[6a]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5]C[5a]C[6a]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){2|H<1>,4|C<3>}	121.0040	0.000	1	121.0040	0.000	1	120.5645	0.386	2	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5]C[6a]N[5a]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5]C[6a]N[5a]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|N<3>,2|C<3>,3|H<1>}	120.1250	0.000	1	120.1250	0.000	1	120.5645	0.386	2	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5]C[5a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5]C[5a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	118.5135	0.415	2	118.5135	0.172	2	119.6623	1.011	12	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5]C[5a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5]C[5a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|O<1>,1|S<2>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	118.7810	0.000	1	118.7810	0.000	1	119.6623	1.011	12	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5]C[5a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5]C[5a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|S<2>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.3200	0.000	1	119.6367	0.089	3	119.6623	1.011	12	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5]C[5a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5]C[5a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	119.7950	0.164	2	119.6367	0.089	3	119.6623	1.011	12	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5]C[5a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5]C[5a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.6920	0.000	1	119.6920	0.000	1	119.6623	1.011	12	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5]C[5a]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]C)	C[5,6a](C[5]C[5a]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	122.0460	0.000	1	122.0460	0.000	1	119.6623	1.011	12	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5]C[5a]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5]C[5a]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	120.0420	0.858	2	120.0420	0.737	2	119.6623	1.011	12	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5]C[6a]N[5a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5]C[6a]N[5a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	119.1350	0.000	1	119.1350	0.000	1	119.6623	1.011	12	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5]N[5a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5]N[5a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	120.2720	0.000	1	120.2720	0.000	1	119.6623	1.011	12	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	Ga[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](Ga[5,5]C[5,6a]2N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Ga[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Ga[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](Ga[5,5]C[5,6a]2N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<4>,5|C<3>}	C[6a](C[5,6a]C[5,6a]Ga[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Ga[5,5]C[6a])(C[6a]C[6a]H){1|N<4>,3|H<1>,4|C<3>}	118.4673	0.417	4	118.4673	0.174	4	118.4673	0.174	4	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	Ge[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](Ge[5]C[5,6a]Ge[5]Pt)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Ge[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Ge[5])(C[6a]C[6a]H)	C[5,6a](Ge[5]C[5,6a]Ge[5]Pt)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|Ge<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]Ge[5])(C[6a]C[6a]H)(H){1|Ge<4>,1|Pt<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Ge[5])(C[6a]C[6a]H){1|Ge<4>,1|Pt<4>,3|C<3>,3|H<1>}	119.6125	0.306	4	119.6125	0.094	4	119.6125	0.094	4	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	In[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](In[5,5]C[5,6a]2N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]In[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]In[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](In[5,5]C[5,6a]2N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<4>,5|C<3>}	C[6a](C[5,6a]C[5,6a]In[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]In[5,5]C[6a])(C[6a]C[6a]H){1|N<4>,3|H<1>,4|C<3>}	118.9780	0.581	2	118.9780	0.338	2	118.9780	0.338	2	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	N[3x5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](N[3x5]C[5,6a]2In[3x5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[3x5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[3x5]C[6a])(N[5]In[3x5]C)(C[6a]C[6a]H)	C[5,6a](N[3x5]C[5,6a]2In[3x5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Ni<4>,1|C<4>,2|H<1>,2|N<3>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[3x5])(C[6a]C[6a]H)(H){1|In<5>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]N[3x5]C[6a])(N[5]In[3x5]C)(C[6a]C[6a]H){1|Ni<4>,2|H<1>,2|N<3>,3|C<3>}	120.7460	0.000	1	120.7460	0.000	1	120.7460	0.000	1	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	P[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](P[5,5]C[5,5]O[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[5,6a](P[5,5]C[5,5]O[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|P<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]P[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	121.6520	0.204	2	121.6520	0.041	2	121.6520	0.041	2	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	P[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](P[5,6]C[6,6a]C[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]P[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H)	C[5,6a](P[5,6]C[6,6a]C[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]P[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]P[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	120.8820	0.000	1	120.8820	0.000	1	121.2247	0.088	3	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	P[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](P[5,6]C[6,6a]C[5,6]S)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]P[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H)	C[5,6a](P[5,6]C[6,6a]C[5,6]S)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]P[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|S<1>,4|C<3>}	C[5,6a](C[5,6a]P[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H){1|S<1>,2|H<1>,3|C<3>}	121.3860	0.000	1	121.3860	0.000	1	121.2247	0.088	3	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	P[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](P[5,6]C[6,6a]C[5,6]Se)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]P[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H)	C[5,6a](P[5,6]C[6,6a]C[5,6]Se)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]P[5,6])(C[6a]C[6a]H)(H){1|Se<1>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]P[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H){1|Se<1>,2|H<1>,3|C<3>}	121.4060	0.000	1	121.4060	0.000	1	121.2247	0.088	3	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	P[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	O[4,4,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](P[5]In[3x4,5,5]C[6a]2)(C[5,6a]O[4,4,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](O[4,4,5]In[3x4,5,5]In[3x4,5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](P[5]In[3x4,5,5]C[6a]2)(C[5,6a]O[4,4,5]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|In<6>,1|P<4>,2|H<1>,2|O<3>,5|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|In<6>,1|H<1>,1|O<3>,3|C<3>}	C[5,6a](O[4,4,5]In[3x4,5,5]In[3x4,5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){3|Cl<1>,2|H<1>,2|O<3>,2|P<4>,3|C<3>}	119.5995	0.326	2	119.5995	0.106	2	119.5995	0.106	2	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	Se[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](Se[5,5]C[5,6]N[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Se[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]Se[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](Se[5,5]C[5,6]N[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]Se[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|N<4>,3|C<3>}	C[5,6a](C[5,6a]Se[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|N<3>,3|C<3>,3|H<1>}	119.8400	0.000	1	119.8400	0.000	1	121.6108	1.642	5	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	Se[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](Se[5,5]C[5,6a]N[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Se[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]Se[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](Se[5,5]C[5,6a]N[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]Se[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]Se[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|N<3>,2|H<1>,3|C<3>}	122.0535	0.939	4	122.0535	0.883	4	121.6108	1.642	5	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	Si[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](Si[5,6]C[5,6a]C[6]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Si[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](Si[5,6]C[5,6a]C[6]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]Si[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Si[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	118.7365	0.330	2	118.7365	0.109	2	118.7365	0.109	2	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	Si[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](Si[5,6]N[5]N[6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]Si[5,6]C[6a])(C[6a]C[6a]H)(N[5]N[5]H)	C[5,6a](Si[5,6]N[5]N[6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|N<3>}	C[5,6a](C[5,6a]Si[5,6]C[6a])(C[6a]C[6a]H)(N[5]N[5]H){2|C<3>,2|H<1>,2|N<3>}	117.4750	0.000	1	117.4750	0.000	1	117.4750	0.000	1	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	Si[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](Si[5]C[5,6a]Si[5]Pd)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](Si[5]C[5,6a]Si[5]Pd)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|Si<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){1|Pd<4>,1|Si<4>,3|C<3>,3|H<1>}	119.1590	0.779	2	119.1590	0.607	2	119.2875	0.343	10	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	Si[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](Si[5]C[5,6a]Si[5]Pt)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](Si[5]C[5,6a]Si[5]Pt)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|Si<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|Pt<4>,1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){1|Pt<4>,1|Si<4>,3|C<3>,3|H<1>}	119.4100	0.804	4	119.4100	0.647	4	119.2875	0.343	10	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:3:	Si[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](Si[5]C[5,6a]Si[5]Si)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](Si[5]C[5,6a]Si[5]Si)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|Si<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){2|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|Si<4>,3|C<3>,3|H<1>}	119.2293	0.380	4	119.2293	0.145	4	119.2875	0.343	10	120.2029	0.869	1897	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:4:	B[5,6a]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](B[5,6a]O[6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]B[5,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]B[5,6a]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5,6a](B[5,6a]O[6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|B<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]B[5,6a]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<4>,2|O<2>}	C[5,6a](C[5,6a]B[5,6a]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	117.5513	0.332	3	117.5513	0.110	3	117.5513	0.110	3	120.4505	1.885	97	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:4:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[3,5]B[3,3]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HP)	C[5,6a](C[3,5]B[3,3]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<2>,1|P<3>,5|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|B<5>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HP){1|C<3>,2|B<5>,4|H<1>}	118.8680	0.000	1	118.8680	0.000	1	119.7327	0.599	3	120.4505	1.885	97	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:4:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[3,5]C[3,5,6,6]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[3,5]C[3,5,6,6]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){5|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|C<4>,4|H<1>}	120.3600	0.000	1	120.3600	0.000	1	119.7327	0.599	3	120.4505	1.885	97	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:4:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[3,5]C[3,5]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[3,5]C[3,5]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,8|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|C<4>,4|H<1>}	119.9700	0.000	1	119.9700	0.000	1	119.7327	0.599	3	120.4505	1.885	97	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,6]HH)	C[5,6a](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){3|C<4>,4|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,3|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,6]HH){2|C<4>,2|H<1>,3|C<3>}	120.3365	0.005	2	120.3365	0.000	2	120.3365	0.000	2	120.4505	1.885	97	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,5]C[5,6a]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Br)	C[6a](C[5,6a]C[5,6a]C[5,5])2(Br)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[5,6a](C[5,5]C[5,6a]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Br){3|C<4>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])2(Br){4|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	119.6070	0.669	2	119.6070	0.447	2	119.6070	0.447	2	120.4505	1.885	97	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,5]CC)	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|B<3>,1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[5])(H){1|C<3>,1|H<1>,1|O<2>,6|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,5]CC){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	121.6560	0.492	14	121.6560	0.242	14	121.6560	0.242	14	120.4505	1.885	97	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(Br)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(C[5]C[5]CC)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]Br){1|Br<1>,1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(Br){1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(C[5]C[5]CC){1|Br<1>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.3070	0.747	2	119.3070	0.558	2	118.9755	0.427	4	120.4505	1.885	97	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(Br)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]Br){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(Br){2|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CC){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	118.6440	0.532	2	118.6440	0.283	2	118.9755	0.427	4	120.4505	1.885	97	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,5]C[3,5]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,5]C[3,5]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|O<2>,3|C<4>,7|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,4|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	120.7310	0.000	1	120.7310	0.000	1	121.0270	0.572	26	120.4505	1.885	97	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,5]C[5,6]C[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]N[6a]N[6])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]N[6a]C)(C[5]O[5]HH)	C[5,6a](C[5,5]C[5,6]C[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|N<3>,4|H<1>,5|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]N[6a]N[6])(H){1|C<3>,1|O<2>,5|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]N[6a]C)(C[5]O[5]HH){1|C<3>,1|H<1>,2|C<4>}	119.4890	0.000	1	119.4890	0.000	1	121.0270	0.572	26	120.4505	1.885	97	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,2|C<3>,4|H<1>}	121.1810	0.302	4	120.9608	0.650	17	121.0270	0.572	26	120.4505	1.885	97	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	121.5687	0.487	6	120.9608	0.650	17	121.0270	0.572	26	120.4505	1.885	97	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){2|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,2|C<4>,3|H<1>}	120.0300	0.203	6	120.9608	0.650	17	121.0270	0.572	26	120.4505	1.885	97	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,3|C<3>,3|H<1>}	122.0170	0.000	1	120.9608	0.650	17	121.0270	0.572	26	120.4505	1.885	97	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,4|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	121.6040	0.000	1	121.5520	0.005	2	121.0270	0.572	26	120.4505	1.885	97	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,4|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CC){1|N<3>,2|C<3>,4|H<1>}	121.5000	0.000	1	121.5520	0.005	2	121.0270	0.572	26	120.4505	1.885	97	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,4|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CH){1|N<3>,3|C<3>,3|H<1>}	121.4875	0.241	2	121.4653	0.031	3	121.0270	0.572	26	120.4505	1.885	97	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|S<4>,5|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CH){1|N<3>,3|C<3>,3|H<1>}	121.4210	0.000	1	121.4653	0.031	3	121.0270	0.572	26	120.4505	1.885	97	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]CH){3|C<3>,3|H<1>}	121.3990	0.000	1	121.3990	0.000	1	121.0270	0.572	26	120.4505	1.885	97	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CH)	C[5,6a](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CH){2|H<1>,3|C<3>}	121.2490	0.000	1	121.2490	0.000	1	121.0270	0.572	26	120.4505	1.885	97	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|O<1>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<4>,2|C<3>,3|H<1>}	118.9890	0.000	1	118.9890	0.000	1	119.0782	0.150	12	120.4505	1.885	97	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,1|I<1>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<4>,2|H<1>,3|C<3>}	119.1500	0.000	1	118.9909	0.072	10	119.0782	0.150	12	120.4505	1.885	97	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|O<1>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<4>,2|C<3>,3|H<1>}	119.1340	0.000	1	118.9909	0.072	10	119.0782	0.150	12	120.4505	1.885	97	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<4>,2|C<3>,3|H<1>}	118.7113	0.119	3	118.9909	0.072	10	119.0782	0.150	12	120.4505	1.885	97	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]N[5]OO){3|C<3>,3|H<1>}	119.2627	0.193	3	118.9909	0.072	10	119.0782	0.150	12	120.4505	1.885	97	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,4|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<4>,2|C<3>,3|H<1>}	118.8515	0.023	2	118.9909	0.072	10	119.0782	0.150	12	120.4505	1.885	97	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,5]C[5,6a]N[5]2)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,5]C[5,6a]N[5]2)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]N[5]OO){1|N<3>,2|C<3>,3|H<1>}	120.0410	0.000	1	120.0410	0.000	1	119.0782	0.150	12	120.4505	1.885	97	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5,5])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5a,6a]H)(C[5]C[5]CC)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){1|N<2>,3|C<3>,3|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5,5])(H){1|N<2>,1|N<3>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5a,6a]H)(C[5]C[5]CC){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	122.1240	0.000	1	122.1240	0.000	1	122.1240	0.000	1	120.4505	1.885	97	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6]HO)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H){1|O<2>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6]HO){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	121.9965	0.315	2	121.9965	0.099	2	121.5907	0.544	3	120.4505	1.885	97	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6]C[5,6]N[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6]HO)	C[5,6a](C[5,6]C[5,6]N[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|Br<1>,1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|N<3>,1|O<2>,4|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6]HO){1|Br<1>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	120.7790	0.000	1	120.7790	0.000	1	121.5907	0.544	3	120.4505	1.885	97	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]HH)	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]HH){2|H<1>,3|C<3>}	121.1745	0.187	4	121.1745	0.035	4	121.0900	0.207	14	120.4505	1.885	97	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,5|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|H<1>,4|C<3>}	121.0930	0.000	1	121.0930	0.000	1	121.0900	0.207	14	120.4505	1.885	97	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,4|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H){1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<2>,3|C<3>,3|H<1>}	120.7160	0.000	1	120.7160	0.000	1	121.0900	0.207	14	120.4505	1.885	97	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6]C[6,6a]C[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6]C[6,6a]C[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<2>,2|C<3>,4|H<1>}	120.6420	0.000	1	120.6420	0.000	1	121.0900	0.207	14	120.4505	1.885	97	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6]C[6]O[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5,6a](C[5,6]C[6]O[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC){1|O<2>,2|C<3>,2|H<1>}	121.4360	0.474	3	121.4360	0.225	3	121.0900	0.207	14	120.4505	1.885	97	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6]C[6]O[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]HH)	C[5,6a](C[5,6]C[6]O[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	121.3575	0.018	2	120.9507	0.443	4	121.0900	0.207	14	120.4505	1.885	97	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6]C[6]O[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]HH)	C[5,6a](C[5,6]C[6]O[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|O<2>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	119.9660	0.000	1	120.9507	0.443	4	121.0900	0.207	14	120.4505	1.885	97	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6]C[6]O[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]HH)	C[5,6a](C[5,6]C[6]O[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]HH){1|O<2>,2|C<3>,2|H<1>}	121.1220	0.000	1	120.9507	0.443	4	121.0900	0.207	14	120.4505	1.885	97	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6]C[6]N[5]S[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6]C[6]N[5]S[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<2>,1|S<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	119.1310	0.000	1	119.1310	0.000	1	119.1310	0.000	1	120.4505	1.885	97	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,6])(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,6]HH)	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){2|C<3>,3|H<1>,4|C<4>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,6])(H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,6]HH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	120.9370	0.000	1	120.9370	0.000	1	121.4415	0.509	2	120.4505	1.885	97	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,6])(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a,6a]H)(C[5]N[5,6]CH)	C[5,6a](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,6])(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a,6a]H)(C[5]N[5,6]CH){1|S<4>,2|H<1>,3|C<3>}	121.9460	0.000	1	121.9460	0.000	1	121.4415	0.509	2	120.4505	1.885	97	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:4:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5]C[3x3,4,3x5,14x6]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5]C[3x3,4,3x5,14x6]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,4|B<6>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<5>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<5>,1|O<2>,4|H<1>}	120.6210	0.000	1	120.6210	0.000	1	120.6210	0.000	1	120.4505	1.885	97	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:4:	Ge[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](Ge[5]C[6a]Ge[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Ge[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Ge[5])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5,6a](Ge[5]C[6a]Ge[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]Ge[5])(C[6a]C[6a]H)(H){1|Ge<4>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]Ge[5])(C[6a]C[6a]H)(C[5]O[5]CC){1|Ge<4>,1|C<4>,1|H<1>,2|C<3>}	118.9215	1.496	2	118.9215	2.237	2	118.9215	2.237	2	120.4505	1.885	97	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:4:	S[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](S[4,5]C[4]N[4]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]S[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]S[4,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5,6a](S[4,5]C[4]N[4]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]S[4,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]S[4,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.5060	0.048	2	121.5060	0.002	2	121.5060	0.002	2	120.4505	1.885	97	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:4:	Se[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](Se[4,5]C[4]N[4]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Se[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]Se[4,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5,6a](Se[4,5]C[4]N[4]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]Se[4,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]Se[4,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.9950	0.000	1	121.9950	0.000	1	121.9950	0.000	1	120.4505	1.885	97	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:4:	Si[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](Si[5]C[6a]Si[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5,6a](Si[5]C[6a]Si[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]O[5]CC){1|Si<4>,2|C<3>,2|H<1>}	117.3970	0.551	4	117.3970	0.303	4	117.3970	0.303	4	120.4505	1.885	97	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:2:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:O-1:	C[5,6a]-3:C[5,6]-4:O[6a]-2:	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[5,6]O[6a])(C[6a]C[6a,6a]O)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(O)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5,6]C[5,5,6]C[6]2)(O[6a]C[6a,6a])	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[5,6]O[6a])(C[6a]C[6a,6a]O){2|H<1>,3|C<3>,4|C<4>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5,6]C[5,5,6]C[6]2)(O[6a]C[6a,6a]){2|O<1>,3|C<3>,3|C<4>,4|H<1>}	121.0190	0.000	1	121.0190	0.000	1	121.0190	0.000	1	120.3555	1.011	11	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:2:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:O-1:	C[5,6a]-3:C[5]-4:O[6a]-2:	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]O[6a]C[5])(C[6a]C[6a,6a]O)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(O)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]CH)(O[6a]C[6a,6a])	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]O[6a]C[5])(C[6a]C[6a,6a]O){3|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]CH)(O[6a]C[6a,6a]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	120.6633	0.741	8	120.6633	0.548	8	120.6633	0.548	8	120.3555	1.011	11	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:2:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]N[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,6]HH)(N[6a]C[6a])	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]N[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|N<2>,1|O<2>,4|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,6]HH)(N[6a]C[6a]){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	118.4860	0.000	1	118.4860	0.000	1	118.4860	0.000	1	120.3555	1.011	11	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]N[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(N[6a]C[6a])	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]N[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	119.0990	0.000	1	119.0990	0.000	1	119.0990	0.000	1	120.3555	1.011	11	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	B[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](B[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5]N[5,5]HH)(C[6a]C[6a]H)	C[5,6a](B[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<4>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5]N[5,5]HH)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	117.8330	0.000	1	117.5870	0.121	2	117.5870	0.121	2	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	B[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](B[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5]N[5,5]HH)(C[6a]C[6a]H)	C[5,6a](B[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,4|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<4>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5]N[5,5]HH)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	117.3410	0.000	1	117.5870	0.121	2	117.5870	0.121	2	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	B[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](B[5,5]C[5,6a]O[5]2)(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]B[5,5]C[6a])(Si[5]O[5]CC)(C[6a]C[6a]F)	C[5,6a](B[5,5]C[5,6a]O[5]2)(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){1|Si<4>,1|F<1>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]B[5,5]C[6a])(Si[5]O[5]CC)(C[6a]C[6a]F){1|O<2>,2|C<3>,2|H<1>}	118.9315	0.159	2	118.9315	0.025	2	118.9315	0.025	2	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	B[5,5a]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](B[5,5a]N[4,5]O[5a]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]B[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]B[5,5a]C[6a])(C[5]N[4,5]HH)(C[6a]C[6a]H)	C[5,6a](B[5,5a]N[4,5]O[5a]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]B[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<4>,2|O<2>}	C[5,6a](C[5,6a]B[5,5a]C[6a])(C[5]N[4,5]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	118.5280	0.429	2	118.5280	0.184	2	118.5280	0.184	2	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	B[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](B[5,6,6]N[5,6]N[6,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]B[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]B[5,6,6]C[6a])(C[5]N[5,6]HH)(C[6a]C[6a]H)	C[5,6a](B[5,6,6]N[5,6]N[6,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]B[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|N<3>}	C[5,6a](C[5,6a]B[5,6,6]C[6a])(C[5]N[5,6]HH)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	116.9510	0.000	1	116.9510	0.000	1	116.9510	0.000	1	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[3,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a](C[3,5,6]C[3,6]N[3,5]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[3,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5,6]C[6a])(S[5]N[3,5]OO)(C[6a]C[6a]H)	C[5,6a](C[3,5,6]C[3,6]N[3,5]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<1>,5|H<1>}	C[6a](C[5,6a]C[3,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[3,5,6]C[6a])(S[5]N[3,5]OO)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	119.9070	0.000	1	119.9070	0.000	1	119.9070	0.000	1	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[3,5]C[3,5]C[3,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]HH)(C[6a]C[6a]H)	C[5,6a](C[3,5]C[3,5]C[3,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,4|H<1>}	124.2210	3.989	2	124.2210	15.916	2	121.6821	5.842	7	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]C[6a]H)(C[6a]C[6a]H)	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]C[6a]H)(C[6a]C[6a]H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	121.2170	0.000	1	121.2170	0.000	1	121.6821	5.842	7	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]C[6a]O)(C[6a]C[6a]H)	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Si<4>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]C[6a]O)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	120.0090	0.000	1	120.2085	0.080	2	121.6821	5.842	7	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]C[6a]O)(C[6a]C[6a]H)	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Si<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]C[6a]O)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	120.4080	0.000	1	120.2085	0.080	2	121.6821	5.842	7	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]HH)(C[6a]C[6a]H)	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	120.5170	0.000	1	120.5170	0.000	1	121.6821	5.842	7	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[3,5]C[3,5]O[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]C[6a]C)(C[6a]C[6a]H)	C[5,6a](C[3,5]C[3,5]O[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]C[6a]C)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	121.1820	0.000	1	121.1820	0.000	1	121.6821	5.842	7	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a](C[3,5]N[3,5]C[3]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(S[5]N[3,5]OO)(C[6a]C[6a]H)	C[5,6a](C[3,5]N[3,5]C[3]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(S[5]N[3,5]OO)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	119.1240	0.380	2	119.1240	0.145	2	119.2590	0.277	5	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a](C[3,5]N[3,5]C[3]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(S[5]N[3,5]OO)(C[6a]C[6a]H)	C[5,6a](C[3,5]N[3,5]C[3]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|I<1>,2|C<3>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(S[5]N[3,5]OO)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	119.1960	0.000	1	119.1960	0.000	1	119.2590	0.277	5	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a](C[3,5]N[3,5]C[3]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(S[5]N[3,5]OO)(C[6a]C[6a]H)	C[5,6a](C[3,5]N[3,5]C[3]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|C<3>,2|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|S<4>,2|H<1>}	C[5,6a](C[5,6a]C[3,5]C[6a])(S[5]N[3,5]OO)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	118.7670	0.000	1	118.7670	0.000	1	119.2590	0.277	5	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a](C[3,5]N[3,5]C[6a]O[3])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(S[5]N[3,5]OO)(C[6a]C[6a]H)	C[5,6a](C[3,5]N[3,5]C[6a]O[3])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(S[5]N[3,5]OO)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	120.0840	0.000	1	120.0840	0.000	1	119.2590	0.277	5	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[3x5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a](C[3x5,6]C[5,6,6a]N[5,5,6]C[5,5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[3x5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3x5,6]C[6a])(S[5]N[5,5,6]OO)(C[6a]C[6a]H)	C[5,6a](C[3x5,6]C[5,6,6a]N[5,5,6]C[5,5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[3x5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[3x5,6]C[6a])(S[5]N[5,5,6]OO)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	119.2060	0.000	1	119.2060	0.000	1	119.2060	0.000	1	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[4,5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[4,5,5]C[4,5,5]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[4,5,5]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5,5]C[6a])(C[5]C[4,5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[4,5,5]C[4,5,5]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,4|C<3>,6|H<1>}	C[6a](C[5,6a]C[4,5,5]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	C[5,6a](C[5,6a]C[4,5,5]C[6a])(C[5]C[4,5,5]HH)(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	120.0490	0.492	2	120.0490	0.242	2	120.0490	0.242	2	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[4,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a](C[4,5,6]C[4,6a]C[4,6]N[5,6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[4,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H)	C[5,6a](C[4,5,6]C[4,6a]C[4,6]N[5,6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[4,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[4,5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	118.9130	0.000	1	118.9130	0.000	1	118.9130	0.000	1	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[4,5]C[4,5]C[4,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]HH)(C[6a]C[6a]H)	C[5,6a](C[4,5]C[4,5]C[4,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|F<1>,2|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	120.3720	0.000	1	120.5375	0.055	2	120.5543	0.028	3	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[4,5]C[4,5]C[4,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]HH)(C[6a]C[6a]H)	C[5,6a](C[4,5]C[4,5]C[4,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|F<1>,2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	120.7030	0.000	1	120.5375	0.055	2	120.5543	0.028	3	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	120.5880	0.000	1	120.5880	0.000	1	120.5543	0.028	3	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a](C[4,5]N[4,5]C[4]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(S[5]N[4,5]OO)(C[6a]C[6a]H)	C[5,6a](C[4,5]N[4,5]C[4]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(S[5]N[4,5]OO)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	119.0720	0.634	2	119.0720	0.401	2	119.0333	0.205	3	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a](C[4,5]N[4,5]C[6a]C[4])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(S[5]N[4,5]OO)(C[6a]C[6a]H)	C[5,6a](C[4,5]N[4,5]C[6a]C[4])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(S[5]N[4,5]OO)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	118.9560	0.000	1	118.9560	0.000	1	119.0333	0.205	3	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,3x6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,3x6]C[6,6,6a]C[5,6,6]C[5x6])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,3x6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,3x6]C[6a])(Si[5]C[5,6,6]CC)(C[6a]C[6a]H)	C[5,6a](C[5,3x6]C[6,6,6a]C[5,6,6]C[5x6])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,3x6]C[5,6a])(C[6a]C[6a]H)(H){1|Si<4>,1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,3x6]C[6a])(Si[5]C[5,6,6]CC)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	118.5820	0.000	1	118.5820	0.000	1	120.0615	4.378	2	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,3x6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,3x6]C[6,6,6a]C[5,6,6]O[6,6])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,3x6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,3x6]C[6a])(Si[5]C[5,6,6]CC)(C[6a]C[6a]H)	C[5,6a](C[5,3x6]C[6,6,6a]C[5,6,6]O[6,6])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,3x6]C[5,6a])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,3x6]C[6a])(Si[5]C[5,6,6]CC)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	121.5410	0.000	1	121.5410	0.000	1	120.0615	4.378	2	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5,6,6]C[5,3x6]C[5,6,6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,5,6,6]C[5,3x6]C[5,6,6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,8|H<1>}	C[6a](C[5,6a]C[5,5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	121.0885	0.025	2	121.0885	0.001	2	121.0885	0.001	2	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5a,6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[5a,6a]C[5a,6a]O[5a])(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]HO)(C[6a]C[5a,6a]O)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){2|C<3>,2|C<4>,3|H<1>,3|O<2>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[5a,6a]C[5a,6a]O[5a])(H){1|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]HO)(C[6a]C[5a,6a]O){2|C<3>,2|C<4>,3|H<1>}	121.5220	0.045	2	121.5220	0.002	2	121.5220	0.002	2	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5,6]C[5,5,6]C[6]H)(C[6a]C[6a]H)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,4|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5,6]C[5,5,6]C[6]H)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	120.9960	0.137	3	120.9960	0.019	3	120.8652	0.328	6	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5,6]C[5,5,6]C[6]H)(C[6a]C[6a]H)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5,6]C[5,5,6]C[6]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	120.9770	0.000	1	120.9770	0.000	1	120.8652	0.328	6	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]O)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5,6]C[5,5,6]C[6]H)(C[6a]C[6a]H)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]O)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5,6]C[5,5,6]C[6]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	119.7730	0.000	1	119.7730	0.000	1	120.8652	0.328	6	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,5,6]C[5,6]O[5,6]C[5])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5,6]O[5,6]C[6]H)(C[6a]C[6a]H)	C[5,6a](C[5,5,6]C[5,6]O[5,6]C[5])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|C<3>,4|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5,6]O[5,6]C[6]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	121.4530	0.000	1	121.4530	0.000	1	120.8652	0.328	6	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]HO)(C[6a]C[6a]H)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]HO)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	119.3700	0.000	1	119.3700	0.000	1	120.6017	0.903	7	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5,6]C[5,5,6]C[5,6a]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6a]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]HH)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>,3|O<2>}	120.5270	0.761	4	120.5270	0.579	4	120.6017	0.903	7	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5,6]C[5,5,6]C[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,5,6]C[5,5,6]C[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	122.0640	0.000	1	122.0640	0.000	1	120.6017	0.903	7	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,4|C<4>,6|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	120.6700	0.000	1	120.6700	0.000	1	120.6017	0.903	7	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]O)(C[6a]C[5,6a]H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){3|H<1>,3|O<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]O)(C[6a]C[5,6a]H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	121.1840	0.000	1	121.1840	0.000	1	121.1840	0.000	1	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a](C[5,5]N[5,5]O[5]H)(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5]N[5,5]OO)(C[6a]C[6a]H)	C[5,6a](C[5,5]N[5,5]O[5]H)(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|N<4>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5]N[5,5]OO)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	122.5380	0.000	2	122.5380	0.000	2	122.5380	0.000	2	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a](C[5,5]C[3,5]N[5]O[5])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[3,5]C[3,5]O[3]H)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[3,5]N[5]O[5])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[3,5]C[3,5]O[3]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.5470	0.000	1	120.5470	0.000	1	120.5470	0.000	1	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]O[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]O[5]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	120.1470	0.000	1	120.1470	0.000	1	120.2740	0.519	5	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]H){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	119.4930	0.000	1	119.5995	0.023	2	120.2740	0.519	5	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]H){1|C<4>,2|C<2>,3|C<3>,3|H<1>}	119.7060	0.000	1	119.5995	0.023	2	120.2740	0.519	5	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[3x5]O)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[3x5]O)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|O<2>,4|C<3>}	121.1480	0.000	1	121.1480	0.000	1	120.2740	0.519	5	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[3x5]O)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]O[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[3x5]O)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]O[5]O)(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	120.8760	0.000	1	120.8760	0.000	1	120.2740	0.519	5	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	120.3635	0.176	2	120.6150	0.205	3	120.8534	0.418	105	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|O<2>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	121.1180	0.000	1	120.6150	0.205	3	120.8534	0.418	105	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]C[5]Fe)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HN)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]C[5]Fe)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|Fe<10>,1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HN)(C[6a]C[6a]H){1|Fe<10>,1|C<3>,2|C<4>,2|H<1>}	120.7640	0.000	1	120.7640	0.000	1	120.8534	0.418	105	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<2>,1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5440	0.000	2	120.5440	0.000	2	120.8534	0.418	105	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	120.6690	0.000	1	120.1734	0.304	9	120.8534	0.418	105	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	120.2409	0.450	7	120.1734	0.304	9	120.8534	0.418	105	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	119.2060	0.000	1	120.1734	0.304	9	120.8534	0.418	105	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|C<3>,3|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[5]C)(C[6a]C[6a]H){1|C<3>,4|C<4>,5|H<1>}	120.4770	0.000	1	120.4770	0.000	1	120.8534	0.418	105	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	120.9950	0.000	1	120.3617	0.311	3	120.8534	0.418	105	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	119.9450	0.000	1	120.3617	0.311	3	120.8534	0.418	105	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,7|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	120.1450	0.000	1	120.3617	0.311	3	120.8534	0.418	105	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HN)(C[6a]C[6a]C)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|N<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HN)(C[6a]C[6a]C){3|C<3>,4|H<1>}	120.5780	0.000	1	120.5780	0.000	1	120.8534	0.418	105	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,4|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	121.1770	0.000	1	120.9134	0.098	5	120.8534	0.418	105	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,4|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	120.8475	0.318	4	120.9134	0.098	5	120.8534	0.418	105	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]O)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|O<2>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]O){1|C<4>,4|C<3>,4|H<1>}	121.7506	0.589	5	121.7506	0.347	5	120.8534	0.418	105	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,3|O<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	121.4890	0.000	1	121.4890	0.000	1	120.8534	0.418	105	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]O)(C[6a]C[6a]O)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,4|O<2>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]O)(C[6a]C[6a]O){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	122.0300	0.000	1	122.0300	0.000	1	120.8534	0.418	105	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<3>}	121.6710	0.482	2	121.6710	0.233	2	120.8534	0.418	105	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,2|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	119.7270	0.000	1	119.7270	0.000	1	120.8534	0.418	105	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<3>}	120.7930	0.000	1	120.7930	0.000	1	120.8534	0.418	105	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]O)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,3|O<2>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	121.2880	0.000	1	121.2880	0.000	1	120.8534	0.418	105	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,3|O<2>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<3>}	121.7070	0.000	1	121.7070	0.000	1	120.8534	0.418	105	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]N[5,5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]N[5,5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	121.1300	0.000	1	121.4093	0.191	3	120.8534	0.418	105	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]N[5,5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]N[5,5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	121.5490	0.515	2	121.4093	0.191	3	120.8534	0.418	105	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	121.5910	0.000	1	121.5910	0.000	1	120.8534	0.418	105	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,1|S<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	121.2495	0.158	2	120.9178	0.271	38	120.8534	0.418	105	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,4|H<1>}	120.8942	0.090	4	120.9178	0.271	38	120.8534	0.418	105	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	120.2850	0.045	2	120.9178	0.271	38	120.8534	0.418	105	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,1|P<4>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	120.6920	0.000	1	120.9178	0.271	38	120.8534	0.418	105	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	120.8545	1.214	2	120.9178	0.271	38	120.8534	0.418	105	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	121.1273	0.399	4	120.9178	0.271	38	120.8534	0.418	105	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	120.5730	0.000	1	120.9178	0.271	38	120.8534	0.418	105	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Ir<4>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	122.1300	0.000	1	120.9178	0.271	38	120.8534	0.418	105	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Ir<6>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	120.0950	0.047	2	120.9178	0.271	38	120.8534	0.418	105	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	120.8250	0.000	1	120.9178	0.271	38	120.8534	0.418	105	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|S<4>,2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,2|N<3>,4|H<1>}	121.2330	0.000	1	120.9178	0.271	38	120.8534	0.418	105	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	120.7870	0.000	1	120.9178	0.271	38	120.8534	0.418	105	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Ni<4>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	121.2695	0.297	4	120.9178	0.271	38	120.8534	0.418	105	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Ni<5>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	121.3230	0.000	1	120.9178	0.271	38	120.8534	0.418	105	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,1|S<3>,2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	121.4900	0.000	1	120.9178	0.271	38	120.8534	0.418	105	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,4|H<1>}	121.3325	0.503	2	120.9178	0.271	38	120.8534	0.418	105	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	120.5070	0.000	1	120.9178	0.271	38	120.8534	0.418	105	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	120.5880	0.000	1	120.9178	0.271	38	120.8534	0.418	105	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Rh<4>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	120.7570	0.321	2	120.9178	0.271	38	120.8534	0.418	105	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Rh<8>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	120.5960	0.000	1	120.9178	0.271	38	120.8534	0.418	105	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	121.4270	0.000	1	120.9178	0.271	38	120.8534	0.418	105	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Zn<4>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	120.1980	0.024	2	120.9178	0.271	38	120.8534	0.418	105	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]O)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	120.2890	0.000	1	120.2890	0.000	1	120.8534	0.418	105	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	120.0320	0.000	1	120.2200	0.071	2	120.8534	0.418	105	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	120.4080	0.000	1	120.2200	0.071	2	120.8534	0.418	105	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|N<2>,1|O<2>,2|C<3>,3|H<1>}	121.3470	0.000	1	121.3470	0.000	1	120.8534	0.418	105	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|O<2>,2|C<3>,4|H<1>}	121.6350	0.000	1	121.1522	0.183	4	120.8534	0.418	105	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,2|O<2>,4|H<1>}	121.1885	0.064	2	121.1522	0.183	4	120.8534	0.418	105	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|O<2>,2|C<3>,4|H<1>}	120.5970	0.000	1	121.1522	0.183	4	120.8534	0.418	105	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	120.7530	0.000	1	120.7690	0.285	4	120.8534	0.418	105	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H){1|O<2>,2|C<3>,4|H<1>}	120.7743	0.653	3	120.7690	0.285	4	120.8534	0.418	105	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]N)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|O<2>,2|C<3>,4|H<1>}	121.8330	0.000	1	121.8330	0.000	1	120.8534	0.418	105	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]O[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]O[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>,3|O<2>}	120.7695	0.633	2	120.7695	0.401	2	120.8534	0.418	105	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]BrH)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]BrH)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	120.6430	0.000	1	120.6430	0.000	1	120.8534	0.418	105	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	120.3450	0.000	1	120.2743	0.027	3	120.8534	0.418	105	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|N<3>,2|C<3>,4|H<1>}	120.0860	0.000	1	120.2743	0.027	3	120.8534	0.418	105	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){3|C<3>,4|H<1>}	120.3920	0.000	1	120.2743	0.027	3	120.8534	0.418	105	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){4|H<1>,5|C<3>}	121.1570	0.000	1	121.1570	0.000	1	120.8534	0.418	105	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	121.2600	0.000	1	121.2600	0.000	1	120.8534	0.418	105	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]CH)(C[6a]C[6a]H)	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<2>,1|S<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]CH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	121.5340	0.000	1	121.5340	0.000	1	120.8534	0.418	105	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]CH)(C[6a]C[6a]H)	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,1|S<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]CH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	120.6000	0.000	1	119.7540	0.571	3	120.8534	0.418	105	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]CH)(C[6a]C[6a]H)	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]CH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	119.3310	0.263	2	119.7540	0.571	3	120.8534	0.418	105	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]C[5,5]NO)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]C[5,5]NO)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	116.9560	0.000	1	116.9560	0.000	1	118.6286	0.513	14	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]C[5,5]OO)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|O<1>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]C[5,5]OO)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	118.3650	0.000	1	118.3650	0.000	1	118.6286	0.513	14	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]C[5,5]OO)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>,3|O<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|O<2>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]C[5,5]OO)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	119.5180	0.000	1	119.5180	0.000	1	118.6286	0.513	14	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]N[5,5]OO)(C[6a]C[6a]H)	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|C<3>,2|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]N[5,5]OO)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	119.1540	0.000	1	118.6258	0.126	5	118.6286	0.513	14	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]N[5,5]OO)(C[6a]C[6a]H)	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]N[5,5]OO)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	118.5740	0.000	1	118.6258	0.126	5	118.6286	0.513	14	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]N[5,5]OO)(C[6a]C[6a]H)	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]N[5,5]OO)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	118.5065	0.371	2	118.6258	0.126	5	118.6286	0.513	14	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]N[5,5]OO)(C[6a]C[6a]H)	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]N[5,5]OO)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	118.3880	0.000	1	118.6258	0.126	5	118.6286	0.513	14	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]N[5,5]OO)(C[6a]C[6a]H)	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|S<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]N[5,5]OO)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	118.2370	0.000	1	118.2370	0.000	1	118.6286	0.513	14	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a](C[5,5]N[5,5]C[6a]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]N[5,5]OO)(C[6a]C[6a]H)	C[5,6a](C[5,5]N[5,5]C[6a]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]N[5,5]OO)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	118.2180	0.000	1	118.4317	0.062	3	118.6286	0.513	14	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a](C[5,5]N[5,5]C[6a]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]N[5,5]OO)(C[6a]C[6a]H)	C[5,6a](C[5,5]N[5,5]C[6a]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|O<1>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]N[5,5]OO)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	118.5385	0.234	2	118.4317	0.062	3	118.6286	0.513	14	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a](C[5,5]N[5,5]O[5]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]N[5,5]OO)(C[6a]C[6a]H)	C[5,6a](C[5,5]N[5,5]O[5]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|O<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|S<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]N[5,5]OO)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.6500	0.170	2	119.6500	0.029	2	118.6286	0.513	14	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]C[5]Fe)(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]C[5]Fe)(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|Fe<10>,1|Si<4>,1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[6a]H){1|Fe<10>,1|C<3>,2|C<4>,2|H<1>}	120.8315	0.401	2	120.8315	0.161	2	120.8315	0.161	2	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6,6]C[5,6,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6,6]C[5,6,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	120.1880	0.000	2	120.1880	0.000	2	120.7082	0.976	8	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6,6]C[5,6,6]C[3x6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6,6]C[5,6,6]C[3x6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	120.6040	0.000	1	120.6040	0.000	1	120.7082	0.976	8	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	119.7195	0.121	2	120.5587	2.120	3	120.7082	0.976	8	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	122.2370	0.000	1	120.5587	2.120	3	120.7082	0.976	8	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,4|C<4>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]H){1|C<3>,2|H<1>,4|C<4>}	120.9130	0.000	1	121.5050	0.701	2	120.7082	0.976	8	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,4|C<4>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	122.0970	0.000	1	121.5050	0.701	2	120.7082	0.976	8	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,7|H<1>}	120.6430	0.000	1	120.6430	0.000	1	120.9860	0.321	4	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6]C[6,6]O[5,6]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]O[5,6]C[6]H)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6]O[5,6]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]O[5,6]C[6]H)(C[6a]C[6a]H){3|C<3>,5|H<1>}	120.7170	0.000	1	120.7170	0.000	1	120.9860	0.321	4	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6]C[6,6a]O[5,6]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]O[5,6]O[6]H)(C[6a]C[6a]O)	C[5,6a](C[5,6]C[6,6a]O[5,6]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]O[5,6]O[6]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	121.2920	0.765	2	121.2920	0.585	2	120.9860	0.321	4	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,5,6]CH)(C[6a]C[6a]C)	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,4|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,5,6]CH)(C[6a]C[6a]C){1|C<3>,3|C<4>,3|H<1>}	120.4260	0.000	1	120.4260	0.000	1	120.6782	0.491	69	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,6,6]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6,6]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	119.3520	0.000	2	119.3520	0.000	2	120.6782	0.491	69	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,6,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	120.2790	0.000	2	120.2790	0.000	2	120.6782	0.491	69	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,6,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6,6]HO)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6,6]HO)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	119.9430	0.000	1	119.9430	0.000	1	120.6782	0.491	69	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]C)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<3>,5|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]C){1|C<3>,2|H<1>,4|C<4>}	120.7070	0.000	1	120.7070	0.000	1	120.6782	0.491	69	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6]Cr)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]C[6]Cr)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|Cr<9>,1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|Cr<9>,1|C<3>,2|C<4>,2|H<1>}	121.7880	0.000	1	121.7880	0.000	1	120.6782	0.491	69	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6]Cr)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]PdH)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]C[6]Cr)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Pd<5>,1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|Cr<9>,1|C<3>,1|C<5>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]PdH)(C[6a]C[6a]H){1|Cr<9>,1|C<3>,2|C<4>,2|H<1>}	121.1397	0.034	4	121.2892	0.113	5	120.6782	0.491	69	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6]Cr)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]PdH)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]C[6]Cr)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Pd<6>,1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|Cr<9>,1|C<3>,1|C<5>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]PdH)(C[6a]C[6a]H){1|Cr<9>,1|C<3>,2|C<4>,2|H<1>}	121.8870	0.000	1	121.2892	0.113	5	120.6782	0.491	69	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	119.9990	0.000	1	119.9990	0.000	1	120.6782	0.491	69	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H){3|C<3>,4|H<1>}	120.8063	0.237	3	120.8063	0.056	3	120.6782	0.491	69	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[5]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	120.6845	0.013	2	120.6845	0.000	2	120.6782	0.491	69	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6]C)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|C<3>,3|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6]C)(C[6a]C[6a]H){1|C<3>,4|C<4>,5|H<1>}	119.8882	0.357	4	119.8882	0.127	4	120.6782	0.491	69	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	119.3160	0.000	1	120.1130	1.270	2	120.6782	0.491	69	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){3|C<3>,4|H<1>}	120.9100	0.000	1	120.1130	1.270	2	120.6782	0.491	69	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	120.4710	0.180	2	120.4710	0.032	2	120.6782	0.491	69	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]O)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,3|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]O){1|C<4>,2|C<3>,4|H<1>}	121.5130	0.000	1	121.5130	0.000	1	120.6782	0.491	69	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	121.1890	0.000	1	121.1890	0.000	1	120.6782	0.491	69	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	120.7880	0.000	1	120.7125	0.011	2	120.6782	0.491	69	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	120.6370	0.000	1	120.7125	0.011	2	120.6782	0.491	69	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,7|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	120.1450	0.574	2	120.1450	0.330	2	120.6782	0.491	69	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	120.9170	0.000	1	120.9040	0.100	5	120.6782	0.491	69	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	120.9008	0.366	4	120.9040	0.100	5	120.6782	0.491	69	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,6]N[6,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]N[6,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Se<2>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|Se<2>,1|C<3>,1|N<3>,4|H<1>}	121.3770	0.000	1	121.3770	0.000	1	120.6782	0.491	69	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	121.4510	0.000	1	120.5985	0.651	4	120.6782	0.491	69	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,4|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	120.2605	0.984	2	120.5985	0.651	4	120.6782	0.491	69	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	120.4220	0.000	1	120.5985	0.651	4	120.6782	0.491	69	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]O)	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	120.9850	0.000	1	120.9850	0.000	1	120.6782	0.491	69	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	121.4020	0.000	1	121.4020	0.000	1	120.6782	0.491	69	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	121.0017	0.096	3	121.0396	0.016	5	120.6782	0.491	69	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	120.9660	0.000	1	121.0396	0.016	5	120.6782	0.491	69	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	121.2270	0.000	1	121.0396	0.016	5	120.6782	0.491	69	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	122.9750	0.000	1	122.9750	0.000	1	120.6782	0.491	69	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[6,6]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	120.2630	0.000	2	120.2630	0.000	2	120.6782	0.491	69	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[6,6a]C[5,6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]C[5,6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	120.5885	0.056	2	120.5885	0.003	2	120.6782	0.491	69	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H){1|N<3>,2|C<3>,4|H<1>}	120.5620	0.000	2	120.5620	0.000	2	120.6782	0.491	69	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	120.3497	0.633	3	120.6110	0.334	5	120.6782	0.491	69	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|N<3>,2|C<3>,4|H<1>}	121.1060	0.000	1	120.6110	0.334	5	120.6782	0.491	69	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){3|C<3>,4|H<1>}	120.9000	0.000	1	120.6110	0.334	5	120.6782	0.491	69	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){5|C<3>,7|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	120.4510	0.000	1	120.4510	0.000	1	120.6782	0.491	69	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]CH)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]CH)(C[6a]C[6a]H){1|S<4>,2|C<3>,3|H<1>}	121.0100	0.000	1	121.0100	0.000	1	120.6782	0.491	69	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]CH)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]CH)(C[6a]C[6a]H){1|S<4>,2|C<3>,3|H<1>}	120.9700	0.033	2	120.9700	0.001	2	120.6782	0.491	69	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]N[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]HO)(C[6a]C[6a]H)	C[5,6a](C[5,6]N[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]HO)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	121.3750	0.276	2	121.3750	0.076	2	120.6782	0.491	69	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]Si[5,6]C[6]B)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]Si[5,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6]Si[5,6]C[6]B)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|Si<4>,1|B<3>,1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]Si[5,6]HH)(C[6a]C[6a]H){1|B<3>,2|C<3>,2|C<4>,2|H<1>}	118.4120	0.000	1	118.4120	0.000	1	120.6782	0.491	69	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,6]S[6]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]C[5,6]OO)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]S[6]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|S<2>,1|S<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]C[5,6]OO)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,4|H<1>}	118.7295	0.619	2	118.7295	0.383	2	118.6201	0.183	10	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[6,6]N[5,6]O)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6]N[5,6]O)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<3>,2|O<1>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|S<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	117.9320	0.000	1	117.9320	0.000	1	118.6201	0.183	10	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|N<3>,1|S<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H){3|C<3>,3|H<1>}	118.4410	0.067	3	118.4410	0.005	3	118.6201	0.183	10	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a](C[5,6]N[5,6]C[6]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H)	C[5,6a](C[5,6]N[5,6]C[6]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	118.8680	0.000	1	118.8680	0.000	1	118.6201	0.183	10	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a](C[5,6]N[5,6]C[6]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H)	C[5,6a](C[5,6]N[5,6]C[6]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	118.6970	0.000	1	118.6970	0.000	1	118.6201	0.183	10	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a](C[5,6]N[5,6]C[6a]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H)	C[5,6a](C[5,6]N[5,6]C[6a]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,2|O<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	118.5340	0.000	1	118.5340	0.000	1	118.6201	0.183	10	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a](C[5,6]N[5a,6]N[5,6]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H)	C[5,6a](C[5,6]N[5a,6]N[5,6]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	119.3880	0.000	1	119.3880	0.000	1	118.6201	0.183	10	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5]C[5,6]C[6a]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]CH)(C[6a]C[6a]H)	C[5,6a](C[5]C[5,6]C[6a]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]CH)(C[6a]C[6a]H){3|H<1>,4|C<3>}	120.5490	0.000	1	120.5490	0.000	1	120.4510	0.019	2	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5]C[6a]C[6]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]C)(C[6a]C[6a]H)	C[5,6a](C[5]C[6a]C[6]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	120.3530	0.000	1	120.3530	0.000	1	120.4510	0.019	2	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	Ge[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](Ge[4,5]Ge[4,5]C[6a]P[4])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Ge[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]Ge[4,5]C[6a])(P[5]Ge[4,5]C[6a]2)(C[6a]C[6a]H)	C[5,6a](Ge[4,5]Ge[4,5]C[6a]P[4])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]Ge[4,5])(C[6a]C[6a]H)(H){1|Ge<3>,1|H<1>,1|P<2>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]Ge[4,5]C[6a])(P[5]Ge[4,5]C[6a]2)(C[6a]C[6a]H){1|P<2>,2|H<1>,7|C<3>}	117.6310	1.471	2	117.6310	2.163	2	117.6310	2.163	2	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	N[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](N[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](N[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,7|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	123.5700	0.000	1	123.5700	0.000	1	123.5700	0.000	1	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	N[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](N[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5,6a](N[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,7|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	123.9240	0.000	1	123.9240	0.000	1	123.9240	0.000	1	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	Si[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](Si[5,5]C[3x3,4x5,12x6]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]Si[5,5]C[6a])(C[5]C[6a]O[5]H)(C[6a]C[6a]H)	C[5,6a](Si[5,5]C[3x3,4x5,12x6]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|B<5>,1|C<4>,1|C<5>,2|B<6>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]Si[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|C<5>,1|H<1>,1|N<3>,1|O<2>}	C[5,6a](C[5,6a]Si[5,5]C[6a])(C[5]C[6a]O[5]H)(C[6a]C[6a]H){1|C<5>,1|N<3>,2|H<1>,3|C<3>}	118.1500	0.000	1	118.1500	0.000	1	117.7855	0.266	2	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:4:3:	Si[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](Si[5,5]C[5]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]Si[5,5]C[6a])(C[5]C[6a]O[5]H)(C[6a]C[6a]H)	C[5,6a](Si[5,5]C[5]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|Si<4>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]Si[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]Si[5,5]C[6a])(C[5]C[6a]O[5]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	117.4210	0.000	1	117.4210	0.000	1	117.7855	0.266	2	120.4634	1.385	278	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	B[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:F-1:	B[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](B[5,5]C[5,6a]2N[5])(C[5,6a]B[5,5]C[6a])(C[6a]C[6a]F)	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]F)(F)	C[5,6a](B[5,5]C[5,6a]2N[5])(C[5,6a]B[5,5]C[6a])(C[6a]C[6a]F)	C[5,6a](B[5,5]C[5,6a]2N[5])(C[5,6a]B[5,5]C[6a])(C[6a]C[6a]F){1|N<2>,2|F<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]F)(F){1|B<4>,1|F<1>,1|N<3>,3|C<3>}	C[5,6a](B[5,5]C[5,6a]2N[5])(C[5,6a]B[5,5]C[6a])(C[6a]C[6a]F){1|N<2>,2|F<1>,7|C<3>}	118.5150	0.072	2	118.5150	0.005	2	118.5150	0.005	2	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Cl)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Cl){4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,5|C<3>}	118.6450	0.000	1	118.6450	0.000	1	118.6450	0.000	1	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[3,5]C[3,3x5]C[3,5]C)(C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3x5]C[3,3x5]C[5,6a]C[5])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[3,5]C[3,3x5]C[3,5]C)(C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[3x5]C[3,3x5]C[5,6a]C[5])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|H<1>,5|C<3>}	120.9420	0.000	1	120.9420	0.000	1	120.7465	0.076	2	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[3,5]C[3,3x5]C[3,5]H)(C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3x5]C[3,3x5]C[5,6a]C[5])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[3,5]C[3,3x5]C[3,5]H)(C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[3x5]C[3,3x5]C[5,6a]C[5])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	120.5510	0.000	1	120.5510	0.000	1	120.7465	0.076	2	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[3,5,5]C[5,6]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,5]C[3,5,5]C[5,6]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,4|C<3>}	120.7500	0.000	1	120.7500	0.000	1	120.2864	0.183	20	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	120.2190	0.000	1	120.2043	0.040	4	120.2864	0.183	20	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	C[5,6a](C[5,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	120.1025	0.252	2	120.2043	0.040	4	120.2864	0.183	20	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	120.3930	0.000	1	120.2043	0.040	4	120.2864	0.183	20	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	120.3380	0.693	3	120.3380	0.480	3	120.2864	0.183	20	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]N)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,5]C[3,5,5]C[5,6a]N)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	119.6950	0.000	1	119.6950	0.000	1	120.2864	0.183	20	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	120.8260	0.000	1	120.3315	0.489	2	120.2864	0.183	20	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	119.8370	0.000	1	120.3315	0.489	2	120.2864	0.183	20	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|P<3>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|P<3>,3|C<3>,3|H<1>}	120.6350	0.000	1	120.4318	0.138	5	120.2864	0.183	20	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	120.3810	0.409	4	120.4318	0.138	5	120.2864	0.183	20	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]N)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,5]C[3,5,5]C[5,6a]N)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	120.3420	0.000	1	120.3420	0.000	1	120.2864	0.183	20	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[3,5,5]C[5]C)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,5]C[3,5,5]C[5]C)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	120.2910	0.000	1	120.2910	0.000	1	120.2864	0.183	20	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[3,5,5]C[5]O)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,5]C[3,5,5]C[5]O)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	120.4920	0.000	1	120.4920	0.000	1	120.2864	0.183	20	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[3,5]C[3,5,5]C[3,5]P)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]P)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|P<3>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<3>,3|C<4>}	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|P<3>,3|C<3>}	119.5060	0.000	1	119.5060	0.000	1	120.2864	0.183	20	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[3,5]C[3,5,6]C[6a]C[3])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6]C[3,5,6]N[6]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[3,5]C[3,5,6]C[6a]C[3])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,6]C[3,5,6]N[6]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	120.1780	0.000	1	120.1780	0.000	1	120.1780	0.000	1	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	P[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[3,5]C[3,5,5]C[3,5]C[6a])(C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](P[5,5]C[3,5,5]C[5]Se)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]C[6a])(C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H){1|Se<1>,3|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,2|C<3>,2|C<4>}	C[5,6a](P[5,5]C[3,5,5]C[5]Se)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	118.8990	0.000	1	118.8990	0.000	1	118.8990	0.000	1	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	P[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[3,5]Nb[3,5,6,6]N[3]H)(C[5,6a]P[5,6,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](P[5,6,6]Nb[3,5,6,6]C[6,6a]2)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[3,5]Nb[3,5,6,6]N[3]H)(C[5,6a]P[5,6,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|Nb<6>,1|C<3>,1|N<3>,1|P<4>,2|H<1>}	C[5,6a](P[5,6,6]Nb[3,5,6,6]C[6,6a]2)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,3|N<3>,5|C<3>}	118.7210	0.000	1	118.7210	0.000	1	118.6320	0.016	2	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	P[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[3,5]Nb[3x3,5,6,6]N[3]H)(C[5,6a]P[5,6,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](P[5,6,6]Nb[3x3,5,6,6]C[6,6a]2)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[3,5]Nb[3x3,5,6,6]N[3]H)(C[5,6a]P[5,6,6]C[6a])(C[6a]C[6a]H){1|S<5>,2|H<1>,2|N<3>,2|O<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|Nb<8>,1|C<3>,1|N<3>,1|P<4>,2|H<1>}	C[5,6a](P[5,6,6]Nb[3x3,5,6,6]C[6,6a]2)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|S<5>,2|O<2>,3|H<1>,3|N<3>,5|C<3>}	118.5430	0.000	1	118.5430	0.000	1	118.6320	0.016	2	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[3x5]C[3,3x5]C[5,6a]C[5])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,3x5]C[3,5]C)(C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[3x5]C[3,3x5]C[5,6a]C[5])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[3,5]C[3,3x5]C[3,5]C)(C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	120.0620	0.000	1	120.0620	0.000	1	120.4685	0.330	2	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[3x5]C[3,3x5]C[5,6a]C[5])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,3x5]C[3,5]H)(C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[3x5]C[3,3x5]C[5,6a]C[5])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[3,5]C[3,3x5]C[3,5]H)(C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	120.8750	0.000	1	120.8750	0.000	1	120.4685	0.330	2	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[3x5]C[5,6a]2C[6x5])(C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(H)	C[5,6a](C[3x5]C[5,6a]2C[6x5])(C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[3x5]C[5,6a]2C[6x5])(C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[3x5]C[5,6a]2C[6x5])(C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,7|C<3>}	120.3181	0.214	22	120.3181	0.046	22	120.3181	0.046	22	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[4,5]C[4,4,5]C[4,5]P[6])(C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,4,5]C[4]H)(C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[4,5]C[4,4,5]C[4,5]P[6])(C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H){1|O<1>,1|P<4>,2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<4>,3|C<4>}	C[5,6a](C[4,5]C[4,4,5]C[4]H)(C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>,3|C<4>}	120.8045	0.540	2	120.8045	0.291	2	120.0992	1.199	4	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[4,5]C[4,4,5]C[4]H)(C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,4,5]C[4,5]P[6])(C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[4,5]C[4,4,5]C[4]H)(C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[4,5]C[4,4,5]C[4,5]P[6])(C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H){1|O<1>,1|P<4>,2|C<3>,2|O<2>,3|C<4>,3|H<1>}	119.3940	1.147	2	119.3940	1.315	2	120.0992	1.199	4	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,5,6]C[6,6a]H)(C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<2>,4|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6]C[5,5,6]C[6,6a]H)(C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,3|H<1>,4|C<3>}	120.6000	0.000	1	120.6000	0.000	1	120.6000	0.000	1	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[5,6,6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[5,6a]C[5,6a]C[5,5])(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[5,6,6a]H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[5,6,6a]H){1|H<1>,4|C<3>,4|C<4>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[5,6a]C[5,6a]C[5,5])(H){1|H<1>,1|O<2>,2|C<3>,5|C<4>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[5,6,6a]H){1|H<1>,4|C<3>,4|C<4>}	121.0180	0.000	1	121.0180	0.000	1	121.0180	0.000	1	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6,6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6,6a]C[6,6a]O[6])(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6,6a]H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6,6a]H){1|H<1>,1|O<2>,3|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6,6a]C[6,6a]O[6])(H){1|O<2>,2|C<3>,4|C<4>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6,6a]H){1|H<1>,1|O<2>,3|C<4>,4|C<3>}	120.4560	0.822	2	120.4560	0.675	2	120.4560	0.675	2	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(Br)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br){1|Br<1>,1|O<2>,3|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(Br){1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br){1|Br<1>,1|O<2>,3|C<4>,4|C<3>}	118.8245	0.028	2	118.8245	0.001	2	118.3680	0.185	5	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(Br)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br){1|H<1>,1|O<2>,3|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(Br){1|Br<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|Br<1>,3|C<4>,4|C<3>}	118.0637	0.151	3	118.0637	0.023	3	118.3680	0.185	5	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[3,5,5]C[5,6]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[3,5,5]C[5,6]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){4|C<3>,4|H<1>}	120.2070	0.000	1	120.2070	0.000	1	120.8813	0.230	21	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	120.3260	0.000	1	120.2900	0.020	4	120.8813	0.230	21	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	120.1750	0.000	1	120.2900	0.020	4	120.8813	0.230	21	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	120.3295	0.204	2	120.2900	0.020	4	120.8813	0.230	21	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	120.3920	0.000	1	120.8010	0.335	2	120.8813	0.230	21	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	121.2100	0.000	1	120.8010	0.335	2	120.8813	0.230	21	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Cl)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Cl){4|C<3>,4|H<1>}	121.3880	0.000	1	121.3880	0.000	1	120.8813	0.230	21	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){4|C<3>,4|H<1>}	120.8833	0.501	3	120.8833	0.251	3	120.8813	0.230	21	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|P<3>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|P<3>,3|C<3>,3|H<1>}	121.0450	0.000	1	120.9588	0.101	5	120.8813	0.230	21	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	120.9373	0.363	4	120.9588	0.101	5	120.8813	0.230	21	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]P)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|P<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]P)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|P<3>,3|C<3>,4|H<1>}	121.2960	0.000	1	121.2960	0.000	1	120.8813	0.230	21	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[3,5,5]C[5,6a]N)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]N)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	121.2720	0.000	1	121.2720	0.000	1	120.8813	0.230	21	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[3,5,5]C[5,6a]N)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]N)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	121.3430	0.000	1	121.3430	0.000	1	120.8813	0.230	21	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[3,5,5]C[5]C)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[3,5,5]C[5]C)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	121.5980	0.000	1	121.5980	0.000	1	120.8813	0.230	21	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[3,5,5]C[5]O)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[3,5,5]C[5]O)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	121.1970	0.000	1	121.1970	0.000	1	120.8813	0.230	21	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[3x5,6]C[5,6a]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[3x5,6]C[5,6a]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[3x5,6]C[5,6a]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[3x5,6]C[5,6a]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	120.5505	0.028	2	120.5505	0.001	2	120.1914	0.414	176	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|Br<1>,3|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br){1|H<1>,1|O<2>,3|C<4>,4|C<3>}	121.1067	0.183	3	121.1067	0.034	3	120.1914	0.414	176	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|N<3>,2|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<4>,4|C<3>}	119.4000	0.753	5	119.9276	0.557	11	120.1914	0.414	176	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|Br<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|Br<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|Br<1>,2|C<4>,2|H<1>,4|C<3>}	120.3673	0.388	6	119.9276	0.557	11	120.1914	0.414	176	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>,4|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	120.0443	0.378	3	119.8398	0.234	15	120.1914	0.414	176	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>,4|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H){2|C<3>,4|C<4>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>,4|C<4>}	119.7887	0.508	12	119.8398	0.234	15	120.1914	0.414	176	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	120.3643	0.216	11	120.0473	0.453	66	120.1914	0.414	176	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	119.9880	0.733	52	120.0473	0.453	66	120.1914	0.414	176	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){2|C<3>,4|C<4>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>,4|C<4>}	119.9133	0.384	3	120.0473	0.453	66	120.1914	0.414	176	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O){2|H<1>,3|C<4>,4|C<3>}	121.4510	0.000	1	121.4510	0.000	1	120.1914	0.414	176	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]N)(H){1|Br<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<4>,4|C<3>}	120.6286	0.309	5	120.6286	0.095	5	120.1914	0.414	176	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<4>,4|C<3>}	120.3242	0.233	6	120.3242	0.054	6	120.1914	0.414	176	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[3x5]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,7|C<3>}	120.2215	0.714	24	120.2215	0.509	24	120.1914	0.414	176	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C){2|C<4>,3|H<1>,4|C<3>}	121.6585	0.351	4	121.6585	0.123	4	120.1914	0.414	176	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	120.2976	0.278	10	120.2911	0.069	28	120.1914	0.414	176	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){4|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){4|H<1>,5|C<3>}	120.2876	0.261	18	120.2911	0.069	28	120.1914	0.414	176	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	120.5570	0.378	2	120.5570	0.143	2	120.1914	0.414	176	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[3x5]Si)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]Si)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[3x5]Si)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|Si<3>,1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|Si<3>,1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6a]C[3x5]Si)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|Si<3>,1|C<4>,3|H<1>,4|C<3>}	120.1744	0.344	5	120.1386	0.126	7	120.1914	0.414	176	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[3x5]Si)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]Si)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[3x5]Si)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|Si<4>,1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6a]C[3x5]Si)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|Si<4>,1|C<4>,3|H<1>,4|C<3>}	120.0490	0.511	2	120.1386	0.126	7	120.1914	0.414	176	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[4x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[4x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[4x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,6a]C[4x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	120.3085	0.052	2	120.3085	0.003	2	120.1914	0.414	176	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,5,6,6]C[5,6a]O)(C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6]C[5,5,6,6]C[5,3x6]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5,6,6]C[5,6a]O)(C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|O<2>}	C[5,6a](C[5,6,6]C[5,5,6,6]C[5,3x6]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|H<1>,2|C<4>,2|O<2>,5|C<3>}	120.1250	0.000	1	120.1250	0.000	1	120.1250	0.000	1	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,5,6]C[5,6a]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,5,6]C[6]Ru)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5,6]C[5,6a]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|Ru<11>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,5,6]C[6]Ru)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	120.4018	0.461	4	120.4018	0.212	4	120.5776	0.230	8	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,5,6]C[5]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,5,6]C[6,6a]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5,6]C[5]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6]C[5,5,6]C[6,6a]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	120.7620	0.000	1	120.7620	0.000	1	120.5776	0.230	8	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,5,6]C[5]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5,6]C[5]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	120.0770	0.000	1	120.0770	0.000	1	120.5776	0.230	8	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,5,6]C[5]O)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5,6]C[5]O)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<2>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	120.9390	0.000	1	120.9390	0.000	1	120.5776	0.230	8	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,5,6]C[6a]O[5])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5,6]C[6a]O[5])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	121.2360	0.000	1	121.2360	0.000	1	120.5776	0.230	8	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5])(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a,6a]H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a,6a]H){1|H<1>,3|C<4>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5])(H){1|H<1>,3|C<4>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a,6a]H){1|H<1>,3|C<4>,5|C<3>}	120.1010	0.245	2	120.1010	0.060	2	120.5205	0.256	4	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]C[5,5])(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a,6a]H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a,6a]H){1|H<1>,1|N<2>,3|C<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]C[5,5])(H){1|N<2>,3|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a,6a]H){1|H<1>,1|N<2>,3|C<4>,4|C<3>}	120.9400	0.066	2	120.9400	0.004	2	120.5205	0.256	4	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6,6]C[5,5,6,6]C[5,3x6]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]O)(H)	C[5,6a](C[5,5]C[5,5,6,6]C[5,6a]O)(C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6,6]C[5,5,6,6]C[5,3x6]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|H<1>,2|C<4>,2|O<2>,5|C<3>}	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]O)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,5]C[5,5,6,6]C[5,6a]O)(C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	120.8760	0.000	1	120.8760	0.000	1	120.8760	0.000	1	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6,6]C[6,6,6a]C[5,6]C[6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6,6]C[6,6,6a]C[5,6]C[6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){5|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H){4|H<1>,5|C<3>}	121.1070	0.000	1	121.1070	0.000	1	121.1070	0.000	1	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6]C[3,5,6]N[6]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H)	C[5,6a](C[3,5]C[3,5,6]C[6a]C[3])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[3,5,6]N[6]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[3,5]C[3,5,6]C[6a]C[3])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,4|C<3>,4|H<1>}	121.2620	0.000	1	121.2620	0.000	1	121.2620	0.000	1	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,5,6]C[6,6a]H)(C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,5,6]C[6,6a]H)(C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<2>,4|H<1>,5|C<3>}	120.9090	0.000	1	120.9090	0.000	1	120.9090	0.000	1	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,5,6]C[6,6a]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5,6]C[5]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,5,6]C[6,6a]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5,6]C[5]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	120.7900	0.000	1	120.7900	0.000	1	120.4551	0.180	8	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5,6]C[5]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5,6]C[5]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,5|H<1>}	121.1560	0.000	1	121.1560	0.000	1	120.4551	0.180	8	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5,6]C[5]O)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,5]C[5,5,6]C[5]O)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<2>,3|C<4>,4|H<1>}	120.1480	0.000	1	120.1480	0.000	1	120.4551	0.180	8	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5,6]C[6a]O[5])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,5]C[5,5,6]C[6a]O[5])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<4>,3|C<3>,4|H<1>}	119.7930	0.000	1	119.7930	0.000	1	120.4551	0.180	8	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,5,6]C[6]Ru)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5,6]C[5,6a]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,5,6]C[6]Ru)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|Ru<11>,1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,5]C[5,5,6]C[5,6a]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|Ru<11>,2|C<4>,2|H<1>,3|C<3>}	120.4385	0.204	4	120.4385	0.041	4	120.4551	0.180	8	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6]C[6,6,6a]C[5,6]C[6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H){4|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6,6]C[6,6,6a]C[5,6]C[6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){5|C<3>,6|H<1>}	120.9820	0.000	1	120.9820	0.000	1	120.9820	0.000	1	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6]C[5a,6]O[5,6]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6]O[5,6]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5a,6]O[5,6]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6]C[6,6]O[5,6]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,6|C<3>}	120.8570	0.000	1	120.5280	0.216	2	120.7799	0.455	10	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6]C[5a,6]O[5,6]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6]O[5,6]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5a,6]O[5,6]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6]C[6,6]O[5,6]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|O<2>,3|H<1>,6|C<3>}	120.1990	0.000	1	120.5280	0.216	2	120.7799	0.455	10	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6]C[5a,6]O[5,6]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]O[5,6]C[6a]C[6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5a,6]O[5,6]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6]O[5,6]C[6a]C[6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){3|H<1>,7|C<3>}	121.3040	0.233	2	121.3040	0.054	2	120.7799	0.455	10	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6]C[6,6]O[5,6]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5a,6]O[5,6]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6]O[5,6]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5a,6]O[5,6]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	120.6360	0.000	1	121.1600	0.549	2	120.7799	0.455	10	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6]C[6,6]O[5,6]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5a,6]O[5,6]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6]O[5,6]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|O<2>,3|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5a,6]O[5,6]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	121.6840	0.000	1	121.1600	0.549	2	120.7799	0.455	10	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6]C[6,6a]O[5,6]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]O[5,6]C[5a]O[6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]O[5,6]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6]O[5,6]C[5a]O[6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	121.4510	0.000	1	121.4510	0.000	1	120.7799	0.455	10	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6]O[5,6]C[5a]O[6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]O[5,6]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]O[5,6]C[5a]O[6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6]C[6,6a]O[5,6]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|H<1>,5|C<3>}	120.7010	0.000	1	120.7010	0.000	1	120.7799	0.455	10	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6]O[5,6]C[6a]C[6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5a,6]O[5,6]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]O[5,6]C[6a]C[6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){3|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5a,6]O[5,6]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	119.8315	0.228	2	119.8315	0.052	2	120.7799	0.455	10	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	P[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](P[5,5]C[3,5,5]C[5]Se)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]C[6a])(C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](P[5,5]C[3,5,5]C[5]Se)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]P[5,5])(C[6a]C[6a]H)(H){1|Se<1>,1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]C[6a])(C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H){1|Se<1>,3|H<1>,6|C<3>}	121.8020	0.000	1	121.8020	0.000	1	121.8020	0.000	1	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	P[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](P[5,6,6]Nb[3,5,6,6]C[6,6a]2)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]P[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]Nb[3,5,6,6]N[3]H)(C[5,6a]P[5,6,6]C[6a])(C[6a]C[6a]H)	C[5,6a](P[5,6,6]Nb[3,5,6,6]C[6,6a]2)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,3|N<3>,5|C<3>}	C[6a](C[5,6a]P[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|Nb<6>,1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[3,5]Nb[3,5,6,6]N[3]H)(C[5,6a]P[5,6,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	120.6530	0.000	1	120.6530	0.000	1	121.1400	0.474	2	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	4:3:3:	P[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](P[5,6,6]Nb[3x3,5,6,6]C[6,6a]2)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]P[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]Nb[3x3,5,6,6]N[3]H)(C[5,6a]P[5,6,6]C[6a])(C[6a]C[6a]H)	C[5,6a](P[5,6,6]Nb[3x3,5,6,6]C[6,6a]2)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|S<5>,2|O<2>,3|H<1>,3|N<3>,5|C<3>}	C[6a](C[5,6a]P[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|Nb<8>,1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[3,5]Nb[3x3,5,6,6]N[3]H)(C[5,6a]P[5,6,6]C[6a])(C[6a]C[6a]H){1|S<5>,2|H<1>,2|N<3>,2|O<2>,4|C<3>}	121.6270	0.000	1	121.6270	0.000	1	121.1400	0.474	2	120.2703	0.500	302	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:2:	3:2:3:	C[5,3x6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a](C[5,3x6]C[5,6,6]C[6,6]2)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,3x6]C[5,6a])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[5,3x6]C[6a])(O[5]C[5,6,6])(C[6a]C[6a]H)	C[5,6a](C[5,3x6]C[5,6,6]C[6,6]2)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){2|C<4>,3|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,3x6]C[5,6a])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[5,3x6]C[6a])(O[5]C[5,6,6])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	119.4300	0.528	2	119.4300	0.278	2	119.4300	0.278	2	119.0018	0.490	5	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:2:	3:2:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a](C[5,5,6]C[5,5,6]C[6]N[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]O)(OC)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(O[5]C[5,5,6])(C[6a]C[6a]H)	C[5,6a](C[5,5,6]C[5,5,6]C[6]N[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]O)(OC){1|C<3>,1|N<3>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(O[5]C[5,5,6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|O<2>}	119.1125	0.360	2	119.1125	0.130	2	119.1125	0.130	2	119.0018	0.490	5	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:2:	3:2:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a](C[5,6]C[5,6,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[5,6]C[6a])(O[5]C[5,6,6])(C[6a]C[6a]C)	C[5,6a](C[5,6]C[5,6,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[5,6]C[6a])(O[5]C[5,6,6])(C[6a]C[6a]C){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	117.9240	0.000	1	117.9240	0.000	1	117.9240	0.000	1	119.0018	0.490	5	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:2:	3:3:2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6,6a]O)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6,6a]C[6,6a]C[6])(OH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6,6a]H)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6,6a]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6,6a]C[6,6a]C[6])(OH){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6,6a]H)(O[5]C[5,5]){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	119.8495	0.347	2	119.8495	0.121	2	119.8495	0.121	2	118.9207	0.588	27	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:2:	3:3:2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(O[5]C[5,5]){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	119.3095	0.125	2	119.3095	0.016	2	118.4872	0.662	13	118.9207	0.588	27	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:2:	3:3:2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|H<1>,2|O<2>,4|C<3>}	118.0630	0.000	1	118.0630	0.000	1	118.4872	0.662	13	118.9207	0.588	27	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:2:	3:3:2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,1|C<4>,2|H<1>,3|O<2>}	118.2610	0.000	1	118.2610	0.000	1	118.4872	0.662	13	118.9207	0.588	27	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:2:	3:3:2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|O<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){2|C<3>,2|C<4>,3|O<2>}	118.1950	0.000	1	118.0571	0.482	7	118.4872	0.662	13	118.9207	0.588	27	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:2:	3:3:2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,3|O<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){3|O<2>,4|C<3>}	118.4180	0.000	2	118.0571	0.482	7	118.4872	0.662	13	118.9207	0.588	27	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:2:	3:3:2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|O<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){2|C<3>,2|C<4>,3|O<2>}	117.8423	0.900	4	118.0571	0.482	7	118.4872	0.662	13	118.9207	0.588	27	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:2:	3:3:2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|O<2>,3|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	119.4950	0.352	2	119.4950	0.124	2	118.4872	0.662	13	118.9207	0.588	27	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:2:	3:3:2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(OH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C)(O[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|C<4>,1|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(OH){1|C<4>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C)(O[5]C[5,6]){1|C<4>,2|O<2>,3|C<3>}	119.2470	0.489	5	119.2470	0.239	5	119.2357	0.169	12	118.9207	0.588	27	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:2:	3:3:2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C)(O[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C)(O[5]C[5,6]){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	119.2457	0.073	3	119.3796	0.103	5	119.2357	0.169	12	118.9207	0.588	27	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:2:	3:3:2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C)(O[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C)(O[5]C[5,6]){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	119.5805	0.515	2	119.3796	0.103	5	119.2357	0.169	12	118.9207	0.588	27	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:2:	3:3:2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	118.8475	0.291	2	118.8475	0.084	2	119.2357	0.169	12	118.9207	0.588	27	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:2:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(OC)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a,6a]O)(C[5]C[5,5,6]N)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O){1|N<2>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(OC){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a,6a]O)(C[5]C[5,5,6]N){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	120.3420	0.000	1	120.3420	0.000	1	120.3420	0.000	1	119.7179	0.863	21	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:2:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[3,5,5]C[6a])	C[5,6a](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]O){1|H<1>,3|C<3>,7|C<4>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(OC){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[3,5,5]C[6a]){1|O<2>,2|H<1>,3|C<3>,5|C<4>}	117.4210	0.000	1	117.4210	0.000	1	117.4210	0.000	1	119.7179	0.863	21	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:2:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]C)(C[6a]C[6a]H)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	120.7634	0.434	5	120.7634	0.188	5	120.7634	0.188	5	119.7179	0.863	21	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:2:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[6a]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[5,6a](C[5,5]C[5,5]C[6a]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]O){4|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC){1|C<4>,1|O<2>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|N<3>,2|O<2>,4|C<3>}	119.6175	0.453	2	119.6175	0.205	2	119.2544	0.174	9	119.7179	0.863	21	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:2:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]N[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[5,6a](C[5,5]C[5,5]N[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]O){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|N<3>,2|C<3>,2|C<4>,2|O<2>}	119.2135	0.369	6	119.2135	0.136	6	119.2544	0.174	9	119.7179	0.863	21	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:2:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]O){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OH){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	118.7740	0.000	1	118.7740	0.000	1	119.2544	0.174	9	119.7179	0.863	21	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:2:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(OH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]O)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(OH){2|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	118.9920	0.000	1	118.9920	0.000	1	119.8120	0.652	4	119.7179	0.863	21	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:2:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(OC)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(OC){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.8860	0.000	1	120.8860	0.000	1	119.8120	0.652	4	119.7179	0.863	21	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:2:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	119.9070	0.000	1	119.9070	0.000	1	119.8120	0.652	4	119.7179	0.863	21	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:2:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[6,6a]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(OC)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(OC){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	119.4630	0.000	1	119.4630	0.000	1	119.8120	0.652	4	119.7179	0.863	21	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:2:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC){2|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){2|O<2>,3|C<3>}	119.9570	0.000	1	119.9570	0.000	1	119.9570	0.000	1	119.7179	0.863	21	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:2:	3:3:4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]2)(OP)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|C<4>,4|C<3>,7|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]2)(OP){1|H<1>,3|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	119.3865	0.251	2	119.3865	0.063	2	119.7128	1.900	15	119.7128	1.900	15	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:2:	3:3:4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(OH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|Cl<1>,1|C<4>,3|C<3>,7|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(OH){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	120.3410	0.000	1	120.3410	0.000	1	119.7128	1.900	15	119.7128	1.900	15	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:2:	3:3:4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(C[5]C[5]HH)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|Br<1>,1|C<4>,3|C<3>,7|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	120.3845	0.226	2	120.3845	0.051	2	119.7128	1.900	15	119.7128	1.900	15	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:2:	3:3:4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|C<4>,3|C<3>,8|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	118.8090	0.000	1	118.8090	0.000	1	119.7128	1.900	15	119.7128	1.900	15	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:2:	3:3:4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OP)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|C<4>,3|C<3>,8|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OP){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	118.5333	0.425	6	118.5333	0.180	6	119.7128	1.900	15	119.7128	1.900	15	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:2:	3:3:4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,5]C[5,6a]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CH)	C[5,6a](C[5,5]C[5,6a]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CH){1|H<1>,2|C<3>,2|O<2>}	121.9333	0.246	3	121.9333	0.060	3	119.7128	1.900	15	119.7128	1.900	15	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:2:	3:4:2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:O[6a]-2:	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]O[6a]C[5])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(O[6a]C[6a])	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]O[6a]C[5])(C[6a]C[6a]O){1|C<3>,3|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC){1|O<1>,1|O<2>,4|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(O[6a]C[6a]){1|C<3>,1|O<1>,1|O<2>,4|C<4>}	117.4890	0.064	2	117.4890	0.004	2	117.4890	0.004	2	117.4890	0.004	2	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:2:	3:4:3:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[3x5]C[5,6a]C[5,5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[3x5]C[5,6a]C[5,5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){3|C<3>,3|C<4>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[3x5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	119.0835	0.053	2	119.0835	0.003	2	119.0835	0.003	2	119.1528	1.728	31	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:2:	3:4:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(OH)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]Br)	C[5,6a](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|Br<1>,3|C<3>,3|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]Br){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	119.5250	0.813	2	119.5250	0.661	2	118.2016	1.239	14	119.1528	1.728	31	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:2:	3:4:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(OH)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){3|C<3>,3|C<4>,6|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	119.2945	1.076	2	119.2945	1.157	2	118.2016	1.239	14	119.1528	1.728	31	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:2:	3:4:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(OP)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){3|C<3>,3|C<4>,6|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(OP){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	117.7184	0.821	10	117.7184	0.673	10	118.2016	1.239	14	119.1528	1.728	31	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:2:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[4x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[4x5]C[5]H)(C[6a]C[6a]O)	C[5,6a](C[5,5]C[5,6a]C[4x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[4x5]C[5]H)(C[6a]C[6a]O){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	120.3930	0.134	2	120.3930	0.018	2	120.3930	0.018	2	119.1528	1.728	31	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:2:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|N<3>,1|O<2>,3|C<3>,7|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.4720	0.000	1	120.4720	0.000	1	120.3535	0.028	2	119.1528	1.728	31	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:2:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(OC)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HN)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(OC){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HN)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	120.2350	0.000	1	120.2350	0.000	1	120.3535	0.028	2	119.1528	1.728	31	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:2:	3:4:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]O)	C[5,6a](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.4600	0.291	2	121.4600	0.085	2	119.9322	1.036	11	119.1528	1.728	31	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:2:	3:4:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(OC)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|C<3>,3|C<4>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(OC){1|C<3>,1|H<1>,4|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	118.8650	0.000	1	118.8650	0.000	1	119.9322	1.036	11	119.1528	1.728	31	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:2:	3:4:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(OC)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]O)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(OC){1|C<3>,5|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	119.8360	0.000	1	119.8360	0.000	1	119.9322	1.036	11	119.1528	1.728	31	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:2:	3:4:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(OH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HO)(C[6a]C[6a]C)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(OH){1|C<3>,5|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HO)(C[6a]C[6a]C){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	119.9650	0.000	1	119.9650	0.000	1	119.9322	1.036	11	119.1528	1.728	31	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:2:	3:4:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|C<3>,4|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	119.2360	0.000	1	119.2360	0.000	1	119.9322	1.036	11	119.1528	1.728	31	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:2:	3:4:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|N<3>,4|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	120.3323	0.407	3	119.6864	0.917	5	119.9322	1.036	11	119.1528	1.728	31	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:2:	3:4:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){2|C<4>,3|C<3>,7|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	118.7175	0.456	2	119.6864	0.917	5	119.9322	1.036	11	119.1528	1.728	31	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:2:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O){2|H<1>,3|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<4>,4|C<3>}	117.3880	0.000	1	117.3880	0.000	1	117.3880	0.000	1	120.2242	3.218	5	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:2:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[3x5,6]C[5,6a]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6]C[3x5,6]C[6]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)	C[5,6a](C[5,5]C[3x5,6]C[5,6a]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[3x5,6]C[6]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O){1|Br<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	120.7680	1.144	2	120.7680	1.309	2	120.7680	1.309	2	120.2242	3.218	5	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:2:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6]C[3x5,6]C[6]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,5]C[3x5,6]C[5,6a]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]O)	C[5,6a](C[5,6]C[3x5,6]C[6]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O){1|Br<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,5]C[3x5,6]C[5,6a]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	121.0985	1.183	2	121.0985	1.399	2	121.0985	1.399	2	120.2242	3.218	5	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:3:	3:3:2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(COO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]C){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(COO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){3|H<1>,4|C<3>}	119.2500	0.000	1	119.2500	0.000	1	119.2500	0.000	1	119.5532	0.054	4	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:3:	3:3:2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(COO)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]C){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(COO){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	119.6000	0.000	1	119.7075	0.023	2	119.7075	0.023	2	119.5532	0.054	4	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:3:	3:3:2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(COO)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]C){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(COO){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	119.8150	0.000	1	119.7075	0.023	2	119.7075	0.023	2	119.5532	0.054	4	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:3:	3:3:2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-3:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a](C[5,6]C[5,5,6]O[6]H)(C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a,6a]O)(COO)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6]C[6a])(O[5]C[5,5,6])	C[5,6a](C[5,6]C[5,5,6]O[6]H)(C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]C){1|O<2>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a,6a]O)(COO){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6]C[6a])(O[5]C[5,5,6]){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	119.5480	0.000	1	119.5480	0.000	1	119.5480	0.000	1	119.5532	0.054	4	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:3:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(COO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]C){1|C<4>,1|N<3>,1|S<4>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	119.1490	0.000	1	119.4255	0.153	2	119.4255	0.153	2	120.1129	0.470	16	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:3:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(COO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]C){1|S<4>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	119.7020	0.000	1	119.4255	0.153	2	119.4255	0.153	2	120.1129	0.470	16	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:3:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]N[5])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(N[5]C[5]2)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]N[5]){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(N[5]C[5]2){1|N<3>,3|C<3>,3|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	119.8370	0.000	1	119.8370	0.000	1	119.8370	0.000	1	120.1129	0.470	16	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:3:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[6]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(N[6]C[6]2)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6]){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(N[6]C[6]2){1|Cl<1>,1|N<3>,3|C<3>,3|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<3>,3|C<3>}	119.4940	0.000	1	119.3380	0.025	3	119.3380	0.025	3	120.1129	0.470	16	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:3:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[6]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(N[6]C[6]2)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6]){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(N[6]C[6]2){1|N<3>,3|C<3>,3|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	119.2600	0.117	2	119.3380	0.025	3	119.3380	0.025	3	120.1129	0.470	16	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:3:	3:3:3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(CN[6]C)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[5,6a](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]C){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(CN[6]C){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	121.0800	0.000	1	121.0800	0.000	1	121.0800	0.000	1	120.1129	0.470	16	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:3:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CCH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]C){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CCH){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,3|C<3>,3|H<1>}	120.7830	0.000	1	120.7830	0.000	1	120.7830	0.000	1	120.1129	0.470	16	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:3:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){2|H<1>,9|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	120.4711	0.535	7	120.4711	0.287	7	120.4711	0.287	7	120.1129	0.470	16	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:3:	3:3:3:	Ge[5,3x6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a](Ge[5,3x6]C[5,3x6]C[6,6]2)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6a]Ge[5,3x6]C[5,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]Ge[5,3x6]C[6a])(C[5,6]C[5,3x6]C[6])(C[6a]C[6a]H)	C[5,6a](Ge[5,3x6]C[5,3x6]C[6,6]2)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]2){3|C<4>,3|H<1>,6|C<3>}	C[6a](C[5,6a]Ge[5,3x6]C[5,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,3|C<4>,6|C<3>}	C[5,6a](C[5,6a]Ge[5,3x6]C[6a])(C[5,6]C[5,3x6]C[6])(C[6a]C[6a]H){1|H<1>,3|C<4>,5|C<3>}	119.9430	0.000	1	119.9430	0.000	1	119.9430	0.000	1	120.1129	0.470	16	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:3:	3:3:4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C[5])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5]N[5]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C[5]){1|N<2>,1|O<2>,3|C<3>,3|C<4>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5]N[5]O[5])(C[6a]C[6a]H){1|H<1>,2|C<3>,5|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,3|C<3>,3|H<1>}	119.6215	0.590	6	119.6215	0.348	6	119.6081	0.291	7	120.5027	1.096	15	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:3:	3:3:4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C[5])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5]N[5]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C[5]){1|C<4>,1|N<2>,1|O<2>,3|C<3>,8|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5]N[5]O[5])(C[6a]C[6a]H){1|H<1>,2|C<3>,5|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,3|C<3>,3|H<1>}	119.5280	0.000	1	119.5280	0.000	1	119.6081	0.291	7	120.5027	1.096	15	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:3:	3:3:4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:P-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,5]C[5,6a]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]P)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(PC[6a]2)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CH)	C[5,6a](C[5,5]C[5,6a]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]P){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(PC[6a]2){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CH){1|H<1>,1|O<2>,1|P<3>,2|C<3>}	121.2800	0.717	7	121.2800	0.514	7	121.2854	0.441	8	120.5027	1.096	15	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:3:	3:3:4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:P-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,5]C[5,6a]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]P)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(PC[6a]2)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]HH)	C[5,6a](C[5,5]C[5,6a]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]P){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(PC[6a]2){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]HH){1|H<1>,1|O<2>,1|P<3>,2|C<3>}	121.3230	0.000	1	121.3230	0.000	1	121.2854	0.441	8	120.5027	1.096	15	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:3:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(COO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|N<3>,3|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(COO){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	119.7690	0.000	1	119.7690	0.000	1	120.4180	0.333	3	120.4180	0.333	3	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:3:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(CCH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]CH)(C[6a]C[6a]H)	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|C<3>,1|C<4>,1|O<2>,1|S<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]CH)(C[6a]C[6a]H){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	120.6130	0.000	1	120.7425	0.034	2	120.4180	0.333	3	120.4180	0.333	3	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:3:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(CCH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]CH)(C[6a]C[6a]H)	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|C<3>,1|C<4>,1|O<2>,1|S<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(CCH){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]CH)(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	120.8720	0.000	1	120.7425	0.034	2	120.4180	0.333	3	120.4180	0.333	3	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:3:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]2){2|C<4>,2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[6a]C[6a]H){2|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]2){2|C<4>,2|H<1>,7|C<3>}	122.2043	0.136	3	122.2043	0.019	3	121.7769	2.856	7	121.7769	2.856	7	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:3:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[3x5]O)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]2){1|H<1>,1|O<1>,2|C<4>,7|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[6a]C[6a]H){2|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,6a]C[3x5]O)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]2){2|C<4>,2|H<1>,7|C<3>}	119.4490	0.141	2	119.4490	0.020	2	121.7769	2.856	7	121.7769	2.856	7	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:3:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[3x5]O)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,5]C[5,6a]C[3x5]O)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]2){2|C<4>,2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]2){1|H<1>,1|O<1>,2|C<4>,7|C<3>}	123.4635	0.066	2	123.4635	0.004	2	121.7769	2.856	7	121.7769	2.856	7	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:4:	3:2:2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:N[6a]-2:S[5]-2:	C[5,6a](C[5,5]C[3x5]N[5]N)(C[5,6a]N[6a]S[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[6a]C[6a])(S[5]C[3x5])	C[5,6a](C[5,5]C[3x5]N[5]N)(C[5,6a]N[6a]S[5])(C[6a]C[6a]C){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(CH3){1|N<2>,1|S<2>,2|C<4>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[6a]C[6a])(S[5]C[3x5]){2|C<3>,2|N<3>,3|C<4>}	117.2615	0.060	2	117.2615	0.004	2	117.2615	0.004	2	117.2615	0.004	2	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:4:	3:3:2:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(CCHH)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)(O[5]C[5,6])	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]C){1|C<3>,1|N<3>,2|O<2>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)(O[5]C[5,6]){1|C<3>,2|H<1>,4|C<4>}	121.8780	0.017	2	121.8780	0.000	2	121.8780	0.000	2	121.0460	0.945	8	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:4:	3:3:2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CCHH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CCHH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[5]C[5,6]){2|C<3>,2|H<1>,3|C<4>}	121.5620	0.000	1	121.5620	0.000	1	120.7687	0.953	6	121.0460	0.945	8	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:4:	3:3:2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CHHN)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]C){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CHHN){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[5]C[5,6]){1|C<3>,2|H<1>,4|C<4>}	120.4280	1.057	4	120.4280	1.116	4	120.7687	0.953	6	121.0460	0.945	8	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:4:	3:3:2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CCHH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]C){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CCHH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[5]C[5,6]){1|C<3>,3|C<4>,3|H<1>}	121.3380	0.000	1	121.3380	0.000	1	120.7687	0.953	6	121.0460	0.945	8	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:4:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(CH3){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	120.9870	0.000	1	120.9870	0.000	1	120.9870	0.000	1	120.7750	0.948	6	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:4:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C)	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CH3){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C){1|C<4>,2|H<1>,5|C<3>}	122.2810	0.000	1	122.2810	0.000	1	121.7325	0.602	2	120.7750	0.948	6	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:4:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CH3){1|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	121.1840	0.000	1	121.1840	0.000	1	121.7325	0.602	2	120.7750	0.948	6	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:4:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CCHN)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]C){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CCHN){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	120.0430	0.000	1	119.7540	0.167	2	120.0660	0.376	3	120.7750	0.948	6	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:4:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CCHN)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]C){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CCHN){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	119.4650	0.000	1	119.7540	0.167	2	120.0660	0.376	3	120.7750	0.948	6	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:4:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]C){2|C<4>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,2|C<4>,4|C<3>}	120.6900	0.000	1	120.6900	0.000	1	120.0660	0.376	3	120.7750	0.948	6	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:4:	3:3:4:	B[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](B[5,5]C[5,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(CC3)	C[5,6a](C[5,6a]B[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5,6a](B[5,5]C[5,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){2|C<4>,4|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(CC3){1|N<4>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]B[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH){3|C<3>,4|C<4>}	116.1720	0.000	1	116.1720	0.000	1	116.1720	0.000	1	119.2862	2.090	14	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:4:	3:3:4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(CC[5]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|C<4>,3|C<3>,8|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(CC[5]HH){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,2|C<4>,3|H<1>}	120.1340	0.330	2	120.1340	0.109	2	120.5280	0.265	4	119.2862	2.090	14	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:4:	3:3:4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(CC[5]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|C<4>,1|O<2>,3|C<3>,7|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(CC[5]HH){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,2|C<4>,3|H<1>}	120.9220	0.256	2	120.9220	0.066	2	120.5280	0.265	4	119.2862	2.090	14	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:4:	3:3:4:	Ga[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](Ga[5,5]C[5,5a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]Ga[5,5])(C[6a]C[6a]H)(CC3)	C[5,6a](C[5,6a]Ga[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5,6a](Ga[5,5]C[5,5a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){2|C<4>,4|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]Ga[5,5])(C[6a]C[6a]H)(CC3){1|N<4>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]Ga[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH){3|C<3>,4|C<4>}	118.6800	0.907	2	118.6800	0.822	2	118.3405	0.444	4	119.2862	2.090	14	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:4:	3:3:4:	Ga[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](Ga[5,5]C[5,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]Ga[5,5])(C[6a]C[6a]H)(CC3)	C[5,6a](C[5,6a]Ga[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5,6a](Ga[5,5]C[5,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){2|C<4>,4|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]Ga[5,5])(C[6a]C[6a]H)(CC3){1|N<4>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]Ga[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH){3|C<3>,4|C<4>}	118.0010	0.225	2	118.0010	0.051	2	118.3405	0.444	4	119.2862	2.090	14	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:4:	3:3:4:	In[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](In[5,5]C[5,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]In[5,5])(C[6a]C[6a]H)(CC3)	C[5,6a](C[5,6a]In[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5,6a](In[5,5]C[5,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){2|C<4>,4|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]In[5,5])(C[6a]C[6a]H)(CC3){1|N<4>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]In[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH){3|C<3>,4|C<4>}	118.8300	0.000	1	118.8300	0.000	1	118.8300	0.000	1	119.2862	2.090	14	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:4:	3:3:4:	P[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](P[5]C[6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](P[5]C[6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|C<4>,2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CH3){2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<4>,4|C<3>}	120.5990	0.000	1	120.5990	0.000	1	120.5990	0.000	1	119.2862	2.090	14	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:4:	3:3:4:	Si[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](Si[5,5]C[5,6a]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]Si[5,5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]Si[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5,6a](Si[5,5]C[5,6a]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]Si[5,5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]Si[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.3815	0.153	2	120.3815	0.024	2	120.3815	0.024	2	119.2862	2.090	14	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:4:	3:3:4:	Si[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](Si[5]C[6a]C[5]Rh)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(CCCH)	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](Si[5]C[6a]C[5]Rh)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(CCCH){1|Rh<3>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|Rh<3>,2|C<3>,2|C<4>,2|H<1>}	118.1690	0.000	1	118.1690	0.000	1	118.1690	0.000	1	119.2862	2.090	14	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:4:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(CCCH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(CCCH){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	121.2970	0.000	1	121.2970	0.000	1	121.2970	0.000	1	120.8941	0.785	8	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:4:	3:4:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|N<3>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CH3){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	121.2885	0.071	4	121.2885	0.005	4	121.2885	0.005	4	120.8941	0.785	8	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:4:	3:4:3:	Ge[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](Ge[5,6]C[6]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]Ge[5,6])(C[6a]C[6a]H)(CSi2H)	C[5,6a](C[5,6a]Ge[5,6]C[6a])(C[5]O[5]Si2)(C[6a]C[6a]H)	C[5,6a](Ge[5,6]C[6]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){2|Si<4>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]Ge[5,6])(C[6a]C[6a]H)(CSi2H){1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]Ge[5,6]C[6a])(C[5]O[5]Si2)(C[6a]C[6a]H){2|C<4>,3|C<3>}	118.8430	0.000	1	118.8430	0.000	1	118.8430	0.000	1	120.8941	0.785	8	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:4:	3:4:3:	P[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](P[3,5]C[3,5]C[3]Au)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]P[3,5])(C[6a]C[6a]H)(CCCH)	C[5,6a](C[5,6a]P[3,5]C[6a])(C[5]C[3,5]CC)(C[6a]C[6a]H)	C[5,6a](P[3,5]C[3,5]C[3]Au)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]P[3,5])(C[6a]C[6a]H)(CCCH){1|Au<2>,1|C<3>,4|C<4>}	C[5,6a](C[5,6a]P[3,5]C[6a])(C[5]C[3,5]CC)(C[6a]C[6a]H){1|Au<2>,1|C<3>,1|H<1>,3|C<4>}	121.4210	0.000	1	121.4210	0.000	1	121.4210	0.000	1	120.8941	0.785	8	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:4:	3:4:3:	Si[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](Si[5]Si[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(CCCH)	C[5,6a](C[5,6a]C[6a]Si[5])(C[5]Si[5,5]CC)(C[6a]C[6a]H)	C[5,6a](Si[5]Si[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[5]Si[5,5]CC)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	120.4380	0.000	1	120.4380	0.000	1	120.4380	0.000	1	120.8941	0.785	8	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:4:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6]C[5,5,6]C[6,6a]H)(C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]C)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,4|C<4>}	C[5,6a](C[5,6]C[5,5,6]C[6,6a]H)(C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<4>,4|C<3>}	120.6605	0.097	2	120.6605	0.009	2	121.3185	0.584	4	120.8386	0.488	30	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:4:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6]C[5,5,6]C[6,6a]H)(C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]C)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C){2|C<4>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(CH3){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6]C[5,5,6]C[6,6a]H)(C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<4>,4|C<3>}	121.9765	0.107	2	121.9765	0.011	2	121.3185	0.584	4	120.8386	0.488	30	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:4:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(CH3){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C){2|C<4>,3|H<1>,4|C<3>}	120.8710	0.315	6	120.8254	0.120	18	120.6069	0.330	22	120.8386	0.488	30	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:4:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(CH3){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<4>,4|C<3>}	120.8027	0.371	12	120.8254	0.120	18	120.6069	0.330	22	120.8386	0.488	30	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:4:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(CH3){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	119.6232	0.234	4	119.6232	0.055	4	120.6069	0.330	22	120.8386	0.488	30	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:4:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,5,6]C[6,6a]H)(C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C)	C[5,6a](C[5,6]C[5,5,6]C[6,6a]H)(C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CH3){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C){1|C<4>,4|H<1>,5|C<3>}	122.0850	0.140	2	122.0850	0.020	2	121.6335	0.280	4	120.8386	0.488	30	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:4:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,5,6]C[6,6a]H)(C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C)	C[5,6a](C[5,6]C[5,5,6]C[6,6a]H)(C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CH3){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C){2|C<4>,3|H<1>,5|C<3>}	121.1820	0.076	2	121.1820	0.006	2	121.6335	0.280	4	120.8386	0.488	30	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	5:3:3:	3:3:1:	3:3:3:	P[4,5]-5:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](P[4,5]C[6a]C[4]N[5]O[4])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]P[4,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](P[4,5]C[6a]C[4]N[5]O[4])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]P[4,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]P[4,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	119.0520	0.000	1	119.6160	0.239	3	119.6160	0.239	3	119.4851	0.438	13	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	5:3:3:	3:3:1:	3:3:3:	P[4,5]-5:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](P[4,5]C[6a]C[4]N[5]O[4])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]P[4,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](P[4,5]C[6a]C[4]N[5]O[4])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]P[4,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]P[4,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	119.8980	0.000	2	119.6160	0.239	3	119.6160	0.239	3	119.4851	0.438	13	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	5:3:3:	3:3:1:	3:3:3:	P[5,5,6]-5:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](P[5,5,6]C[6,6a]2C[5,5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]P[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]P[5,5,6]C[6a])(C[5]C[5,5]Cl)(C[6a]C[6a]H)	C[5,6a](P[5,5,6]C[6,6a]2C[5,5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,2|H<1>,7|C<3>}	C[6a](C[5,6a]P[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,5|C<3>}	C[5,6a](C[5,6a]P[5,5,6]C[6a])(C[5]C[5,5]Cl)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	119.6940	0.000	1	119.6940	0.000	1	119.6940	0.000	1	119.4851	0.438	13	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	5:3:3:	3:3:1:	3:3:3:	P[5,5]-5:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](P[5,5]C[5,5]C[6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]P[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](P[5,5]C[5,5]C[6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,8|C<3>}	C[6a](C[5,6a]C[5,6a]P[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,5|C<3>}	C[5,6a](C[5,6a]P[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,6|C<3>}	118.3420	0.750	2	118.3420	0.562	2	118.5473	0.407	3	119.4851	0.438	13	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	5:3:3:	3:3:1:	3:3:3:	P[5,5]-5:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](P[5,5]C[5,5]C[6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]P[5,5]C[6a])(C[5]C[5,5]Cl)(C[6a]C[6a]H)	C[5,6a](P[5,5]C[5,5]C[6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]P[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,5|C<3>}	C[5,6a](C[5,6a]P[5,5]C[6a])(C[5]C[5,5]Cl)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	118.9580	0.000	1	118.9580	0.000	1	118.5473	0.407	3	119.4851	0.438	13	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	5:3:3:	3:3:1:	3:3:3:	P[5,5]-5:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](P[5,5]C[5,6a]C[6a]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](P[5,5]C[5,6a]C[6a]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]P[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|O<2>,4|C<3>}	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){1|O<2>,2|H<1>,3|C<3>}	119.8537	0.289	6	119.8537	0.083	6	119.8537	0.083	6	119.4851	0.438	13	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	5:3:3:	3:3:1:	3:3:4:	As[5,5]-5:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](As[5,5]C[5,6a]O[5]2C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]As[5,5]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]As[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5,6a](As[5,5]C[5,6a]O[5]2C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]As[5,5]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]As[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.3960	0.495	12	121.3960	0.245	12	121.5338	0.219	21	119.8019	2.350	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	5:3:3:	3:3:1:	3:3:4:	As[5,5]-5:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](As[5,5]C[5,6a]O[5]2I)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]As[5,5]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]As[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5,6a](As[5,5]C[5,6a]O[5]2I)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]As[5,5]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|I<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]As[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC){1|I<1>,1|O<2>,2|C<3>,2|H<1>}	122.1110	0.000	1	122.1110	0.000	1	121.5338	0.219	21	119.8019	2.350	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	5:3:3:	3:3:1:	3:3:4:	As[5,5]-5:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](As[5,5]C[5,6a]O[5]2O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]As[5,5]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]As[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5,6a](As[5,5]C[5,6a]O[5]2O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]As[5,5]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,3|O<2>}	C[5,6a](C[5,6a]As[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC){2|C<3>,2|H<1>,2|O<2>}	121.6683	0.374	8	121.6683	0.140	8	121.5338	0.219	21	119.8019	2.350	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	5:3:3:	3:3:1:	3:3:4:	Ge[5,5]-5:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](Ge[5,5]C[5,6a]Ge[5,5]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Ge[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]Ge[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5,6a](Ge[5,5]C[5,6a]Ge[5,5]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<4>,5|C<3>}	C[6a](C[5,6a]C[5,6a]Ge[5,5])(C[6a]C[6a]H)(H){1|Ge<5>,2|C<3>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]Ge[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC){1|Ge<5>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	118.8323	0.853	4	118.8323	0.727	4	118.6602	0.510	6	119.8019	2.350	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	5:3:3:	3:3:1:	3:3:4:	Ge[5,5]-5:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](Ge[5,5]C[5,6a]O[5]2Fe)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Ge[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]Ge[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5,6a](Ge[5,5]C[5,6a]O[5]2Fe)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]Ge[5,5])(C[6a]C[6a]H)(H){1|Fe<8>,2|C<3>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]Ge[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC){1|Fe<8>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	118.3160	0.115	2	118.3160	0.013	2	118.6602	0.510	6	119.8019	2.350	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	5:3:3:	3:3:1:	3:3:4:	P[4,5]-5:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](P[4,5]C[6a]C[4]O[4]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]P[4,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5,6a](P[4,5]C[6a]C[4]O[4]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]P[4,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]P[4,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.2742	0.413	4	120.2742	0.171	4	120.2742	0.171	4	119.8019	2.350	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	5:3:3:	3:3:1:	3:3:4:	P[5,5]-5:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](P[5,5]C[5,6a]C[6a]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5,6a](P[5,5]C[5,6a]C[6a]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,3|C<4>,5|C<3>}	C[6a](C[5,6a]C[5,6a]P[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC){1|O<2>,2|H<1>,3|C<3>}	118.6473	0.759	18	118.6473	0.577	18	118.6887	0.500	25	119.8019	2.350	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	5:3:3:	3:3:1:	3:3:4:	P[5,5]-5:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](P[5,5]C[5,6a]O[5]2C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5,6a](P[5,5]C[5,6a]O[5]2C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]P[5,5])(C[6a]C[6a]H)(H){1|C<1>,1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<1>,1|O<2>,2|C<3>,2|H<1>}	119.1720	0.000	1	118.7951	0.347	7	118.6887	0.500	25	119.8019	2.350	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	5:3:3:	3:3:1:	3:3:4:	P[5,5]-5:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](P[5,5]C[5,6a]O[5]2C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5,6a](P[5,5]C[5,6a]O[5]2C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]P[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	118.7323	0.619	6	118.7951	0.347	7	118.6887	0.500	25	119.8019	2.350	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	5:3:3:	3:3:1:	3:3:4:	S[4,5]-5:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](S[4,5]C[4]N[4]O[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]S[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]S[4,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5,6a](S[4,5]C[4]N[4]O[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]S[4,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]S[4,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	121.1780	0.000	1	121.1780	0.000	1	121.1780	0.000	1	119.8019	2.350	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	5:3:3:	3:3:1:	3:3:4:	Si[5,5]-5:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](Si[5,5]C[5,6a]Si[5,5]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]Si[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5,6a](Si[5,5]C[5,6a]Si[5,5]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<4>,5|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5,5])(C[6a]C[6a]H)(H){1|Si<5>,1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]Si[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC){1|Si<5>,1|O<2>,2|C<3>,2|H<1>}	117.3240	0.051	2	117.3240	0.003	2	117.3240	0.003	2	119.8019	2.350	59	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	5:3:3:	3:3:1:	5:3:3:	P[5]-5:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	P[5]-5:C[5,6a]-3:C[6a]-3:	C[5,6a](P[5]C[6a]C[5]HfS)(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](P[5]C[6a]C[5]HfS)(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](P[5]C[6a]C[5]HfS)(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){2|H<1>,2|S<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|Hf<12>,1|C<4>,1|H<1>,1|P<5>,1|S<2>,2|C<3>}	C[5,6a](P[5]C[6a]C[5]HfS)(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){2|H<1>,2|S<2>,4|C<3>}	120.1435	0.132	4	120.1435	0.018	4	120.1435	0.018	4	120.1435	0.018	4	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	6:3:3:	3:3:1:	3:2:3:	C[5x3,6x5,20x6]-6:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,5x5,20x6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5x3,6x5,20x6]C[5,6a])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[5x3,6x5,20x6]C[6a])(O[5]B[5x3,6x5,20x6])(C[6a]C[6a]H)	C[5,6a](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,5x5,20x6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|F<1>,5|B<6>,5|H<1>}	C[6a](C[5,6a]C[5x3,6x5,20x6]C[5,6a])(C[6a]C[6a]F)(H){1|C<3>,1|C<6>,1|H<1>,1|O<2>,4|B<6>}	C[5,6a](C[5,6a]C[5x3,6x5,20x6]C[6a])(O[5]B[5x3,6x5,20x6])(C[6a]C[6a]H){1|C<3>,1|C<6>,2|H<1>,5|B<6>}	121.5230	0.000	1	121.5230	0.000	1	121.1305	0.308	2	121.1305	0.308	2	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	6:3:3:	3:3:1:	3:2:3:	C[5x3,6x5,20x6]-6:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,5x5,20x6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5x3,6x5,20x6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5x3,6x5,20x6]C[6a])(O[5]B[5x3,6x5,20x6])(C[6a]C[6a]H)	C[5,6a](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,5x5,20x6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,5|B<6>,5|H<1>}	C[6a](C[5,6a]C[5x3,6x5,20x6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<6>,1|H<1>,1|O<2>,4|B<6>}	C[5,6a](C[5,6a]C[5x3,6x5,20x6]C[6a])(O[5]B[5x3,6x5,20x6])(C[6a]C[6a]H){1|C<3>,1|C<6>,2|H<1>,5|B<6>}	120.7380	0.000	1	120.7380	0.000	1	121.1305	0.308	2	121.1305	0.308	2	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	6:3:3:	3:3:1:	3:3:3:	B[5x3,5x5,17x6]-6:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](B[5x3,5x5,17x6]B[4x3,4,5x5,21x6]C[3x3,4,4x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]B[5x3,5x5,17x6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]B[5x3,5x5,17x6]C[6a])(C[5]C[3x3,4,4x5,14x6]O)(C[6a]C[6a]H)	C[5,6a](B[5x3,5x5,17x6]B[4x3,4,5x5,21x6]C[3x3,4,4x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<5>,1|O<1>,4|B<6>,6|H<1>}	C[6a](C[5,6a]B[5x3,5x5,17x6]C[5,6a])(C[6a]C[6a]H)(H){1|C<5>,1|H<1>,2|C<3>,4|B<6>}	C[5,6a](C[5,6a]B[5x3,5x5,17x6]C[6a])(C[5]C[3x3,4,4x5,14x6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,5|B<6>}	117.3130	0.000	1	117.3130	0.000	1	117.3130	0.000	1	118.2532	3.560	13	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	6:3:3:	3:3:1:	3:3:3:	B[5x3,6x5,20x6]-6:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](B[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]B[5x3,6x5,20x6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]B[5x3,6x5,20x6]C[6a])(C[5]C[5x3,6x5,20x6]O)(C[6a]C[6a]H)	C[5,6a](B[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<6>,1|O<1>,4|B<6>,6|H<1>}	C[6a](C[5,6a]B[5x3,6x5,20x6]C[5,6a])(C[6a]C[6a]H)(H){1|C<6>,1|H<1>,2|C<3>,4|B<6>}	C[5,6a](C[5,6a]B[5x3,6x5,20x6]C[6a])(C[5]C[5x3,6x5,20x6]O)(C[6a]C[6a]H){1|C<3>,1|C<6>,2|H<1>,5|B<6>}	116.7730	1.755	5	116.7730	3.080	5	116.7730	3.080	5	118.2532	3.560	13	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	6:3:3:	3:3:1:	3:3:3:	C[5x3,6x5,20x6]-6:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5x3,6x5,20x6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5x3,6x5,20x6]C[6a])(N[5]C[5x3,6x5,20x6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,5|B<6>,6|H<1>}	C[6a](C[5,6a]C[5x3,6x5,20x6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<6>,1|H<1>,1|N<3>,4|B<6>}	C[5,6a](C[5,6a]C[5x3,6x5,20x6]C[6a])(N[5]C[5x3,6x5,20x6]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>,6|B<6>}	120.9880	0.000	1	120.9880	0.000	1	120.9880	0.000	1	118.2532	3.560	13	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	6:3:3:	3:3:1:	3:3:3:	P[3x5]-6:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](P[3x5]C[5,6a]2O[5]3)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[3x5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]P[3x5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](P[3x5]C[5,6a]2O[5]3)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]P[3x5])(C[6a]C[6a]H)(H){1|H<1>,3|O<2>,4|C<3>}	C[5,6a](C[5,6a]P[3x5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){2|H<1>,2|O<2>,3|C<3>}	119.1877	1.081	6	119.1877	1.168	6	119.1877	1.168	6	118.2532	3.560	13	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	6:3:3:	3:3:1:	3:3:4:	P[5,5]-6:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](P[5,5]C[5,6a]O[5]2HH)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5,6a](P[5,5]C[5,6a]O[5]2HH)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]P[5,5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC){1|O<2>,2|C<3>,4|H<1>}	118.6944	0.571	5	118.6944	0.327	5	118.6944	0.327	5	118.6944	0.327	5	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	6:3:3:	3:3:1:	3:4:3:	B[5x3,6x5,20x6]-6:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](B[5x3,6x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5x3,6x5,20x6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]B[5x3,6x5,20x6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]B[5x3,6x5,20x6]C[6a])(C[5]C[5x3,6x5,20x6]HH)(C[6a]C[6a]H)	C[5,6a](B[5x3,6x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5x3,6x5,20x6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,5|B<6>,8|H<1>}	C[6a](C[5,6a]B[5x3,6x5,20x6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|C<6>,3|B<6>}	C[5,6a](C[5,6a]B[5x3,6x5,20x6]C[6a])(C[5]C[5x3,6x5,20x6]HH)(C[6a]C[6a]H){1|C<3>,1|C<6>,2|H<1>,5|B<6>}	118.9550	0.000	1	118.9550	0.000	1	118.7690	0.069	2	119.7970	3.205	3	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	6:3:3:	3:3:1:	3:4:3:	B[5x3,6x5,20x6]-6:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](B[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]B[5x3,6x5,20x6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]B[5x3,6x5,20x6]C[6a])(C[5]C[5x3,6x5,20x6]HH)(C[6a]C[6a]H)	C[5,6a](B[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<6>,4|B<6>,8|H<1>}	C[6a](C[5,6a]B[5x3,6x5,20x6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|C<6>,1|H<1>,4|B<6>}	C[5,6a](C[5,6a]B[5x3,6x5,20x6]C[6a])(C[5]C[5x3,6x5,20x6]HH)(C[6a]C[6a]H){1|C<3>,1|C<6>,2|H<1>,5|B<6>}	118.5830	0.000	1	118.5830	0.000	1	118.7690	0.069	2	119.7970	3.205	3	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	6:3:3:	3:3:1:	3:4:3:	C[5x3,6x5,20x6]-6:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5x3,6x5,20x6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5x3,6x5,20x6]C[6a])(C[5]C[5x3,6x5,20x6]HH)(C[6a]C[6a]H)	C[5,6a](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,5|B<6>,8|H<1>}	C[6a](C[5,6a]C[5x3,6x5,20x6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|C<6>,1|H<1>,4|B<6>}	C[5,6a](C[5,6a]C[5x3,6x5,20x6]C[6a])(C[5]C[5x3,6x5,20x6]HH)(C[6a]C[6a]H){1|C<3>,2|H<1>,6|B<6>}	121.8530	0.000	1	121.8530	0.000	1	121.8530	0.000	1	119.7970	3.205	3	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6a]	6:3:3:	3:3:2:	3:2:3:	C[5x3,6x5,20x6]-6:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,5x5,20x6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5x3,6x5,20x6]C[5,6a])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[5x3,6x5,20x6]C[6a])(O[5]B[5x3,6x5,20x6])(C[6a]C[6a]H)	C[5,6a](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,5x5,20x6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|C<3>,5|B<6>,6|H<1>}	C[6a](C[5,6a]C[5x3,6x5,20x6]C[5,6a])(C[6a]C[6a]H)(OC){1|C<3>,1|C<6>,1|H<1>,1|O<2>,4|B<6>}	C[5,6a](C[5,6a]C[5x3,6x5,20x6]C[6a])(O[5]B[5x3,6x5,20x6])(C[6a]C[6a]H){1|C<3>,1|C<6>,1|H<1>,1|O<2>,5|B<6>}	119.7650	0.000	1	119.7650	0.000	1	119.7650	0.000	1	119.7650	0.000	1	120.9289	2.002	35839	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6,6a]	C[5a,6,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a,6a]-3:C[6,6,6a]-3:C[5a,6,6]-3:	C[5a,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:	C[5a,6,6a]-3:C[5a,6,6]-3:C[5,6,6]-4:	C[5a,6,6a](C[5a,6a,6a]C[5a,6,6a]C[3x6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5a,6,6]C[5a,6,6]C[5,6,6])	C[6,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]2)	C[5a,6,6](C[5a,6,6a]C[5a,6a,6a]C[6,6,6a])(C[5a,6,6]C[5a,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5a,6,6a](C[5a,6a,6a]C[5a,6,6a]C[3x6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5a,6,6]C[5a,6,6]C[5,6,6]){2|C<4>,7|C<3>}	C[6,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]2){2|C<4>,7|C<3>}	C[5a,6,6](C[5a,6,6a]C[5a,6a,6a]C[6,6,6a])(C[5a,6,6]C[5a,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	123.6900	0.000	1	123.6900	0.000	1	123.6900	0.000	1	123.6900	0.000	1	123.6900	0.000	1	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6,6a]	C[5a,6,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6,6a]-3:C[6,6,6a]-3:C[5a,6a,6a]-3:	C[5a,6,6a]-3:C[6,6a,6a]-3:C[6,6]-4:	C[5a,6,6a]-3:C[5,6,6a]-3:C[5a,6a,6a]-3:	C[5a,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6])(C[5a,6a,6a]C[5a,6a,6a]2)	C[6,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6]C[5,6]C[6,6]H)	C[5a,6,6a](C[5a,6,6a]C[5a,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6])(C[5a,6a,6a]C[5a,6a,6a]2){1|C<4>,1|H<1>,7|C<3>}	C[6,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6]C[5,6]C[6,6]H){10|C<3>}	C[5a,6,6a](C[5a,6,6a]C[5a,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6])(C[5a,6a,6a]C[5a,6a,6a]2){2|C<4>,6|C<3>}	120.3900	0.000	1	120.3900	0.000	1	120.3900	0.000	1	120.3900	0.000	1	121.2880	1.613	2	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6,6a]	C[5a,6,6a]	3:3:3:	3:4:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6,6a]-3:C[6,6,6a]-3:	C[5a,6,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5a,6a,6a]-3:C[5a,6,6a]-3:C[6,6,6a]-3:	C[5a,6,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[6,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[5,6,6a]C[5,6,6])	C[5a,6,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5a,6,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6]){1|Cl<1>,2|C<4>,6|C<3>}	C[6,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[5,6,6a]C[5,6,6]){1|Cl<1>,2|C<4>,8|C<3>}	C[5a,6,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6]){1|Cl<1>,2|C<4>,6|C<3>}	122.1860	0.000	1	122.1860	0.000	1	122.1860	0.000	1	122.1860	0.000	1	121.2880	1.613	2	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[6,6,6a]-3:C[5a,6,6]-3:	C[5a,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:	C[5a,6,6a]-3:C[5a,6,6a]-3:C[3x6a]-3:	C[5a,6,6a](C[5a,6a,6a]C[5a,6,6a]C[3x6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5a,6,6]C[5a,6,6]C[5,6,6])	C[6,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]2)	C[5a,6a,6a](C[5a,6,6a]C[5,6,6a]C[5a,6,6])(C[5a,6,6a]C[5a,6,6]C[6,6,6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5a,6,6a](C[5a,6a,6a]C[5a,6,6a]C[3x6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5a,6,6]C[5a,6,6]C[5,6,6]){2|C<4>,7|C<3>}	C[6,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]2){2|C<4>,7|C<3>}	C[5a,6a,6a](C[5a,6,6a]C[5,6,6a]C[5a,6,6])(C[5a,6,6a]C[5a,6,6]C[6,6,6a])(C[3x6a]C[5,6a,6a]C[3x6a]){3|C<4>,5|C<3>}	121.3920	0.000	1	121.3920	0.000	1	121.3920	0.000	1	121.3920	0.000	1	121.4340	0.741	3	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6,6a]	C[5a,6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6,6a]-3:C[6,6,6a]-3:C[5a,6a,6a]-3:	C[5a,6,6a]-3:C[6,6a,6a]-3:C[6,6]-4:	C[5a,6,6a]-3:C[5a,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6])(C[5a,6a,6a]C[5a,6a,6a]2)	C[6,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6]C[5,6]C[6,6]H)	C[5a,6a,6a](C[5a,6,6a]C[5a,6,6a]C[6,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)2	C[5a,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6])(C[5a,6a,6a]C[5a,6a,6a]2){1|C<4>,1|H<1>,7|C<3>}	C[6,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6]C[5,6]C[6,6]H){10|C<3>}	C[5a,6a,6a](C[5a,6,6a]C[5a,6,6a]C[6,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)2{1|C<4>,7|C<3>}	122.3150	0.000	1	122.3150	0.000	1	122.3150	0.000	1	122.3150	0.000	1	121.4340	0.741	3	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6,6a]	C[5a,6a,6a]	3:3:3:	3:4:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6,6a]-3:C[6,6,6a]-3:	C[5a,6,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5a,6a,6a]-3:C[5,6a,6a]-3:C[5a,6,6a]-3:	C[5a,6,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[6,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[5,6,6a]C[5,6,6])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6,6a]C[5a,6,6a]C[6,6,6a])	C[5a,6,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6]){1|Cl<1>,2|C<4>,6|C<3>}	C[6,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[5,6,6a]C[5,6,6]){1|Cl<1>,2|C<4>,8|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6,6a]C[5a,6,6a]C[6,6,6a]){2|C<4>,6|C<3>}	120.5950	0.000	1	120.5950	0.000	1	120.5950	0.000	1	120.5950	0.000	1	121.4340	0.741	3	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6,6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6,6,6a]-3:C[5a,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[6,6a]-3:C[3x6]-4:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]C[6])	C[6,6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6,6a]C[6a]O[6])(C[3x6]C[6,6]2H)	C[5a,6a](C[5a,6,6a]C[6,6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]C[6]){1|O<2>,2|H<1>,3|C<3>,4|C<4>}	C[6,6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6,6a]C[6a]O[6])(C[3x6]C[6,6]2H){2|H<1>,4|C<3>,4|C<4>}	C[5a,6a](C[5a,6,6a]C[6,6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	123.6980	0.461	2	123.8463	0.172	3	123.8463	0.172	3	123.8463	0.172	3	123.8463	0.172	3	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6,6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6,6,6a]-3:C[5a,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[6,6a]-3:C[3x6]-4:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]C[6])	C[6,6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6,6a]C[6a]O[6])(C[3x6]C[6,6]2H)	C[5a,6a](C[5a,6,6a]C[6,6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]C[6]){1|O<2>,2|H<1>,3|C<3>,4|C<4>}	C[6,6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6,6a]C[6a]O[6])(C[3x6]C[6,6]2H){3|C<3>,3|H<1>,4|C<4>}	C[5a,6a](C[5a,6,6a]C[6,6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	124.1430	0.000	1	123.8463	0.172	3	123.8463	0.172	3	123.8463	0.172	3	123.8463	0.172	3	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a,6a]	C[5a,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6,6a]-3:C[6,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6,6a]-3:C[6,6,6a]-3:C[5a,6a,6a]-3:	C[5a,6,6a]-3:C[5,6,6a]-3:C[5a,6a,6a]-3:	C[5a,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[6,6a,6a]C[5a,6a,6a]C[6,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])	C[6,6a,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6,6a](C[5a,6,6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[6,6a,6a]C[5a,6a,6a]C[6,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a]){1|C<4>,7|C<3>}	C[6,6a,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5a,6a,6a]C[5a,6a,6a]2){2|C<4>,8|C<3>}	C[5a,6,6a](C[5a,6,6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5a,6a,6a]C[5a,6a,6a]2){1|C<4>,8|C<3>}	121.5225	0.368	2	121.5225	0.136	2	121.5225	0.136	2	121.5225	0.136	2	121.5225	0.136	2	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6,6a]-3:C[6,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6,6a]-3:C[6,6,6a]-3:C[5a,6a,6a]-3:	C[5a,6,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5a,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[6,6a,6a]C[5a,6a,6a]C[6,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])	C[6,6a,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6,6a]C[5a,6,6a]C[6,6a,6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[6,6a,6a]C[5a,6a,6a]C[6,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a]){1|C<4>,7|C<3>}	C[6,6a,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5a,6a,6a]C[5a,6a,6a]2){2|C<4>,8|C<3>}	C[5a,6a,6a](C[5a,6,6a]C[5a,6,6a]C[6,6a,6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	119.9550	0.577	2	119.9550	0.333	2	119.9550	0.333	2	119.9550	0.333	2	119.9550	0.333	2	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:C[5a,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[6a,6a]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6a]C[6,6a])	C[6,6a,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[5a,6a](C[5a,6,6a]C[6,6a,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6a]C[6,6a]){8|C<3>}	C[6,6a,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){2|H<1>,7|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,8|C<3>}	125.9760	0.000	1	125.9760	0.000	1	125.9760	0.000	1	125.9760	0.000	1	125.9760	0.000	1	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6,6a]-3:C[5a,6a,6a]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[6a,6a]-3:C[6]-2:	C[5a,6,6a]-3:C[5a,6,6a]-3:C[5a,6a,6a]-3:	C[5a,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[6a,6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[6a,6a]C[5a,6a,6a]C[6,6a])(C[6]C[5a,6])	C[5a,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6])(C[5a,6,6a]C[5a,6a,6a]C[6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[6a,6a]C[6]){7|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[6a,6a]C[5a,6a,6a]C[6,6a])(C[6]C[5a,6]){1|C<2>,7|C<3>}	C[5a,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6])(C[5a,6,6a]C[5a,6a,6a]C[6,6a])(C[5a,6a,6a]C[5a,6a,6a]2){1|C<2>,7|C<3>}	117.2835	1.002	2	117.2835	1.004	2	117.2835	1.004	2	117.2835	1.004	2	118.5890	5.615	3	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6,6a]-3:C[5a,6a,6a]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[6a,6a]-3:C[6]-3:	C[5a,6,6a]-3:C[5,6,6a]-3:C[5a,6a,6a]-3:	C[5a,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[6a,6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[6a,6a]C[5a,6a,6a]C[6,6a])(C[6]C[5,6]O)	C[5a,6,6a](C[5a,6,6a]C[5a,6a,6a]C[6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[6a,6a]C[6]){1|C<4>,1|O<1>,6|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[6a,6a]C[5a,6a,6a]C[6,6a])(C[6]C[5,6]O){1|C<4>,8|C<3>}	C[5a,6,6a](C[5a,6,6a]C[5a,6a,6a]C[6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6])(C[5a,6a,6a]C[5a,6a,6a]2){1|C<4>,8|C<3>}	121.2000	0.000	1	121.2000	0.000	1	121.2000	0.000	1	121.2000	0.000	1	118.5890	5.615	3	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6]	3:3:3:	3:2:2:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[5a,6,6a]-3:N[6a]-2:S[6]-2:	C[5a,6,6a]-3:C[5a]-3:C[6]-4:	C[5a,6,6a](C[5a,6a]N[5a]N[6a])(C[5a,6]C[5a]C[6])(C[6,6a]N[6a]S[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(S[6]C[6])	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(C[6]C[6]HH)	C[5a,6,6a](C[5a,6a]N[5a]N[6a])(C[5a,6]C[5a]C[6])(C[6,6a]N[6a]S[6]){1|C<3>,1|C<4>,4|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(S[6]C[6]){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(C[6]C[6]HH){1|S<2>,2|N<2>,3|H<1>}	133.6360	0.000	1	133.6360	0.000	1	133.6360	0.000	1	133.6360	0.000	1	128.1036	2.649	53	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6]	3:3:3:	3:2:4:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[5a,6,6a]-3:N[6a]-2:C[6]-4:	C[5a,6,6a]-3:N[5a]-3:C[6]-4:	C[5a,6,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6]N[5a]C[6])(C[6,6a]N[6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(N[6a]C[5a,6a])(C[6]C[6]HH)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(N[5a]C[5a]C[6a])(C[6]C[6]HH)	C[5a,6,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6]N[5a]C[6])(C[6,6a]N[6a]C[6]){1|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(N[6a]C[5a,6a])(C[6]C[6]HH){2|C<3>,2|N<3>,3|C<4>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(N[5a]C[5a]C[6a])(C[6]C[6]HH){1|N<2>,3|C<4>,4|C<3>}	124.2060	0.000	1	124.2060	0.000	1	124.2060	0.000	1	124.2060	0.000	1	128.1036	2.649	53	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[6a]-3:S[6]-2:	C[5a,6,6a]-3:C[5a]-3:C[6]-4:	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]S[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(S[6]C[6])	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(C[6]C[6]CH)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]S[6]){1|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(C[6]C[6]CH){1|S<2>,2|H<1>,3|C<3>}	130.8210	0.000	1	130.8210	0.000	1	130.8210	0.000	1	130.8210	0.000	1	128.1036	2.649	53	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:2:	C[5a,6]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[6]-3:C[6a]-3:	C[5a,6,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6,6a](C[5a,6]C[6,6a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(N[5a]N[5a])	C[5a,6,6a](C[5a,6]C[6,6a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(N[5a]N[5a]){1|C<4>,1|H<1>,5|C<3>}	127.8952	0.664	5	127.8952	0.442	5	127.8952	0.442	5	127.8952	0.442	5	128.1036	2.649	53	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[6]-3:C[6a]-3:	C[5a,6,6a]-3:C[6,6a]-3:C[5a]-3:	C[5a,6,6a](C[5a,6]C[6,6a]C[5a])(C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[6a]O[5a])	C[5a,6,6a](C[5a,6]C[6,6a]C[5a])(C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6]){1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[6a]O[5a]){1|O<2>,7|C<3>}	129.5325	0.132	2	129.5325	0.017	2	129.5325	0.017	2	127.6875	5.823	6	128.1036	2.649	53	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[6]-3:C[6a]-3:	C[5a,6,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6,6a](C[5a,6]C[6,6a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(N[5a]N[5a]C)	C[5a,6,6a](C[5a,6]C[6,6a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(N[5a]N[5a]C){1|H<1>,5|C<3>}	127.3395	0.795	2	127.3395	0.633	2	127.3395	0.633	2	127.6875	5.823	6	128.1036	2.649	53	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[6,6a]-3:C[5a,6a]-3:	C[5a,6,6a]-3:C[6,6a]-3:C[6a]-3:	B[6,6a]-3:C[5a,6,6a]-3:C[5a]-3:	C[5a,6,6a](C[5a,6]B[6,6a]C[5a])(C[6,6a]C[6,6a]C[6a])(C[5a,6a]C[6a]N[5a])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6](B[6,6a]C[6,6a,6a]C[6a,6a])(C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)	C[5a,6,6a](C[5a,6]B[6,6a]C[5a])(C[6,6a]C[6,6a]C[6a])(C[5a,6a]C[6a]N[5a]){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H){1|B<3>,1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5a,6](B[6,6a]C[6,6a,6a]C[6a,6a])(C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H){1|C<4>,6|C<3>}	129.1000	0.000	1	129.1000	0.000	1	129.1000	0.000	1	127.6875	5.823	6	128.1036	2.649	53	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[5a,6,6a]-3:N[6a]-3:C[6]-3:	C[5a,6,6a]-3:N[5a]-3:C[6]-3:	C[5a,6,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a,6]N[5a]C[6])(C[6,6a]N[6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(N[6a]C[6a,6a]C)(C[6]C[6]C)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(N[5a]C[5a]C[6a])(C[6]C[6]H)	C[5a,6,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a,6]N[5a]C[6])(C[6,6a]N[6a]C[6]){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(N[6a]C[6a,6a]C)(C[6]C[6]C){1|N<3>,2|C<4>,4|C<3>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(N[5a]C[5a]C[6a])(C[6]C[6]H){1|N<3>,1|O<1>,2|C<4>,4|C<3>}	123.2810	0.000	1	123.2810	0.000	1	123.2810	0.000	1	127.6875	5.823	6	128.1036	2.649	53	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[5a,6]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6,6a]-3:C[5,6]-4:C[5a]-3:	C[5a,6,6a](C[5a,6]C[5,6]C[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(C[6]C[6]H)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,6a]2C[6])(C[5a]C[6a]N[5a])	C[5a,6,6a](C[5a,6]C[5,6]C[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6]){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(C[6]C[6]H){1|C<4>,1|H<1>,1|I<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,6a]2C[6])(C[5a]C[6a]N[5a]){1|C<4>,1|I<1>,9|C<3>}	126.8220	0.000	1	126.8220	0.000	1	126.8220	0.000	1	127.7193	0.645	8	128.1036	2.649	53	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[5a,6,6a]-3:C[5,6]-3:C[6a]-3:	C[5a,6,6a]-3:C[6]-4:C[5a]-3:	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[5,6]C[6a])(C[5a,6]C[5a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[5,6]C[5,6]C[5])(C[6a]C[6a]H)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[5,6]HH)(C[5a]N[5a]H)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[5,6]C[6a])(C[5a,6]C[5a]C[6]){1|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[5,6]C[5,6]C[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[5,6]HH)(C[5a]N[5a]H){1|H<1>,1|N<3>,4|C<3>}	126.8120	0.000	1	126.8120	0.000	1	126.8120	0.000	1	127.7193	0.645	8	128.1036	2.649	53	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[5a,6,6a]-3:C[6,6]-3:C[6a]-3:	C[5a,6,6a]-3:C[6]-4:C[5a]-3:	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6]C[6a])(C[5a,6]C[5a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6,6]HH)(C[5a]N[5a]H)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6]C[6a])(C[5a,6]C[5a]C[6]){1|C<4>,2|C<3>,6|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<3>,1|N<4>,2|C<3>,2|C<4>,3|H<1>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6,6]HH)(C[5a]N[5a]H){1|N<4>,2|H<1>,3|C<3>}	126.9840	0.000	1	127.7140	0.404	4	127.7140	0.404	4	127.7193	0.645	8	128.1036	2.649	53	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[5a,6,6a]-3:C[6,6]-3:C[6a]-3:	C[5a,6,6a]-3:C[6]-4:C[5a]-3:	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6]C[6a])(C[5a,6]C[5a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6,6]HH)(C[5a]N[5a]H)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6]C[6a])(C[5a,6]C[5a]C[6]){1|C<4>,2|C<3>,6|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6,6]HH)(C[5a]N[5a]H){1|N<3>,2|H<1>,3|C<3>}	127.9573	0.501	3	127.7140	0.404	4	127.7140	0.404	4	127.7193	0.645	8	128.1036	2.649	53	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[5a,6,6a]-3:C[6,6a]-3:C[6a]-3:	C[5a,6,6a]-3:C[5,6]-4:C[5a]-3:	C[5a,6,6a](C[5a,6a]C[6a,6a]O[5a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]H)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,6a]C[6,6a]C[5])(C[5a]C[6a]O[5a])	C[5a,6,6a](C[5a,6a]C[6a,6a]O[5a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a]){1|H<1>,7|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,6a]C[6,6a]C[5])(C[5a]C[6a]O[5a]){1|N<3>,1|O<1>,8|C<3>}	128.6320	0.078	2	128.6320	0.006	2	128.6320	0.006	2	127.7193	0.645	8	128.1036	2.649	53	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[5a,6,6a]-3:C[5a,5a]-3:C[6]-3:	C[5a,6,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a,6]C[5a,5a]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,5a]C[5a,5a]N[5a])(C[6]C[6]H)	C[5a,6,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a,6]C[5a,5a]C[6])(C[6,6a]C[6a]C[6]){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,5a]C[5a,5a]N[5a])(C[6]C[6]H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	124.0380	0.000	1	124.0380	0.000	1	124.0380	0.000	1	124.0380	0.000	1	128.1036	2.649	53	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6]	3:3:3:	3:3:4:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[5a,6,6a]-3:C[5a]-3:C[6]-4:	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(C[6]C[6]HH)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]C[6]){1|C<3>,3|C<4>,6|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(C[6]C[6]HH){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	128.7220	0.000	1	128.0122	0.583	4	128.6258	1.308	16	128.6258	1.308	16	128.1036	2.649	53	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6]	3:3:3:	3:3:4:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[5a,6,6a]-3:C[5a]-3:C[6]-4:	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(C[6]C[6]HH)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]C[6]){1|C<4>,1|S<4>,2|C<3>,6|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(C[6]C[6]HH){1|C<4>,1|H<1>,1|N<3>,1|S<4>,2|C<3>}	126.9540	0.000	1	128.0122	0.583	4	128.6258	1.308	16	128.6258	1.308	16	128.1036	2.649	53	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6]	3:3:3:	3:3:4:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[5a,6,6a]-3:C[5a]-3:C[6]-4:	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(C[6]C[6]HH)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]C[6]){1|C<4>,2|C<3>,7|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	128.1865	0.257	2	128.0122	0.583	4	128.6258	1.308	16	128.6258	1.308	16	128.1036	2.649	53	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6]	3:3:3:	3:3:4:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[5a,6,6a]-3:C[5a]-3:C[6]-4:	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(C[6]C[6]HH)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]C[6]){1|C<4>,1|S<4>,2|C<3>,6|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Br<1>,1|C<4>,1|N<3>,4|C<3>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(C[6]C[6]HH){1|C<4>,1|S<4>,6|C<3>}	127.5150	0.000	1	127.2525	0.138	2	128.6258	1.308	16	128.6258	1.308	16	128.1036	2.649	53	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6]	3:3:3:	3:3:4:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[5a,6,6a]-3:C[5a]-3:C[6]-4:	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(C[6]C[6]HH)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]C[6]){1|C<4>,1|S<4>,2|C<3>,6|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,5|C<3>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(C[6]C[6]HH){1|C<4>,1|S<4>,6|C<3>}	126.9900	0.000	1	127.2525	0.138	2	128.6258	1.308	16	128.6258	1.308	16	128.1036	2.649	53	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6]	3:3:3:	3:3:4:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[5a,6,6a]-3:C[5a]-3:C[6]-4:	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(C[6]N[6]CC)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]C[6]){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(C[6]N[6]CC){1|C<4>,2|C<3>,2|H<1>}	128.6880	0.000	1	128.6880	0.000	1	128.6258	1.308	16	128.6258	1.308	16	128.1036	2.649	53	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6]	3:3:3:	3:3:4:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[5a,6,6a]-3:C[5a]-3:C[6]-4:	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]N[6a]Cl)(C[6]C[6]HH)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(C[6]C[6]HH)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]C[6]){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,1|S<4>,5|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]N[6a]Cl)(C[6]C[6]HH){1|C<4>,1|N<3>,4|C<3>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(C[6]C[6]HH){1|C<4>,1|S<4>,6|C<3>}	127.6170	0.000	1	127.6170	0.000	1	128.6258	1.308	16	128.6258	1.308	16	128.1036	2.649	53	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6]	3:3:3:	3:3:4:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[5a,6,6a]-3:C[5a]-3:C[6]-4:	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]O[5a]H)(C[6]C[6]HH)	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]C[6]){1|C<3>,2|C<4>,6|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]O[5a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	129.3942	0.979	8	129.3942	0.959	8	128.6258	1.308	16	128.6258	1.308	16	128.1036	2.649	53	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6]	3:3:3:	3:3:4:	3:4:2:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[5a,6,6a]-3:C[6]-4:N[5a]-2:	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[5a,6]N[5a]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6]HH)(N[5a]O[5a])	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[5a,6]N[5a]C[6])(C[6,6a]C[6a]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6]HH)(N[5a]O[5a]){1|C<4>,2|C<3>,2|H<1>}	128.4640	0.000	1	128.4640	0.000	1	128.4640	0.000	1	128.4640	0.000	1	128.1036	2.649	53	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6]	3:3:3:	3:4:3:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[6]-4:C[6a]-3:	C[5a,6,6a]-3:C[6,6]-3:C[5a]-3:	C[5a,6,6a](C[5a,6]C[6,6]C[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6]C[6,6]CC)(C[6a]C[6a]H)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]2)(C[5a]N[5a]H)	C[5a,6,6a](C[5a,6]C[6,6]C[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6]){2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6]C[6,6]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]2)(C[5a]N[5a]H){2|C<3>,2|H<1>,4|C<4>}	127.1360	0.000	1	127.1360	0.000	1	127.1360	0.000	1	127.1360	0.000	1	128.1036	2.649	53	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6]	3:3:3:	3:4:3:	3:4:3:	C[5a,6]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[6]-4:C[6a]-3:	C[5a,6,6a]-3:C[5,6]-4:C[5a]-3:	C[5a,6,6a](C[5a,6]C[5,6]C[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,6]N[5]H)(C[5a]N[5a]H)	C[5a,6,6a](C[5a,6]C[5,6]C[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6]){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,6]N[5]H)(C[5a]N[5a]H){1|H<1>,3|C<4>,4|C<3>}	128.1800	0.000	1	128.1800	0.000	1	128.1800	0.000	1	127.9853	0.452	12	128.1036	2.649	53	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6]	3:3:3:	3:4:3:	3:4:3:	C[5a,6]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[6]-4:C[6a]-3:	C[5a,6,6a]-3:C[6,6]-4:C[5a]-3:	C[5a,6,6a](C[5a,6]C[6,6]C[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6]C[6,6]CC)(C[6a]C[6a]H)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(C[5a]N[5a]C)	C[5a,6,6a](C[5a,6]C[6,6]C[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6]){1|C<3>,4|H<1>,5|C<4>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6]C[6,6]CC)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(C[5a]N[5a]C){1|C<2>,2|H<1>,3|C<3>,3|C<4>}	129.1600	0.000	1	128.9543	0.042	3	128.9543	0.042	3	127.9853	0.452	12	128.1036	2.649	53	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6]	3:3:3:	3:4:3:	3:4:3:	C[5a,6]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[6]-4:C[6a]-3:	C[5a,6,6a]-3:C[6,6]-4:C[5a]-3:	C[5a,6,6a](C[5a,6]C[6,6]C[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6]C[6,6]CC)(C[6a]C[6a]H)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(C[5a]N[5a]C)	C[5a,6,6a](C[5a,6]C[6,6]C[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6]){1|C<3>,4|H<1>,5|C<4>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6]C[6,6]CC)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(C[5a]N[5a]C){3|C<3>,3|C<4>,3|H<1>}	128.8515	0.142	2	128.9543	0.042	3	128.9543	0.042	3	127.9853	0.452	12	128.1036	2.649	53	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6]	3:3:3:	3:4:3:	3:4:3:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[5a,6,6a]-3:C[6,6]-4:C[6a]-3:	C[5a,6,6a]-3:C[6]-4:C[5a]-3:	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6]C[6a])(C[5a,6]C[5a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6,6]HH)(C[5a]N[5a]H)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6]C[6a])(C[5a,6]C[5a]C[6]){1|C<3>,2|C<4>,7|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H){2|C<4>,2|N<3>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6,6]HH)(C[5a]N[5a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	127.6870	0.000	1	127.4674	0.045	5	127.5976	0.119	8	127.9853	0.452	12	128.1036	2.649	53	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6]	3:3:3:	3:4:3:	3:4:3:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[5a,6,6a]-3:C[6,6]-4:C[6a]-3:	C[5a,6,6a]-3:C[6]-4:C[5a]-3:	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6]C[6a])(C[5a,6]C[5a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6,6]HH)(C[5a]N[5a]H)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6]C[6a])(C[5a,6]C[5a]C[6]){1|C<4>,2|C<3>,7|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6,6]HH)(C[5a]N[5a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	127.4890	0.159	3	127.4674	0.045	5	127.5976	0.119	8	127.9853	0.452	12	128.1036	2.649	53	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6]	3:3:3:	3:4:3:	3:4:3:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[5a,6,6a]-3:C[6,6]-4:C[6a]-3:	C[5a,6,6a]-3:C[6]-4:C[5a]-3:	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6]C[6a])(C[5a,6]C[5a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6,6]HH)(C[5a]N[5a]H)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6]C[6a])(C[5a,6]C[5a]C[6]){1|C<4>,3|C<3>,6|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6,6]HH)(C[5a]N[5a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	127.1830	0.000	1	127.4674	0.045	5	127.5976	0.119	8	127.9853	0.452	12	128.1036	2.649	53	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6]	3:3:3:	3:4:3:	3:4:3:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[5a,6,6a]-3:C[6,6]-4:C[6a]-3:	C[5a,6,6a]-3:C[6]-4:C[5a]-3:	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6]C[6a])(C[5a,6]C[5a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]O)(C[6a]C[6a]H)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6,6]HH)(C[5a]N[5a]H)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6]C[6a])(C[5a,6]C[5a]C[6]){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6,6]HH)(C[5a]N[5a]H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	127.5755	0.285	2	127.5755	0.081	2	127.5976	0.119	8	127.9853	0.452	12	128.1036	2.649	53	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6]	3:3:3:	3:4:3:	3:4:3:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[5a,6,6a]-3:C[6,6]-4:C[6a]-3:	C[5a,6,6a]-3:C[6]-4:C[5a]-3:	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6]C[6a])(C[5a,6]C[5a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6,6]HH)(C[5a]N[5a]H)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6]C[6a])(C[5a,6]C[5a]C[6]){1|C<4>,2|C<3>,7|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6,6]HH)(C[5a]N[5a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	128.2930	0.000	1	128.2930	0.000	1	127.5976	0.119	8	127.9853	0.452	12	128.1036	2.649	53	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6,6a]-3:C[5a,6a,6a]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[6a,6a]-3:C[6]-2:	C[5a,6,6a]-3:C[5a,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[6a,6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[6a,6a]C[5a,6a,6a]C[6,6a])(C[6]C[5a,6])	C[5a,6a,6a](C[5a,6,6a]C[5a,6,6a]C[6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)2	C[5a,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[6a,6a]C[6]){7|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[6a,6a]C[5a,6a,6a]C[6,6a])(C[6]C[5a,6]){1|C<2>,7|C<3>}	C[5a,6a,6a](C[5a,6,6a]C[5a,6,6a]C[6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)2{1|C<2>,7|C<3>}	119.2380	0.000	1	119.2380	0.000	1	119.2380	0.000	1	120.3045	2.275	2	120.9607	2.429	3	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6,6a]-3:C[5a,6a,6a]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[6a,6a]-3:C[6]-2:	C[5a,6a,6a]-3:C[5a,6,6a]-3:C[5a,6a,6a]-3:	C[5a,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[6a,6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[6a,6a]C[5a,6a,6a]C[6,6a])(C[6]C[5a,6])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6,6a]C[6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[6a,6a]C[6]){7|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[6a,6a]C[5a,6a,6a]C[6,6a])(C[6]C[5a,6]){1|C<2>,7|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6,6a]C[6,6a])(C[5a,6a,6a]C[5a,6a,6a]2){1|C<2>,7|C<3>}	121.3710	0.000	1	121.3710	0.000	1	121.3710	0.000	1	120.3045	2.275	2	120.9607	2.429	3	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6,6a]-3:C[5a,6a,6a]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[6a,6a]-3:C[6]-3:	C[5a,6,6a]-3:C[5a,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[6a,6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[6a,6a]C[5a,6a,6a]C[6,6a])(C[6]C[5,6]O)	C[5a,6a,6a](C[5a,6,6a]C[5a,6,6a]C[6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)2	C[5a,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[6a,6a]C[6]){1|C<4>,1|O<1>,6|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[6a,6a]C[5a,6a,6a]C[6,6a])(C[6]C[5,6]O){1|C<4>,8|C<3>}	C[5a,6a,6a](C[5a,6,6a]C[5a,6,6a]C[6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)2{8|C<3>}	122.2730	0.000	1	122.2730	0.000	1	122.2730	0.000	1	122.2730	0.000	1	120.9607	2.429	3	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:2:2:	3:3:2:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[5a,6,6a]-3:N[6a]-2:S[6]-2:	C[5a,6,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6,6a](C[5a,6a]N[5a]N[6a])(C[5a,6]C[5a]C[6])(C[6,6a]N[6a]S[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(S[6]C[6])	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6,6a](C[5a,6a]N[5a]N[6a])(C[5a,6]C[5a]C[6])(C[6,6a]N[6a]S[6]){1|C<3>,1|C<4>,4|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(S[6]C[6]){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|N<3>}	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(N[5a]C[5a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|S<2>}	117.0750	0.000	1	117.0750	0.000	1	117.0750	0.000	1	117.0750	0.000	1	124.1489	2.945	136	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:2:4:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[5a,6,6a]-3:N[6a]-2:C[6]-4:	C[5a,6,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6]N[5a]C[6])(C[6,6a]N[6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(N[6a]C[5a,6a])(C[6]C[6]HH)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[5a])(C[5a]C[6a]N[5a])	C[5a,6,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6]N[5a]C[6])(C[6,6a]N[6a]C[6]){1|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(N[6a]C[5a,6a])(C[6]C[6]HH){2|C<3>,2|N<3>,3|C<4>}	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[5a])(C[5a]C[6a]N[5a]){1|N<3>,2|N<2>,3|C<3>,3|C<4>}	125.4260	0.000	1	125.4260	0.000	1	125.4260	0.000	1	125.4260	0.000	1	124.1489	2.945	136	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:2:	3:2:2:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:N[5,6]-3:N[6a]-2:	C[5a,6,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6,6a](C[5a,6a]N[5a]N[6a])(C[6,6a]N[5,6]N[6a])(N[5a,6]C[5a]B[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(N[5,6]C[5,6]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(N[5a]C[5a])(N[6a]C[6a])	C[5a,6,6a](C[5a,6a]N[5a]N[6a])(C[6,6a]N[5,6]N[6a])(N[5a,6]C[5a]B[6]){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(N[5,6]C[5,6]C[5])(N[6a]C[6a]){1|B<4>,1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(N[5a]C[5a])(N[6a]C[6a]){1|B<4>,1|N<2>,1|N<3>,2|H<1>}	119.3390	0.000	1	119.3390	0.000	1	119.3390	0.000	1	119.3390	0.000	1	124.1489	2.945	136	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[6a]-3:S[6]-2:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]S[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(S[6]C[6])	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]S[6]){1|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	120.3370	0.000	1	120.3370	0.000	1	120.3370	0.000	1	123.4453	5.442	4	124.1489	2.945	136	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[6,6a]-3:N[6a]-2:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(N[5a,6]C[5a,6a]S[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(N[6a]C[6a])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(N[5a,6]C[5a,6a]S[6]){1|H<1>,2|O<1>,5|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(N[6a]C[6a]){1|N<2>,1|S<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,1|S<4>,2|H<1>,3|C<3>}	123.0340	0.000	1	123.0340	0.000	1	123.0340	0.000	1	123.4453	5.442	4	124.1489	2.945	136	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[6a]-3:O[6]-2:	C[5a,6,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6a]O[6])(N[5a,6]N[5a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(O[6]C[6])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6a]O[6])(N[5a,6]N[5a]C[6]){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	125.5930	0.000	1	125.5930	0.000	1	125.5930	0.000	1	123.4453	5.442	4	124.1489	2.945	136	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[6a]-3:O[6]-2:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[6,6a]C[6a]O[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]C)(O[6]C[6])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[6,6a]C[6a]O[6]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]C)(O[6]C[6]){3|H<1>,4|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	124.8170	0.000	1	124.8170	0.000	1	124.8170	0.000	1	123.4453	5.442	4	124.1489	2.945	136	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5,5a]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(O[5a]B[5,5a])(C[6a]C[6a]H)	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5,5a]C[6])(C[6,6a]C[6a]C[6]){1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]H){1|B<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(O[5a]B[5,5a])(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	124.5800	0.000	1	124.8708	0.221	4	124.8397	0.099	11	124.8397	0.099	11	124.1489	2.945	136	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5,5a]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(O[5a]B[5,5a])(C[6a]C[6a]H)	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5,5a]C[6])(C[6,6a]C[6a]C[6]){4|C<3>,4|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]H){1|B<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(O[5a]B[5,5a])(C[6a]C[6a]H){1|H<1>,5|C<3>}	124.9677	0.525	3	124.8708	0.221	4	124.8397	0.099	11	124.8397	0.099	11	124.1489	2.945	136	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(O[5a]B[5a,6])(C[6a]C[6a]H)	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]C[6])(C[6,6a]C[6a]C[6]){4|C<3>,4|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]H){1|B<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(O[5a]B[5a,6])(C[6a]C[6a]H){1|H<1>,5|C<3>}	124.8220	0.230	7	124.8220	0.053	7	124.8397	0.099	11	124.8397	0.099	11	124.1489	2.945	136	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[6]-3:C[6a]-3:	C[5a,6,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6,6a](C[5a,6]C[6,6a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[5a,6,6a](C[5a,6]C[6,6a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	124.6210	0.334	2	124.6210	0.111	2	124.6210	0.111	2	124.8842	2.591	40	124.1489	2.945	136	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[6]-3:C[6a]-3:	C[5a,6,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6,6a](C[5a,6]C[6,6a]C[5a])(C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6,6a](C[5a,6]C[6,6a]C[5a])(C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6]){1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,4|C<3>}	121.6475	0.223	2	121.6475	0.050	2	121.6475	0.050	2	124.8842	2.591	40	124.1489	2.945	136	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[5a,6,6a]-3:C[6,6a]-3:C[6a]-3:	C[5a,6,6a]-3:C[6a,6a]-3:O[5a]-2:	C[5a,6,6a](C[5a,6a]C[6a,6a]O[5a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]C[5a])	C[5a,6,6a](C[5a,6a]C[6a,6a]O[5a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a]){1|H<1>,7|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]C[5a]){1|C<4>,1|H<1>,5|C<3>}	122.6290	0.038	2	122.6290	0.001	2	122.6290	0.001	2	124.8842	2.591	40	124.1489	2.945	136	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6])(N[5a,6]C[5a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6])(N[5a,6]C[5a]C[6]){1|O<2>,2|C<3>,5|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	126.5430	0.000	1	126.5430	0.000	1	126.5430	0.000	1	124.8842	2.591	40	124.1489	2.945	136	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]Br)(C[6]C[6]H)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]Br)(O[5a]B[5a])	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6]){2|Br<1>,2|H<1>,4|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]Br)(C[6]C[6]H){1|B<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]Br)(O[5a]B[5a]){1|H<1>,5|C<3>}	125.6200	0.000	1	125.6200	0.000	1	125.1827	1.998	33	124.8842	2.591	40	124.1489	2.945	136	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]Cl)(C[6]C[6]H)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(O[5a]B[5a])	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6]){1|Cl<1>,3|H<1>,4|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]Cl)(C[6]C[6]H){1|B<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(O[5a]B[5a]){1|H<1>,5|C<3>}	124.6620	0.000	1	124.6620	0.000	1	125.1827	1.998	33	124.8842	2.591	40	124.1489	2.945	136	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]C)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(O[5a]B[5a])	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6]){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]C){1|B<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(O[5a]B[5a]){1|H<1>,5|C<3>}	124.5795	0.452	2	124.5795	0.204	2	125.1827	1.998	33	124.8842	2.591	40	124.1489	2.945	136	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(O[5a]B[5a])	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6]){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]H){1|B<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(O[5a]B[5a]){1|H<1>,5|C<3>}	123.9600	0.000	1	125.2208	2.400	27	125.1827	1.998	33	124.8842	2.591	40	124.1489	2.945	136	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(O[5a]B[5a])	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6]){1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]H){1|B<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(O[5a]B[5a]){1|H<1>,1|O<2>,4|C<3>}	124.8715	0.142	2	125.2208	2.400	27	125.1827	1.998	33	124.8842	2.591	40	124.1489	2.945	136	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(O[5a]B[5a])	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6]){4|C<3>,4|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]H){1|B<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(O[5a]B[5a]){1|H<1>,5|C<3>}	125.3025	1.620	24	125.2208	2.400	27	125.1827	1.998	33	124.8842	2.591	40	124.1489	2.945	136	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]I)(C[6]C[6]H)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]I)(O[5a]B[5a])	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6]){2|H<1>,2|I<1>,4|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]I)(C[6]C[6]H){1|B<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]I)(O[5a]B[5a]){1|H<1>,5|C<3>}	125.3130	0.298	2	125.3130	0.089	2	125.1827	1.998	33	124.8842	2.591	40	124.1489	2.945	136	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[6]-3:C[6a]-3:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6,6a](C[5a,6]C[6,6a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6,6a](C[5a,6]C[6,6a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|H<1>,3|C<3>}	124.9124	0.575	5	124.9124	0.331	5	124.9124	0.331	5	124.1253	2.039	37	124.1489	2.945	136	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6,6a](C[5a,6]C[5,6]C[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(C[6]C[6]H)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6,6a](C[5a,6]C[5,6]C[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6]){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(C[6]C[6]H){1|C<4>,1|H<1>,1|I<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	123.7600	0.000	1	123.7600	0.000	1	123.7600	0.000	1	124.1253	2.039	37	124.1489	2.945	136	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[6,6a]-3:C[5a,6a]-3:	C[5a,6,6a]-3:C[6,6a]-3:C[6a]-3:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6,6a](C[5a,6]B[6,6a]C[5a])(C[6,6a]C[6,6a]C[6a])(C[5a,6a]C[6a]N[5a])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6,6a](C[5a,6]B[6,6a]C[5a])(C[6,6a]C[6,6a]C[6a])(C[5a,6a]C[6a]N[5a]){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H){1|B<3>,1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|B<3>,2|C<3>,2|H<1>}	121.6790	0.000	1	121.6790	0.000	1	121.6790	0.000	1	124.1253	2.039	37	124.1489	2.945	136	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[5a,6,6a]-3:N[6a]-3:C[6]-3:	C[5a,6,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a,6]N[5a]C[6])(C[6,6a]N[6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(N[6a]C[6a,6a]C)(C[6]C[6]C)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a]O)	C[5a,6,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a,6]N[5a]C[6])(C[6,6a]N[6a]C[6]){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(N[6a]C[6a,6a]C)(C[6]C[6]C){1|N<3>,2|C<4>,4|C<3>}	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a]O){1|H<1>,1|N<3>,5|C<3>}	126.0940	0.000	1	126.0940	0.000	1	126.0940	0.000	1	124.1253	2.039	37	124.1489	2.945	136	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[5a,6,6a]-3:C[5,6]-3:C[6a]-3:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[5,6]C[6a])(C[5a,6]C[5a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[5,6]C[5,6]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[5,6]C[6a])(C[5a,6]C[5a]C[6]){1|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[5,6]C[5,6]C[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	123.1730	0.000	1	123.1730	0.000	1	123.1730	0.000	1	124.1253	2.039	37	124.1489	2.945	136	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[5a,6,6a]-3:C[6,6]-3:C[6a]-3:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6]C[6a])(C[5a,6]C[5a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6]C[6a])(C[5a,6]C[5a]C[6]){1|C<4>,2|C<3>,6|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<3>,1|N<4>,2|C<3>,2|C<4>,3|H<1>}	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	121.5750	0.000	1	122.7867	0.738	4	122.7867	0.738	4	124.1253	2.039	37	124.1489	2.945	136	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[5a,6,6a]-3:C[6,6]-3:C[6a]-3:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6]C[6a])(C[5a,6]C[5a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6]C[6a])(C[5a,6]C[5a]C[6]){1|C<4>,2|C<3>,6|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	123.1907	0.358	3	122.7867	0.738	4	122.7867	0.738	4	124.1253	2.039	37	124.1489	2.945	136	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[5,6]-3:C[6a]-3:	C[5a,6,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[5,6]C[6a])(N[5a,6]C[5a]B[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5,6]N[5,6]O[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[5,6]C[6a])(N[5a,6]C[5a]B[6]){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5,6]N[5,6]O[5])(C[6a]C[6a]H){1|B<4>,1|H<1>,5|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]H)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	122.5800	0.440	2	122.5800	0.193	2	122.5800	0.193	2	124.1253	2.039	37	124.1489	2.945	136	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6a]B[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5a,6]C[5a,6a]N[5a,6])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6a]B[6]){1|H<1>,1|N<3>,2|F<1>,5|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5a,6]C[5a,6a]N[5a,6])(C[6a]C[6a,6a]H){1|B<4>,7|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|B<4>,1|H<1>,7|C<3>}	125.4410	0.000	1	125.4410	0.000	1	125.4410	0.000	1	124.1253	2.039	37	124.1489	2.945	136	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6a]B[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5a,6]C[5a,6a]N[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6a]B[6]){1|N<3>,2|F<1>,2|H<1>,4|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5a,6]C[5a,6a]N[5a,6])(C[6a]C[6a]H){1|B<4>,1|C<4>,6|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|B<4>,1|C<4>,1|H<1>,4|C<3>}	123.8960	0.000	1	123.7980	0.019	2	123.7980	0.019	2	124.1253	2.039	37	124.1489	2.945	136	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6a]B[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5a,6]C[5a,6a]N[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6a]B[6]){1|N<3>,2|F<1>,2|H<1>,4|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5a,6]C[5a,6a]N[5a,6])(C[6a]C[6a]H){1|B<4>,1|H<1>,6|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	123.7000	0.000	1	123.7980	0.019	2	123.7980	0.019	2	124.1253	2.039	37	124.1489	2.945	136	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6,6]-3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[5a,6a]C[6,6])(N[5a,6]C[5a,6a]B[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5a,6a]C[5a,6a]2)(C[6,6]N[6,6]C[6])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C)	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[5a,6a]C[6,6])(N[5a,6]C[5a,6a]B[6]){1|C<4>,1|N<3>,2|F<1>,5|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5a,6a]C[5a,6a]2)(C[6,6]N[6,6]C[6]){1|B<4>,1|H<1>,1|N<3>,7|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C){1|B<4>,1|H<1>,1|N<3>,4|C<3>}	125.3640	0.000	1	125.3640	0.000	1	125.3640	0.000	1	124.1253	2.039	37	124.1489	2.945	136	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[6,6]-3:C[6a]-3:	C[5a,6,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6,6a](C[5a,6a]C[6a,6a]C[5a])(C[6,6a]C[6,6]C[6a])(N[5a,6]C[5a]B[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6,6]N[6,6]C[6])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6,6a](C[5a,6a]C[6a,6a]C[5a])(C[6,6a]C[6,6]C[6a])(N[5a,6]C[5a]B[6]){1|H<1>,1|N<3>,2|F<1>,5|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6,6]N[6,6]C[6])(C[6a]C[6a,6a]H){1|B<4>,1|H<1>,6|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C){1|B<4>,1|H<1>,5|C<3>}	124.2410	0.000	1	124.2410	0.000	1	124.2410	0.000	1	124.1253	2.039	37	124.1489	2.945	136	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6a]C[6])(N[5a,6]C[5a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]O[6]O)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6a]C[6])(N[5a,6]C[5a]C[6]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	126.3205	0.535	2	126.3205	0.287	2	125.9560	0.542	3	124.1253	2.039	37	124.1489	2.945	136	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6a]C[6])(N[5a,6]N[5a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]N[5a]I)(C[6a]C[6a]H)	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6a]C[6])(N[5a,6]N[5a]C[6]){1|I<1>,3|C<3>,4|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]N[5a]I)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	125.2270	0.000	1	125.2270	0.000	1	125.9560	0.542	3	124.1253	2.039	37	124.1489	2.945	136	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6]){4|H<1>,5|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]H){1|B<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(N[5a]B[5a]C){1|H<1>,5|C<3>}	124.8800	0.519	6	124.8800	0.270	6	124.8800	0.270	6	124.1253	2.039	37	124.1489	2.945	136	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[5,6]-3:C[6a]-3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(C[6,6a]C[5,6]C[6a])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5,6]N[5,6]O[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(C[6,6a]C[5,6]C[6a]){1|N<3>,1|O<2>,2|F<1>,2|H<1>,3|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5,6]N[5,6]O[5])(C[6a]C[6a]H){1|B<4>,1|C<4>,5|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|B<4>,1|C<4>,1|H<1>,4|C<3>}	121.5140	0.000	1	121.9710	0.418	2	121.8822	0.356	4	124.1253	2.039	37	124.1489	2.945	136	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[5,6]-3:C[6a]-3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(C[6,6a]C[5,6]C[6a])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5,6]N[5,6]O[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(C[6,6a]C[5,6]C[6a]){1|N<3>,2|H<1>,3|C<3>,3|O<2>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5,6]N[5,6]O[5])(C[6a]C[6a]H){1|B<4>,1|H<1>,5|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	122.4280	0.000	1	121.9710	0.418	2	121.8822	0.356	4	124.1253	2.039	37	124.1489	2.945	136	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[5,6]-3:C[6a]-3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(C[6,6a]C[5,6]C[6a])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5,6]N[5,6]S[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(C[6,6a]C[5,6]C[6a]){1|N<3>,1|S<2>,2|C<2>,2|H<1>,3|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5,6]N[5,6]S[5])(C[6a]C[6a]H){1|B<4>,1|C<4>,5|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|B<4>,1|C<4>,1|H<1>,4|C<3>}	122.3500	0.000	1	121.7935	0.619	2	121.8822	0.356	4	124.1253	2.039	37	124.1489	2.945	136	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[5,6]-3:C[6a]-3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(C[6,6a]C[5,6]C[6a])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5,6]N[5,6]S[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(C[6,6a]C[5,6]C[6a]){1|N<3>,1|S<2>,2|H<1>,5|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5,6]N[5,6]S[5])(C[6a]C[6a]H){1|B<4>,1|C<4>,5|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|B<4>,1|C<4>,1|H<1>,4|C<3>}	121.2370	0.000	1	121.7935	0.619	2	121.8822	0.356	4	124.1253	2.039	37	124.1489	2.945	136	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[6]-3:C[6a]-3:	C[5a,6,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5,6]C[5a])(C[6,6a]C[6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6]N[5,6]O)(C[6a]C[6a]H)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5,6]C[5a])(C[6,6a]C[6a]C[6]){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6]N[5,6]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	124.3960	0.000	1	124.3960	0.000	1	124.3960	0.000	1	124.1253	2.039	37	124.1489	2.945	136	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5,6]C[5a])(C[6,6a]C[6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]O[6]O)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5,6]C[5a])(C[6,6a]C[6a]C[6]){1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	124.8340	0.000	1	124.8340	0.000	1	124.8340	0.000	1	124.1253	2.039	37	124.1489	2.945	136	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[5a,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[6,6a]-3:C[6a]-3:	C[5a,6,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6,6a](C[6,6a]C[6,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]Cl)(C[6a]C[6a]H)	C[5a,6,6a](C[6,6a]C[6,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a]C[6]){1|Cl<1>,4|C<3>,4|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|H<1>,5|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]Cl)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	125.2555	0.078	2	125.2555	0.006	2	125.2555	0.006	2	124.1253	2.039	37	124.1489	2.945	136	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:2:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[5a,6,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]C[6]){1|C<3>,2|C<4>,6|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	122.0995	0.758	6	122.0995	0.575	6	122.6764	2.809	7	122.6764	2.809	7	124.1489	2.945	136	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:2:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[5a,6,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[5a,6]N[5a]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]N)(O[5a]N[5a])	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[5a,6]N[5a]C[6])(C[6,6a]C[6a]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]N)(O[5a]N[5a]){1|C<3>,1|H<1>,2|C<4>}	126.1380	0.000	1	126.1380	0.000	1	122.6764	2.809	7	122.6764	2.809	7	124.1489	2.945	136	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[5a,6,6a]-3:C[5a,5a]-3:C[6a]-3:	C[5a,6,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a,6]C[5a,5a]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]H)	C[5a,6,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a,6]C[5a,5a]C[6])(C[6,6a]C[6a]C[6]){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	123.1730	0.000	1	123.1730	0.000	1	123.1730	0.000	1	123.8029	1.564	17	124.1489	2.945	136	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]C[6]){1|C<3>,3|C<4>,6|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	122.5320	0.000	1	122.5320	0.000	1	122.7419	0.222	8	123.8029	1.564	17	124.1489	2.945	136	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]C[6]){1|C<4>,2|C<3>,7|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	123.1965	0.057	2	123.1965	0.003	2	122.7419	0.222	8	123.8029	1.564	17	124.1489	2.945	136	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]C[6]){1|C<4>,1|S<4>,2|C<3>,6|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,2|C<4>,2|H<1>}	122.6680	0.000	1	122.6680	0.000	1	122.7419	0.222	8	123.8029	1.564	17	124.1489	2.945	136	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]C[6]){1|C<4>,1|S<4>,2|C<3>,6|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Br<1>,1|C<4>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|Br<1>,2|C<3>,2|C<4>}	122.9310	0.000	1	123.0080	0.012	2	122.7419	0.222	8	123.8029	1.564	17	124.1489	2.945	136	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]C[6]){1|C<4>,1|S<4>,2|C<3>,6|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]S){2|C<4>,3|C<3>}	123.0850	0.000	1	123.0080	0.012	2	122.7419	0.222	8	123.8029	1.564	17	124.1489	2.945	136	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]C[6]){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	122.5280	0.000	1	122.5280	0.000	1	122.7419	0.222	8	123.8029	1.564	17	124.1489	2.945	136	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]N[6a]Cl)(C[6]C[6]HH)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]N[6a]H)(N[5a]C[5a]S)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]C[6]){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,1|S<4>,5|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]N[6a]Cl)(C[6]C[6]HH){1|C<4>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]N[6a]H)(N[5a]C[5a]S){2|C<3>,2|C<4>}	121.7980	0.000	1	121.7980	0.000	1	122.7419	0.222	8	123.8029	1.564	17	124.1489	2.945	136	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[5a,6,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6a]C[6])(N[5a,6]C[5a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6a]C[6])(N[5a,6]C[5a]C[6]){1|C<2>,1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	125.3530	0.000	1	124.7377	0.768	3	125.0066	0.525	5	123.8029	1.564	17	124.1489	2.945	136	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[5a,6,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6a]C[6])(N[5a,6]C[5a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6a]C[6])(N[5a,6]C[5a]C[6]){1|C<3>,3|C<4>,6|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,3|C<4>}	125.1260	0.000	1	124.7377	0.768	3	125.0066	0.525	5	123.8029	1.564	17	124.1489	2.945	136	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[5a,6,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6a]C[6])(N[5a,6]C[5a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6a]C[6])(N[5a,6]C[5a]C[6]){2|C<3>,2|C<4>,6|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	123.7340	0.000	1	124.7377	0.768	3	125.0066	0.525	5	123.8029	1.564	17	124.1489	2.945	136	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[5a,6,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6a]C[6])(N[5a,6]C[5a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6a]C[6])(N[5a,6]C[5a]C[6]){2|C<3>,2|C<4>,6|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	125.4100	0.146	2	125.4100	0.021	2	125.0066	0.525	5	123.8029	1.564	17	124.1489	2.945	136	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6a]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a,6a]Cl)(C[6]C[6]HH)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6a]C[6])(C[6,6a]C[6a]C[6]){1|Cl<1>,1|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a,6a]Cl)(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a]){2|C<4>,2|H<1>,5|C<3>}	125.0570	0.000	1	125.0570	0.000	1	125.3170	0.135	2	123.8029	1.564	17	124.1489	2.945	136	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6a]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6a]C[6])(C[6,6a]C[6a]C[6]){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a,6a]H)(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a]){2|C<4>,2|H<1>,5|C<3>}	125.5770	0.000	1	125.5770	0.000	1	125.3170	0.135	2	123.8029	1.564	17	124.1489	2.945	136	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]N[6a]C)(C[6]C[6]HH)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]H)	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[6,6a]C[6a]C[6]){1|N<2>,2|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]N[6a]C)(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]H){1|H<1>,2|C<4>,3|C<3>}	123.8750	0.000	1	123.8750	0.000	1	123.8750	0.000	1	123.8029	1.564	17	124.1489	2.945	136	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:4:3:	3:3:2:	N[5a,6]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[6]-4:C[6a]-3:	C[5a,6,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6,6a](N[5a,6]C[6,6a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6,6a](N[5a,6]C[6,6a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6]){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	126.3075	0.752	2	126.3075	0.565	2	126.3075	0.565	2	126.3075	0.565	2	124.1489	2.945	136	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:4:3:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[6]-4:C[6a]-3:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6,6a](C[5a,6]C[5,6]C[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6,6a](C[5a,6]C[5,6]C[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6]){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	123.1120	0.000	1	123.1120	0.000	1	122.7676	0.363	5	123.4263	1.809	15	124.1489	2.945	136	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:4:3:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[6]-4:C[6a]-3:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6,6a](C[5a,6]C[6,6]C[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6]C[6,6]CC)(C[6a]C[6a]H)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6,6a](C[5a,6]C[6,6]C[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6]){1|C<3>,4|H<1>,5|C<4>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6]C[6,6]CC)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>,3|C<4>}	122.3533	0.081	3	122.6815	0.435	4	122.7676	0.363	5	123.4263	1.809	15	124.1489	2.945	136	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:4:3:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[6]-4:C[6a]-3:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6,6a](C[5a,6]C[6,6]C[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6]C[6,6]CC)(C[6a]C[6a]H)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6,6a](C[5a,6]C[6,6]C[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6]){2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6]C[6,6]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	123.6660	0.000	1	122.6815	0.435	4	122.7676	0.363	5	123.4263	1.809	15	124.1489	2.945	136	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:4:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[5a,6,6a]-3:C[6,6]-4:C[6a]-3:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6]C[6a])(C[5a,6]C[5a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6]C[6a])(C[5a,6]C[5a]C[6]){1|C<4>,3|C<3>,6|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	122.4510	0.000	1	122.4510	0.000	1	123.2422	0.168	8	123.4263	1.809	15	124.1489	2.945	136	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:4:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[5a,6,6a]-3:C[6,6]-4:C[6a]-3:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6]C[6a])(C[5a,6]C[5a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6]C[6a])(C[5a,6]C[5a]C[6]){1|C<3>,2|C<4>,7|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H){2|C<4>,2|N<3>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	123.7030	0.000	1	123.4958	0.067	4	123.2422	0.168	8	123.4263	1.809	15	124.1489	2.945	136	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:4:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[5a,6,6a]-3:C[6,6]-4:C[6a]-3:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6]C[6a])(C[5a,6]C[5a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6]C[6a])(C[5a,6]C[5a]C[6]){1|C<4>,2|C<3>,7|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	123.4267	0.268	3	123.4958	0.067	4	123.2422	0.168	8	123.4263	1.809	15	124.1489	2.945	136	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:4:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[5a,6,6a]-3:C[6,6]-4:C[6a]-3:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6]C[6a])(C[5a,6]C[5a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]O)(C[6a]C[6a]H)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6]C[6a])(C[5a,6]C[5a]C[6]){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	123.1655	0.279	2	123.1655	0.078	2	123.2422	0.168	8	123.4263	1.809	15	124.1489	2.945	136	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:4:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[5a,6,6a]-3:C[6,6]-4:C[6a]-3:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6]C[6a])(C[5a,6]C[5a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6]C[6a])(C[5a,6]C[5a]C[6]){1|C<4>,2|C<3>,7|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	123.1730	0.000	1	123.1730	0.000	1	123.2422	0.168	8	123.4263	1.809	15	124.1489	2.945	136	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:4:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	C[5a,6,6a]-3:B[6]-4:C[6a]-3:	C[5a,6,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5,6]C[5a])(C[6,6a]C[6a]B[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(B[6]N[5,6]Cl2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5,6]C[5a])(C[6,6a]C[6a]B[6]){2|Cl<1>,1|C<3>,1|N<3>,1|O<2>,4|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(B[6]N[5,6]Cl2)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]H)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	127.9190	0.000	1	127.9190	0.000	1	127.9190	0.000	1	123.4263	1.809	15	124.1489	2.945	136	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:4:3:	3:3:3:	N[5a,6]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6,6a]-3:Si[6]-4:C[6a]-3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6,6a](N[5a,6]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6a]Si[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(Si[6]C[6,6a]CC)(C[6a]C[6a]H)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6,6a](N[5a,6]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6a]Si[6]){2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(Si[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|Si<4>,2|H<1>,4|C<3>}	123.7000	0.000	1	123.7000	0.000	1	123.7000	0.000	1	123.4263	1.809	15	124.1489	2.945	136	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6,6]	3:3:2:	3:3:3:	3:3:4:	C[5a,6,6]-3:C[6,6a]-3:N[5a]-2:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:C[6,6]-4:	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(N[5a]O[5a])	C[6,6a](C[5a,6]C[5a,6,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5a,6,6](C[5a,6]C[6,6a]N[5a])(C[5a,6]O[5a]C[6])(C[6,6]C[6]2O)	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(N[5a]O[5a]){2|C<4>,2|O<2>,3|C<3>}	C[6,6a](C[5a,6]C[5a,6,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6,6](C[5a,6]C[6,6a]N[5a])(C[5a,6]O[5a]C[6])(C[6,6]C[6]2O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	119.2790	0.000	1	119.2790	0.000	1	117.9565	3.498	2	119.2317	6.627	3	118.6282	5.875	4	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6,6]	3:3:2:	3:3:3:	3:3:4:	C[5a,6,6]-3:C[6,6a]-3:N[5a]-2:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:C[6,6]-4:	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(N[5a]O[5a])	C[6,6a](C[5a,6]C[5a,6,6]N[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5a,6,6](C[5a,6]C[6,6a]N[5a])(C[5a,6]O[5a]C[6])(C[6,6]C[6]O[6]H)	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(N[5a]O[5a]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5a,6]C[5a,6,6]N[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6,6](C[5a,6]C[6,6a]N[5a])(C[5a,6]O[5a]C[6])(C[6,6]C[6]O[6]H){1|C<4>,2|C<3>,4|H<1>}	116.6340	0.000	1	116.6340	0.000	1	117.9565	3.498	2	119.2317	6.627	3	118.6282	5.875	4	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6,6]	3:3:2:	3:3:3:	3:3:4:	C[5a,6,6]-3:C[6,6a]-3:O[5a]-2:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:C[6,6]-4:	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(O[5a]C[5a])	C[6,6a](C[5a,6]C[5a,6,6]O[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5a,6,6](C[5a,6]C[6,6a]O[5a])(C[5a,6]C[5,6]C[5a])(C[6,6]C[5,6]O[6]H)	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(O[5a]C[5a]){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[5a,6]C[5a,6,6]O[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[5a,6,6](C[5a,6]C[6,6a]O[5a])(C[5a,6]C[5,6]C[5a])(C[6,6]C[5,6]O[6]H){1|O<2>,7|C<3>}	121.7820	0.000	1	121.7820	0.000	1	121.7820	0.000	1	119.2317	6.627	3	118.6282	5.875	4	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6,6]-3:C[6,6a]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6]-3:N[5a,6]-3:	C[5a,6](C[5a,6,6]N[5a,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]H)	C[6,6a](C[5a,6]C[5a,6,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]O)	C[5a,6,6](C[5a,6]C[6,6a]C[5a])(C[6,6]C[5a,6]N[6])(N[5a,6]C[5a]B[6])	C[5a,6](C[5a,6,6]N[5a,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]H){1|B<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6,6a](C[5a,6]C[5a,6,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]O){1|N<3>,3|C<3>,4|H<1>}	C[5a,6,6](C[5a,6]C[6,6a]C[5a])(C[6,6]C[5a,6]N[6])(N[5a,6]C[5a]B[6]){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	116.8180	0.000	1	116.8180	0.000	1	116.8180	0.000	1	116.8180	0.000	1	118.6282	5.875	4	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(N[5a]N[5a])	C[6,6a](C[5a,6]C[5a,6,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a,6,6a](C[5a,6]C[6,6a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6])	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(N[5a]N[5a]){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[5a,6]C[5a,6,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5a,6,6a](C[5a,6]C[6,6a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	119.8640	0.000	1	119.1810	0.161	5	119.1810	0.161	5	119.1810	0.161	5	118.5802	3.506	9	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(N[5a]N[5a])	C[6,6a](C[5a,6]C[5a,6,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a,6,6a](C[5a,6]C[6,6a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6])	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(N[5a]N[5a]){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[5a,6]C[5a,6,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5a,6,6a](C[5a,6]C[6,6a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	119.0102	0.145	4	119.1810	0.161	5	119.1810	0.161	5	119.1810	0.161	5	118.5802	3.506	9	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6,6a]-3:C[6,6a]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[6a]O[5a])	C[6,6a](C[5a,6]C[5a,6,6a]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5a,6,6a](C[5a,6]C[6,6a]C[5a])(C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[6a]O[5a]){1|O<2>,7|C<3>}	C[6,6a](C[5a,6]C[5a,6,6a]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5a,6,6a](C[5a,6]C[6,6a]C[5a])(C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6]){1|O<1>,2|H<1>,4|C<3>}	115.4140	0.061	2	115.4140	0.004	2	115.4140	0.004	2	117.8293	7.780	4	118.5802	3.506	9	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(N[5a]N[5a]C)	C[6,6a](C[5a,6]C[5a,6,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a,6,6a](C[5a,6]C[6,6a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6])	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(N[5a]N[5a]C){1|H<1>,5|C<3>}	C[6,6a](C[5a,6]C[5a,6,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[5a,6,6a](C[5a,6]C[6,6a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	120.2445	0.059	2	120.2445	0.003	2	120.2445	0.003	2	117.8293	7.780	4	118.5802	3.506	9	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6]	3:3:2:	3:3:3:	3:2:2:	C[6,6a]-3:C[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:S[5a]-2:S[6]-2:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]S[5a]S[6])(N[5a]C[5a])	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[5a,6](C[5a,6]C[6,6a]N[5a])(S[5a]C[5a])(S[6]S[6])	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]S[5a]S[6])(N[5a]C[5a]){1|H<1>,1|S<2>,3|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|S<2>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(S[5a]C[5a])(S[6]S[6]){3|C<3>}	124.3770	0.000	1	124.3770	0.000	1	124.3770	0.000	1	124.3770	0.000	1	122.8715	8.838	126	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:2:	C[5a,6]-3:C[6,6a]-3:N[5a]-2:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:N[5a,6]-3:N[5a]-2:	C[5a,6](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(N[5a]N[5a])	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6](C[5a,6]C[6,6a]N[5a])(N[5a,6]C[5a,6]N[5a])(N[5a]N[5a])	C[5a,6](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(N[5a]N[5a]){1|H<1>,1|N<2>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(N[5a,6]C[5a,6]N[5a])(N[5a]N[5a]){1|N<2>,4|C<3>}	122.5500	0.000	1	122.5500	0.000	1	122.5500	0.000	1	124.1309	9.748	9	122.8715	8.838	126	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:2:	C[5a,6]-3:C[6,6a]-3:S[5a]-2:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:S[6]-2:	C[5a,6](C[5a,6]C[5a,6a]S[6])(C[6,6a]C[6,6a]C[6a])(S[5a]C[5a,6a])	C[6,6a](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]S[5a])(S[6]S[6])	C[5a,6](C[5a,6]C[5a,6a]S[6])(C[6,6a]C[6,6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,1|S<2>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,1|S<2>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]S[5a])(S[6]S[6]){1|H<1>,4|C<3>}	127.2655	0.844	2	127.2685	0.282	4	127.2685	0.282	4	124.1309	9.748	9	122.8715	8.838	126	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:2:	C[5a,6]-3:C[6,6a]-3:S[5a]-2:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:S[6]-2:	C[5a,6](C[5a,6]C[5a,6a]S[6])(C[6,6a]C[6,6a]C[6a])(S[5a]C[5a,6a])	C[6,6a](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]S[5a])(S[6]S[6])	C[5a,6](C[5a,6]C[5a,6a]S[6])(C[6,6a]C[6,6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,1|S<2>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]S[5a])(S[6]S[6]){1|H<1>,4|C<3>}	127.2715	0.368	2	127.2685	0.282	4	127.2685	0.282	4	124.1309	9.748	9	122.8715	8.838	126	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:2:	C[6,6a]-3:C[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]O[6])(N[5a]N[5a])	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a,6](C[5a,6]C[6,6a]N[5a])(N[5a]N[5a]C)(O[6]C[6])	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]O[6])(N[5a]N[5a]){1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,1|O<2>,4|H<1>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(N[5a]N[5a]C)(O[6]C[6]){2|C<3>,2|H<1>}	119.4810	0.000	1	119.4810	0.000	1	119.4810	0.000	1	124.1309	9.748	9	122.8715	8.838	126	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:2:	C[6,6a]-3:C[5a,6]-3:O[5a]-2:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-3:O[5a]-2:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]O[5a]C[6])(O[5a]B[5a])	C[6,6a](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[6]C[6a]O[6])(O[5a]B[5a])	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]O[5a]C[6])(O[5a]B[5a]){1|H<1>,1|O<2>,2|F<1>,3|C<3>}	C[6,6a](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[6]C[6a]O[6])(O[5a]B[5a]){2|F<1>,4|C<3>}	122.4730	0.000	1	122.4730	0.000	1	122.4730	0.000	1	124.1309	9.748	9	122.8715	8.838	126	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:2:	C[6,6a]-3:C[5a,6]-3:S[5a]-2:	C[3x6,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6](C[6,6a]C[3x6,6a]C[6a])(C[5a,6]C[5a]O[6])(S[5a]C[5a])	C[6,6a](C[3x6,6a]C[3x6,6a]C[4x6])(C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]H)	C[5a,6](C[5a,6]C[6,6a]S[5a])(C[5a]C[5a]H)(O[6]C[4x6])	C[5a,6](C[6,6a]C[3x6,6a]C[6a])(C[5a,6]C[5a]O[6])(S[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[3x6,6a]C[3x6,6a]C[4x6])(C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[5a,6](C[5a,6]C[6,6a]S[5a])(C[5a]C[5a]H)(O[6]C[4x6]){1|H<1>,4|C<3>}	121.8000	0.154	2	121.8000	0.024	2	121.8000	0.024	2	124.1309	9.748	9	122.8715	8.838	126	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:3:	C[5a,6]-3:C[6,6a]-3:O[5a]-2:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:N[6]-3:	C[5a,6](C[5a,6]C[5a,6a]N[6])(C[6,6a]C[6,6a]C[6a])(O[5a]C[5a,6a])	C[6,6a](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[5a,6a]C[5a,6a]2)(N[6]C[6]Cd)	C[5a,6](C[5a,6]C[5a,6a]N[6])(C[6,6a]C[6,6a]C[6a])(O[5a]C[5a,6a]){1|Cd<4>,1|H<1>,5|C<3>}	C[6,6a](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<1>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[5a,6a]C[5a,6a]2)(N[6]C[6]Cd){1|N<1>,5|C<3>}	123.6080	0.000	1	123.6080	0.000	1	123.6080	0.000	1	125.7771	5.947	24	122.8715	8.838	126	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:C[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:N[6]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]N[6])(N[5a]N[5a])	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[6a]N[5a])(N[6]S[6]C)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]N[6])(N[5a]N[5a]){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[6a]N[5a])(N[6]S[6]C){1|H<1>,2|O<1>,4|C<3>}	124.3550	0.000	1	124.3550	0.000	1	123.6485	0.365	11	125.7771	5.947	24	122.8715	8.838	126	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:C[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:N[6]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]N[6])(N[5a]N[5a])	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]N[5a]C)(N[6]S[6]C)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]N[6])(N[5a]N[5a]){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]N[5a]C)(N[6]S[6]C){1|C<4>,2|C<3>,2|O<1>}	123.5778	0.587	10	123.5778	0.345	10	123.6485	0.365	11	125.7771	5.947	24	122.8715	8.838	126	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:C[5a,6]-3:O[5a]-2:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(O[5a]C[5a])	C[6,6a](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[5a]C[5a]C)(C[6]C[6]O)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(O[5a]C[5a]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[5a]C[5a]C)(C[6]C[6]O){1|H<1>,1|O<1>,2|C<3>}	128.3110	0.135	4	128.2736	0.021	5	128.3339	0.021	11	125.7771	5.947	24	122.8715	8.838	126	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:C[5a,6]-3:O[5a]-2:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(O[5a]C[5a])	C[6,6a](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[5a]C[5a]C)(C[6]C[6]O)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(O[5a]C[5a]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,2|F<1>,4|C<3>}	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[5a]C[5a]C)(C[6]C[6]O){1|H<1>,2|C<3>,2|F<1>}	128.1240	0.000	1	128.2736	0.021	5	128.3339	0.021	11	125.7771	5.947	24	122.8715	8.838	126	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:C[5a,6]-3:O[5a]-2:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(O[5a]C[5a])	C[6,6a](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[5a]C[5a]C)(C[6]C[6]O)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(O[5a]C[5a]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<1>,5|C<3>}	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[5a]C[5a]C)(C[6]C[6]O){1|H<1>,1|O<1>,2|C<3>}	128.3260	0.000	1	128.3260	0.000	1	128.3339	0.021	11	125.7771	5.947	24	122.8715	8.838	126	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:C[5a,6]-3:O[5a]-2:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(O[5a]C[5a])	C[6,6a](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[5a]C[5a]C[6a])(C[6]C[6]O)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(O[5a]C[5a]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){1|O<1>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[5a]C[5a]C[6a])(C[6]C[6]O){1|H<1>,1|O<1>,4|C<3>}	128.4630	0.000	1	128.4630	0.000	1	128.3339	0.021	11	125.7771	5.947	24	122.8715	8.838	126	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:C[5a,6]-3:O[5a]-2:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(O[5a]C[5a])	C[6,6a](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[5a]C[5a]C)(C[6]C[6]O)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(O[5a]C[5a]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[5a]C[5a]C)(C[6]C[6]O){1|O<1>,3|C<3>}	128.1720	0.000	1	128.1720	0.000	1	128.3339	0.021	11	125.7771	5.947	24	122.8715	8.838	126	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:C[5a,6]-3:O[5a]-2:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(O[5a]C[5a])	C[6,6a](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[5a]C[5a]C[6a])(C[6]C[6]O)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(O[5a]C[5a]){1|H<1>,1|O<1>,5|C<3>}	C[6,6a](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[5a]C[5a]C[6a])(C[6]C[6]O){1|O<1>,5|C<3>}	128.4480	0.108	3	128.4480	0.012	3	128.3339	0.021	11	125.7771	5.947	24	122.8715	8.838	126	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:C[5a,6]-3:S[5a]-2:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:N[6]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]N[6])(S[5a]C[5a])	C[6,6a](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a,6](C[5a,6]C[6,6a]S[5a])(C[5a]C[5a]H)(N[6]C[6]C)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]N[6])(S[5a]C[5a]){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[6,6a]S[5a])(C[5a]C[5a]H)(N[6]C[6]C){2|C<3>,3|H<1>}	123.2360	0.000	1	123.2360	0.000	1	123.2360	0.000	1	125.7771	5.947	24	122.8715	8.838	126	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:4:	C[6,6a]-3:C[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]O[5a])	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]F)	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]O[5a]C)(C[6]O[6]HH)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]O[5a]){1|C<4>,1|F<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]F){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]O[5a]C)(C[6]O[6]HH){2|C<3>}	119.0040	0.000	1	119.0040	0.000	1	119.6015	0.714	2	121.5428	2.468	6	122.8715	8.838	126	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:4:	C[6,6a]-3:C[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]O[5a])	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]O[5a]C)(C[6]O[6]HH)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]O[5a]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]O[5a]C)(C[6]O[6]HH){2|C<3>}	120.1990	0.000	1	120.1990	0.000	1	119.6015	0.714	2	121.5428	2.468	6	122.8715	8.838	126	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:4:	C[6,6a]-3:C[5a,6]-3:S[5a]-2:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(S[5a]C[5a])	C[6,6a](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]2)	C[5a,6](C[5a,6]C[6,6a]S[5a])(C[5a]C[5a]H)(C[6]C[6]HH)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(S[5a]C[5a]){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]2){1|C<4>,4|H<1>,5|C<3>}	C[5a,6](C[5a,6]C[6,6a]S[5a])(C[5a]C[5a]H)(C[6]C[6]HH){2|H<1>,3|C<3>}	122.5135	0.327	4	122.5135	0.107	4	122.5135	0.107	4	121.5428	2.468	6	122.8715	8.838	126	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6]	3:3:2:	3:3:3:	3:4:2:	C[6,6a]-3:C[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6]-4:S[5a]-2:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[6,6]S[5a])(N[5a]C[5a])	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[6,6]C[6]2O[6])(S[5a]C[5a])	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[6,6]S[5a])(N[5a]C[5a]){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[6,6]C[6]2O[6])(S[5a]C[5a]){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	119.3950	0.000	1	119.3950	0.000	1	119.3950	0.000	1	121.5008	4.443	4	122.8715	8.838	126	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6]	3:3:2:	3:3:3:	3:4:2:	C[6,6a]-3:C[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]S[5a]C[6])(N[5a]C[5a])	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH)(S[5a]C[5a])	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]S[5a]C[6])(N[5a]C[5a]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|C<3>,4|H<1>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH)(S[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	121.0920	0.124	2	121.0920	0.015	2	121.0920	0.015	2	121.5008	4.443	4	122.8715	8.838	126	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6]	3:3:2:	3:3:3:	3:4:2:	C[6,6a]-3:C[5a,6]-3:O[5a]-2:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(O[5a]C[5a])	C[6,6a](C[5a,6]C[5a,6]O[5a])(C[6,6a]N[6a]O[6])(C[6a]C[6a]H)	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[6]O[6]HH)(N[5a]C[5a])	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(O[5a]C[5a]){1|C<3>,1|N<2>,1|O<2>,4|H<1>}	C[6,6a](C[5a,6]C[5a,6]O[5a])(C[6,6a]N[6a]O[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>}	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[6]O[6]HH)(N[5a]C[5a]){1|H<1>,2|C<3>}	124.4240	0.000	1	124.4240	0.000	1	124.4240	0.000	1	121.5008	4.443	4	122.8715	8.838	126	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6]	3:3:2:	3:3:3:	3:4:3:	C[6,6a]-3:C[5a,6]-3:S[5a]-2:	C[5,6,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6](C[6,6a]C[5,6,6a]C[6a])(C[5a,6]C[5a]C[6])(S[5a]C[5a])	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]H)	C[5a,6](C[5a,6]C[6,6a]S[5a])(C[6]N[5,6]HH)(C[5a]C[5a]H)	C[5a,6](C[6,6a]C[5,6,6a]C[6a])(C[5a,6]C[5a]C[6])(S[5a]C[5a]){1|N<3>,2|C<3>,5|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[5a,6](C[5a,6]C[6,6a]S[5a])(C[6]N[5,6]HH)(C[5a]C[5a]H){1|H<1>,3|C<3>}	122.8790	0.342	4	122.8790	0.117	4	122.8790	0.117	4	122.8790	0.117	4	122.8715	8.838	126	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6]	3:3:2:	3:3:3:	4:3:3:	C[6,6a]-3:C[5a,6]-3:S[5a]-2:	C[6,6,6a]-3:C[5a,6]-3:C[6a]-3:	C[3x6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](C[6,6a]C[6,6,6a]C[6a])(C[5a,6]C[3x6]C[5a])(S[5a]C[5a])	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]O)	C[5a,6](C[3x6]C[6,6,6a]C[3x6]C[6])(C[5a,6]C[6,6a]S[5a])(C[5a]C[5a]H)	C[5a,6](C[6,6a]C[6,6,6a]C[6a])(C[5a,6]C[3x6]C[5a])(S[5a]C[5a]){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]O){1|H<1>,3|C<4>,4|C<3>}	C[5a,6](C[3x6]C[6,6,6a]C[3x6]C[6])(C[5a,6]C[6,6a]S[5a])(C[5a]C[5a]H){2|C<4>,3|H<1>,5|C<3>}	122.5995	0.487	2	122.5995	0.237	2	122.5995	0.237	2	122.5995	0.237	2	122.8715	8.838	126	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:2:	3:3:3:	C[5a,6]-3:C[6,6a]-3:N[5a]-3:	C[5a,6]-3:N[6,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]N[6,6a]N[6a])(N[5a]C[5a,6a]C)	C[6,6a](C[5a,6]C[5a,6]N[5a])(N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]C)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]N[6,6a]N[6a])(N[5a]C[5a,6a]C){1|C<4>,5|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(N[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]C){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	123.0470	0.000	1	123.0470	0.000	1	123.0470	0.000	1	123.0470	0.000	1	122.8715	8.838	126	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:2:	3:3:4:	C[5a,6]-3:C[6,6a]-3:N[5a]-3:	C[5a,6]-3:C[6,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]N[6a])(N[5a]C[5a,6a]H)	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(N[6a]C[6,6a])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]N[6a])(N[5a]C[5a,6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(N[6a]C[6,6a]){1|C<4>,4|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH){1|N<2>,3|C<3>,4|H<1>}	124.0095	0.207	2	124.0095	0.043	2	124.3919	0.301	12	123.8895	1.850	15	122.8715	8.838	126	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:2:	3:3:4:	C[5a,6]-3:C[6,6a]-3:N[5a]-3:	C[5a,6]-3:C[6,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]N[6a])(N[5a]C[5a,6a]H)	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]N[6a])(N[5a]C[5a,6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|C<4>,3|H<1>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH){1|N<2>,3|C<3>,4|H<1>}	123.9060	0.000	1	123.9060	0.000	1	124.3919	0.301	12	123.8895	1.850	15	122.8715	8.838	126	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:2:	3:3:4:	C[5a,6]-3:C[6,6a]-3:N[5a]-3:	C[5a,6]-3:C[6,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]N[6a])(N[5a]C[5a,6a]H)	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]N[6a])(N[5a]C[5a,6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH){1|N<2>,3|C<3>,4|H<1>}	124.5309	0.566	9	124.5309	0.320	9	124.3919	0.301	12	123.8895	1.850	15	122.8715	8.838	126	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:N[6a]-2:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]N[6a])(C[5a,6]N[5a]C[6])(C[5a]N[5a]H)	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[6a]N[5a])(C[6]C[6]HH)	C[5a,6](C[6,6a]C[6,6a]N[6a])(C[5a,6]N[5a]C[6])(C[5a]N[5a]H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|C<4>,1|N<2>,2|C<3>,2|N<3>,3|H<1>}	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[6a]N[5a])(C[6]C[6]HH){1|N<2>,3|C<3>,3|H<1>}	120.9100	1.341	2	120.9100	1.797	2	120.9100	1.797	2	123.8895	1.850	15	122.8715	8.838	126	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[6,6a]-3:N[6a]-2:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]N[6a])(C[5a,6]C[5a]C[6])(N[5a]N[5a]H)	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]N[5a]C)(C[6]C[6]HH)	C[5a,6](C[6,6a]C[6,6a]N[6a])(C[5a,6]C[5a]C[6])(N[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]N[5a]C)(C[6]C[6]HH){1|C<3>,1|N<2>,3|H<1>}	123.8200	0.000	1	123.8200	0.000	1	123.8200	0.000	1	123.8895	1.850	15	122.8715	8.838	126	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:2:3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]S[5a]C[6])(C[5a]C[5a]C)	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a,6](C[5a,6]C[6,6a]C[5a])(S[5a]C[5a])(C[6]C[6]O)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]S[5a]C[6])(C[5a]C[5a]C){1|H<1>,1|O<1>,1|S<2>,3|C<3>}	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[6,6a]C[5a])(S[5a]C[5a])(C[6]C[6]O){1|O<1>,1|S<2>,3|C<3>}	118.7890	0.000	1	118.7890	0.000	1	118.7890	0.000	1	118.7890	0.000	1	122.8715	8.838	126	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:2:	C[5a,6]-3:C[6,6a]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:N[6]-2:	C[5a,6](C[5a,6]C[5a,6a]N[6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[6a])	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(N[6]S[6])	C[5a,6](C[5a,6]C[5a,6a]N[6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[6a]){1|H<1>,1|S<4>,6|C<3>}	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|N<2>,2|H<1>,2|O<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(N[6]S[6]){1|H<1>,2|O<1>,5|C<3>}	120.2240	0.000	1	120.2240	0.000	1	120.2240	0.000	1	120.2240	0.000	1	122.8715	8.838	126	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[6,6a]-3:N[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:N[6,6a]-3:C[5a]-3:	C[5a,6](C[5a,6]N[6,6a]C[5a])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]C)	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[5a,6](C[5a,6]C[6,6a]N[5a])(N[6,6a]C[6,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6](C[5a,6]N[6,6a]C[5a])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]C){2|H<1>,5|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(N[6,6a]C[6,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,2|H<1>,6|C<3>}	122.9470	0.000	1	122.9470	0.000	1	122.9470	0.000	1	120.7463	6.928	18	122.8715	8.838	126	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[6,6a]-3:N[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]H)	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]N[6]N)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]N[6]N){3|H<1>,4|C<3>}	122.9990	0.000	1	122.9563	1.149	6	122.9563	1.149	6	120.7463	6.928	18	122.8715	8.838	126	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[6,6a]-3:N[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]H)	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]N[6]N)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]N[6]N){3|H<1>,4|C<3>}	123.1997	1.586	3	122.9563	1.149	6	122.9563	1.149	6	120.7463	6.928	18	122.8715	8.838	126	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[6,6a]-3:N[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]H)	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]N[6]N)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]N[6]N){3|H<1>,4|C<3>}	122.5700	0.484	2	122.9563	1.149	6	122.9563	1.149	6	120.7463	6.928	18	122.8715	8.838	126	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-3:N[5a]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]C)	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5a,6](C[5a,6]C[6,6a]C[5a])(C[6]C[6a]O[6])(N[5a]C[5a]H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]C){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	C[5a,6](C[5a,6]C[6,6a]C[5a])(C[6]C[6a]O[6])(N[5a]C[5a]H){6|C<3>}	116.6190	0.000	1	116.6190	0.000	1	116.6190	0.000	1	120.7463	6.928	18	122.8715	8.838	126	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]C)	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[5a]H)(C[6]C[6]O)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]C){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[5a]H)(C[6]C[6]O){1|C<4>,1|O<1>,3|C<3>}	119.2610	0.000	1	119.2610	0.000	1	118.7343	0.237	3	120.7463	6.928	18	122.8715	8.838	126	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]H)	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[5a]H)(C[6]N[6]C)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[5a]H)(C[6]N[6]C){2|C<3>,3|H<1>}	118.6410	0.000	1	118.6410	0.000	1	118.7343	0.237	3	120.7463	6.928	18	122.8715	8.838	126	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]H)	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[5a]S)(C[6]N[6]H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]H){1|N<3>,1|S<4>,2|C<3>,3|H<1>}	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[5a]S)(C[6]N[6]H){1|O<1>,2|C<3>,2|H<1>}	118.3010	0.000	1	118.3010	0.000	1	118.7343	0.237	3	120.7463	6.928	18	122.8715	8.838	126	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]N[6])(C[5a]N[5a]C)	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[6a]N[5a])(N[6]C[6a]C[6])	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]N[6])(C[5a]N[5a]C){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[6a]N[5a])(N[6]C[6a]C[6]){1|C<4>,1|H<1>,7|C<3>}	117.0770	0.000	1	116.8865	0.073	2	116.8865	0.073	2	120.7463	6.928	18	122.8715	8.838	126	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]N[6])(C[5a]N[5a]C)	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[6a]N[5a])(N[6]C[6a]C[6])	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]N[6])(C[5a]N[5a]C){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|N<3>,3|H<1>}	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[6a]N[5a])(N[6]C[6a]C[6]){1|C<4>,1|H<1>,7|C<3>}	116.6960	0.000	1	116.8865	0.073	2	116.8865	0.073	2	120.7463	6.928	18	122.8715	8.838	126	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[6,6a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:C[6]-3:N[5a]-3:	C[5a,6](C[6,6a]C[6,6a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]S)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]H)	C[5a,6](C[5a,6]C[6,6a]C[5a])(C[6]C[6,6a]O)(N[5a]C[5a]H)	C[5a,6](C[6,6a]C[6,6a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]S){1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|S<2>,5|C<3>}	C[5a,6](C[5a,6]C[6,6a]C[5a])(C[6]C[6,6a]O)(N[5a]C[5a]H){1|S<2>,4|C<3>}	119.8713	0.056	3	119.8713	0.003	3	119.8713	0.003	3	120.7463	6.928	18	122.8715	8.838	126	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]C[5a]H)	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]N[6a]C[6])(C[6a]C[6a]C)	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[5a]H)(C[6]C[6]O)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]C[5a]H){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]N[6a]C[6])(C[6a]C[6a]C){1|O<1>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[5a]H)(C[6]C[6]O){1|H<1>,1|O<1>,3|C<3>}	124.5600	0.000	1	124.5600	0.000	1	123.2695	3.331	2	120.7463	6.928	18	122.8715	8.838	126	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]N[5a]H)	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]O)	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[6a]N[5a])(C[6]N[6]H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]N[5a]H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]O){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[6a]N[5a])(C[6]N[6]H){1|C<4>,1|H<1>,4|C<3>}	121.9790	0.000	1	121.9790	0.000	1	123.2695	3.331	2	120.7463	6.928	18	122.8715	8.838	126	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:C[6,6a]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[5a,6]C[5a,5a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5a]N[5a,5a]C)	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5a,6](C[5a,5a]N[5a,5a]S[5a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6a]O[6]H)	C[5a,6](C[5a,6]C[5a,5a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5a]N[5a,5a]C){1|O<2>,1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,5a]N[5a,5a]S[5a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6a]O[6]H){7|C<3>}	116.8385	0.619	2	116.4483	0.648	3	116.4483	0.648	3	121.7897	7.788	34	122.8715	8.838	126	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:C[6,6a]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[5a,6]C[5a,5a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5a]N[5a,5a]C)	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5a,6](C[5a,5a]N[5a,5a]S[5a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6a]O[6]H)	C[5a,6](C[5a,6]C[5a,5a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5a]N[5a,5a]C){1|O<2>,1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,5a]N[5a,5a]S[5a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6a]O[6]H){7|C<3>}	115.6680	0.000	1	116.4483	0.648	3	116.4483	0.648	3	121.7897	7.788	34	122.8715	8.838	126	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:C[6,6a]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:N[5a,6]-3:C[6,6]-4:	C[5a,6](C[5a,6]N[5a,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6]H)	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a,6]C[5a,6]B[6])(C[6,6]C[6,6]C[6]C)	C[5a,6](C[5a,6]N[5a,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6]H){1|B<4>,1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a,6]C[5a,6]B[6])(C[6,6]C[6,6]C[6]C){1|N<3>,2|F<1>,2|H<1>,5|C<3>}	122.2940	0.434	4	122.2940	0.189	4	122.2940	0.189	4	121.7897	7.788	34	122.8715	8.838	126	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:C[6,6a]-3:N[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[5a,6]C[5a,5a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,5a]C[6a])	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a,6](C[5a,5a]C[5a,5a]N[5a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]CC)	C[5a,6](C[5a,6]C[5a,5a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,5a]C[6a]){1|C<4>,1|H<1>,1|N<3>,2|C<2>,5|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<2>,2|H<1>,4|C<3>}	C[5a,6](C[5a,5a]C[5a,5a]N[5a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]CC){2|C<2>,6|C<3>}	123.9070	0.000	1	123.9070	0.000	1	123.9070	0.000	1	121.7897	7.788	34	122.8715	8.838	126	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:C[6,6a]-3:N[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]H)	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]H){1|C<2>,1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH){4|C<3>,4|H<1>}	122.9230	0.000	1	122.9230	0.000	1	122.9230	0.000	1	121.7897	7.788	34	122.8715	8.838	126	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:C[6,6a]-3:N[5a]-3:	C[5a,6]-3:N[6,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]N[6,6a]C[6a])(N[5a]C[5a,6a]C)	C[6,6a](C[5a,6]C[5a,6]N[5a])(N[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]N[6,6a]C[6a])(N[5a]C[5a,6a]C){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(N[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH){1|N<3>,3|H<1>,4|C<3>}	122.4860	0.000	1	122.4860	0.000	1	123.5245	2.157	2	121.7897	7.788	34	122.8715	8.838	126	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:C[6,6a]-3:N[5a]-3:	C[5a,6]-3:N[6,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]N[6,6a]C[6a])(N[5a]C[5a,6a]H)	C[6,6a](C[5a,6]C[5a,6]N[5a])(N[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]N[6,6a]C[6a])(N[5a]C[5a,6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(N[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH){1|N<3>,3|C<3>,4|H<1>}	124.5630	0.000	1	124.5630	0.000	1	123.5245	2.157	2	121.7897	7.788	34	122.8715	8.838	126	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])	C[6,6a](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a,6](C[5a,6]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C)(C[6]C[6]HH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6]){2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C)(C[6]C[6]HH){1|H<1>,5|C<3>}	120.1390	0.000	1	120.1390	0.000	1	119.9927	0.043	3	121.7897	7.788	34	122.8715	8.838	126	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])	C[6,6a](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a,6](C[5a,6]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]H)(C[6]C[6]CC)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6]){3|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]H)(C[6]C[6]CC){1|C<4>,1|H<1>,4|C<3>}	119.7550	0.000	1	119.7550	0.000	1	119.9927	0.043	3	121.7897	7.788	34	122.8715	8.838	126	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])	C[6,6a](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a,6](C[5a,6]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]S)(C[6]C[6]HH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6]){1|C<4>,1|S<4>,4|C<3>,4|H<1>}	C[6,6a](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,2|O<2>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]S)(C[6]C[6]HH){2|H<1>,4|C<3>}	120.0840	0.000	1	120.0840	0.000	1	119.9927	0.043	3	121.7897	7.788	34	122.8715	8.838	126	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[5,5a]-3:C[5a,6]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5,5a]N[5,5a]C[5])(C[5a,6]C[5a]C[6])	C[6,6a](C[5a,6]C[5,5a]C[5a,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a,6](C[5a,6]C[5,5a]C[6,6a])(C[5a]N[5,5a]C)(C[6]C[6]HH)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5,5a]N[5,5a]C[5])(C[5a,6]C[5a]C[6]){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[5a,6]C[5,5a]C[5a,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5a,6](C[5a,6]C[5,5a]C[6,6a])(C[5a]N[5,5a]C)(C[6]C[6]HH){2|H<1>,4|C<3>}	121.3710	0.000	1	121.3710	0.000	1	121.3710	0.000	1	121.7897	7.788	34	122.8715	8.838	126	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]N[5a]C)	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]N[5a]C)(C[6]C[6]HH)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]N[5a]C){2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]N[5a]C)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	120.3720	0.000	1	120.3720	0.000	1	120.3720	0.000	1	121.7897	7.788	34	122.8715	8.838	126	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:N[5a,6]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6]C)	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a,6]C[5a,6]C[6])(C[6]C[6a]O[6]H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6]C){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a,6]C[5a,6]C[6])(C[6]C[6a]O[6]H){1|C<4>,2|H<1>,6|C<3>}	117.5865	0.243	2	117.6723	0.052	3	117.6723	0.052	3	121.7897	7.788	34	122.8715	8.838	126	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:N[5a,6]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6]C)	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a,6]C[5a,6]C[6])(C[6]C[6a]O[6]H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6]C){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a,6]C[5a,6]C[6])(C[6]C[6a]O[6]H){1|C<4>,2|H<1>,6|C<3>}	117.8440	0.000	1	117.6723	0.052	3	117.6723	0.052	3	121.7897	7.788	34	122.8715	8.838	126	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]C[5a]C)	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6]O[6]CH)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]C[5a]C){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6]O[6]CH){1|C<4>,5|C<3>}	121.1400	0.000	1	121.1400	0.000	1	124.2822	3.001	9	121.7897	7.788	34	122.8715	8.838	126	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]C[5a]H)	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]C[5a]H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH){1|C<2>,3|H<1>,4|C<3>}	125.0510	0.420	2	125.0510	0.176	2	124.2822	3.001	9	121.7897	7.788	34	122.8715	8.838	126	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]N[5a]C)(C[6]C[6]HH)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a]){2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]N[5a]C)(C[6]C[6]HH){2|H<1>,3|C<3>}	123.8180	0.000	1	123.8180	0.000	1	124.2822	3.001	9	121.7897	7.788	34	122.8715	8.838	126	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]N[5a]C)(C[6]S[6]HH)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a]){1|S<2>,3|H<1>,5|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]N[5a]C)(C[6]S[6]HH){3|C<3>}	125.5605	0.029	2	125.5605	0.001	2	124.2822	3.001	9	121.7897	7.788	34	122.8715	8.838	126	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]N[5a]H)	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[6a]N[5a])(C[6]C[6]HH)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]N[5a]H){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[6a]N[5a])(C[6]C[6]HH){3|H<1>,4|C<3>}	125.3220	0.000	1	125.3220	0.000	1	124.2822	3.001	9	121.7897	7.788	34	122.8715	8.838	126	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]N[5a]H)	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]N[5a]C[6])(C[6]C[6]HH)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]N[5a]H){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]N[5a]C[6])(C[6]C[6]HH){3|H<1>,4|C<3>}	125.3950	0.000	1	125.3950	0.000	1	124.2822	3.001	9	121.7897	7.788	34	122.8715	8.838	126	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]N[5a]S)	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[6a]N[5a])(C[6]O[6]HH)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]N[5a]S){1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|S<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[6a]N[5a])(C[6]O[6]HH){1|S<4>,4|C<3>}	121.6420	0.000	1	121.6420	0.000	1	124.2822	3.001	9	121.7897	7.788	34	122.8715	8.838	126	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[5a,6]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:N[6,6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[6,6a]C[5a,6a]N[6,6a])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[6,6a](C[5a,6a]C[5a,6a]O[5a])(C[5a,6]C[5a,6]N[5a])(N[6,6a]C[6a]C[6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH)	C[5a,6](C[6,6a]C[5a,6a]N[6,6a])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]O[5a])(C[5a,6]C[5a,6]N[5a])(N[6,6a]C[6a]C[6]){1|C<4>,4|H<1>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH){1|N<3>,3|C<3>,4|H<1>}	123.8185	0.073	2	123.8185	0.005	2	123.8185	0.005	2	121.7897	7.788	34	122.8715	8.838	126	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[5a,6]-3:C[5a,6]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[5a,6]C[5a]C[6])	C[6,6a](C[5a,6]C[5a,6]N[5a,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a,6](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a,6]H)(C[6]C[6]HH)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[5a,6]C[5a]C[6]){1|C<4>,1|N<3>,2|F<1>,3|C<3>,4|H<1>}	C[6,6a](C[5a,6]C[5a,6]N[5a,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|B<4>,1|C<4>,3|C<3>,4|H<1>}	C[5a,6](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a,6]H)(C[6]C[6]HH){1|B<4>,2|H<1>,3|C<3>}	121.0865	0.223	2	121.0865	0.050	2	121.8377	1.718	3	121.7897	7.788	34	122.8715	8.838	126	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[5a,6]-3:C[5a,6]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])	C[6,6a](C[5a,6]C[5a,6]N[5a,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a,6](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a,6]H)(C[6]C[6]HH)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6]){2|C<3>,3|C<4>,6|H<1>}	C[6,6a](C[5a,6]C[5a,6]N[5a,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[5a,6](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a,6]H)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	123.3400	0.000	1	123.3400	0.000	1	121.8377	1.718	3	121.7897	7.788	34	122.8715	8.838	126	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:4:	N[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])	C[6,6a](C[5a,6]N[5a,6a]C[5a,6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5a,6](C[5a,6]N[5a,6a]C[6,6a])(C[5a]C[5a,6a]C[6a])(C[6]O[6]HH)	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6]){1|O<2>,4|H<1>,5|C<3>}	C[6,6a](C[5a,6]N[5a,6a]C[5a,6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]N[5a,6a]C[6,6a])(C[5a]C[5a,6a]C[6a])(C[6]O[6]HH){6|C<3>}	122.0220	0.000	1	122.0220	0.000	1	122.0220	0.000	1	121.7897	7.788	34	122.8715	8.838	126	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:4:2:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]O[5a]C[6])	C[6,6a](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5a,6](C[5a,6]C[5a,6a]C[6,6a])(C[6]C[6a]O[6]H)(O[5a]C[5a,6a])	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]O[5a]C[6]){1|O<2>,2|H<1>,6|C<3>}	C[6,6a](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6,6a])(C[6]C[6a]O[6]H)(O[5a]C[5a,6a]){6|C<3>}	115.9670	0.000	1	115.9670	0.000	1	115.9670	0.000	1	121.5530	28.443	3	122.8715	8.838	126	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:4:2:	C[6,6a]-3:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a])	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[6]O[6]HH)(N[5a]N[5a])	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a]){1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[6]O[6]HH)(N[5a]N[5a]){3|C<3>}	122.1010	0.000	1	122.1010	0.000	1	124.3460	10.080	2	121.5530	28.443	3	122.8715	8.838	126	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:4:2:	C[6,6a]-3:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a])	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[6]S[6]HH)(N[5a]N[5a])	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a]){1|S<2>,3|H<1>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[6]S[6]HH)(N[5a]N[5a]){3|C<3>}	126.5910	0.000	1	126.5910	0.000	1	124.3460	10.080	2	121.5530	28.443	3	122.8715	8.838	126	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5,6]-4:C[5a]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])(N[5a]C[5a]C)	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5,6]N[5,6]C[5]H)(C[5a]C[5a]H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])(N[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5,6]N[5,6]C[5]H)(C[5a]C[5a]H){2|C<4>,3|C<3>,3|H<1>}	123.6580	0.000	1	123.6580	0.000	1	124.0100	0.248	2	124.0100	0.248	2	122.8715	8.838	126	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5,6]-4:C[5a]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])(N[5a]C[6a]N[5a])	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5,6]C[5]2C[6])(C[5a]C[6a]N[5a])	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])(N[5a]C[6a]N[5a]){1|H<1>,8|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5,6]C[5]2C[6])(C[5a]C[6a]N[5a]){3|O<1>,7|C<3>}	124.3620	0.000	1	124.3620	0.000	1	124.0100	0.248	2	124.0100	0.248	2	122.8715	8.838	126	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	4:3:3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[3,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[3,6]C[5a])(C[5a]N[5a]H)	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)	C[5a,6](C[3,6]C[3,6]C[6a]C[3])(C[5a,6]C[6,6a]C[5a])(C[5a]N[5a]H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[3,6]C[5a])(C[5a]N[5a]H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5a,6](C[3,6]C[3,6]C[6a]C[3])(C[5a,6]C[6,6a]C[5a])(C[5a]N[5a]H){1|S<4>,3|H<1>,5|C<3>}	122.2700	0.000	1	122.2700	0.000	1	122.2700	0.000	1	122.2700	0.000	1	122.8715	8.838	126	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6,6a]-3:C[6,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[5a,6,6a]C[5a,6,6a]C[6,6a,6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[5a,6a,6a]2)	C[5a,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[6,6a,6a]C[5a,6a,6a]C[6,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])	C[5a,6a,6a](C[5a,6,6a]C[5a,6,6a]C[6,6a,6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[5a,6a,6a]2){9|C<3>}	C[5a,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[6,6a,6a]C[5a,6a,6a]C[6,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a]){1|C<4>,7|C<3>}	122.3065	0.962	2	122.3065	0.926	2	122.3065	0.926	2	122.0028	0.254	17	122.0028	0.254	17	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6,6a]-3:C[5a,6,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5,6,6a]-3:C[5a,6,6]-3:	C[5a,6a,6a](C[5a,6,6a]C[5,6,6a]C[5a,6,6])(C[5a,6,6a]C[5a,6,6]C[6,6,6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5a,6a,6a]C[5a,6,6a]2)(C[5,6a,6a]C[5,6,6a]2)(C[3x6a]C[5,6a,6a]2)	C[5a,6,6a](C[5a,6a,6a]C[5a,6,6a]C[3x6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5a,6,6]C[5a,6,6]C[5,6,6])	C[5a,6a,6a](C[5a,6,6a]C[5,6,6a]C[5a,6,6])(C[5a,6,6a]C[5a,6,6]C[6,6,6a])(C[3x6a]C[5,6a,6a]C[3x6a]){3|C<4>,5|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6,6a]2)(C[5,6a,6a]C[5,6,6a]2)(C[3x6a]C[5,6a,6a]2){9|C<3>}	C[5a,6,6a](C[5a,6a,6a]C[5a,6,6a]C[3x6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5a,6,6]C[5a,6,6]C[5,6,6]){3|C<4>,7|C<3>}	122.0780	0.000	1	122.0780	0.000	1	122.0780	0.000	1	122.0028	0.254	17	122.0028	0.254	17	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6,6a]-3:C[5a,6,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[6,6,6a]-3:C[5a,6,6]-3:	C[5a,6a,6a](C[5a,6,6a]C[5,6,6a]C[5a,6,6])(C[5a,6,6a]C[5a,6,6]C[6,6,6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5a,6a,6a]C[5a,6,6a]2)(C[5,6a,6a]C[5,6,6a]2)(C[3x6a]C[5,6a,6a]2)	C[5a,6,6a](C[5a,6a,6a]C[5a,6,6a]C[3x6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5a,6,6]C[5a,6,6]C[5,6,6])	C[5a,6a,6a](C[5a,6,6a]C[5,6,6a]C[5a,6,6])(C[5a,6,6a]C[5a,6,6]C[6,6,6a])(C[3x6a]C[5,6a,6a]C[3x6a]){3|C<4>,5|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6,6a]2)(C[5,6a,6a]C[5,6,6a]2)(C[3x6a]C[5,6a,6a]2){9|C<3>}	C[5a,6,6a](C[5a,6a,6a]C[5a,6,6a]C[3x6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5a,6,6]C[5a,6,6]C[5,6,6]){2|C<4>,7|C<3>}	121.1820	0.000	1	121.1820	0.000	1	121.1820	0.000	1	122.0028	0.254	17	122.0028	0.254	17	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5a,6,6a]-3:C[5a,6a,6a]-3:C[5,6,6a]-3:	C[5a,6a,6a](C[5a,6,6a]C[5a,6,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5a,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5a,6a,6a](C[5a,6,6a]C[5a,6,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){1|C<4>,7|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2){9|C<3>}	C[5a,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6]){2|C<4>,7|C<3>}	122.2495	0.250	2	122.2495	0.062	2	122.2495	0.062	2	122.0028	0.254	17	122.0028	0.254	17	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5a,6,6a]-3:C[5,6,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[5a,6,6a]C[5a,6,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])	C[5a,6a,6a](C[5a,6,6a]C[5a,6,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){1|C<4>,7|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2){9|C<3>}	C[5a,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a]){2|C<4>,7|C<3>}	121.6815	0.241	2	121.6815	0.058	2	121.6815	0.058	2	122.0028	0.254	17	122.0028	0.254	17	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5a,6,6a]-3:C[5a,6a,6a]-3:C[5,6,6a]-3:	C[5a,6a,6a](C[5a,6,6a]C[5a,6,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5a,6a,6a](C[5a,6,6a]C[5a,6,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2){9|C<3>}	C[5a,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|C<4>,7|C<3>}	122.5765	0.305	2	122.5765	0.093	2	122.5765	0.093	2	122.0028	0.254	17	122.0028	0.254	17	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5a,6,6a]-3:C[5a,6a,6a]-3:C[5,6,6a]-3:	C[5a,6a,6a](C[5a,6,6a]C[5a,6,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5,6a,6a]2)	C[5a,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5a,6a,6a](C[5a,6,6a]C[5a,6,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){1|C<4>,7|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5,6a,6a]2){9|C<3>}	C[5a,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|C<4>,8|C<3>}	121.6180	0.000	1	121.6180	0.000	1	121.8580	0.115	2	122.0028	0.254	17	122.0028	0.254	17	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5a,6,6a]-3:C[5a,6a,6a]-3:C[5,6,6a]-3:	C[5a,6a,6a](C[5a,6,6a]C[5a,6,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])	C[5a,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5a,6a,6a](C[5a,6,6a]C[5a,6,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){1|C<4>,7|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a]){1|C<4>,8|C<3>}	C[5a,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6]){2|C<4>,7|C<3>}	122.0980	0.000	1	122.0980	0.000	1	121.8580	0.115	2	122.0028	0.254	17	122.0028	0.254	17	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6,6a]-3:C[5a,6a,6a]-3:C[5,6,6a]-3:	C[5a,6a,6a](C[5a,6,6a]C[5a,6,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])2(C[3x6a]C[5,6a,6a]2)	C[5a,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5,6,6a]C[5,6a,6a]C[5,4x6])	C[5a,6a,6a](C[5a,6,6a]C[5a,6,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){1|C<4>,7|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])2(C[3x6a]C[5,6a,6a]2){9|C<3>}	C[5a,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5,6,6a]C[5,6a,6a]C[5,4x6]){2|C<4>,7|C<3>}	121.9800	0.000	1	121.9800	0.000	1	121.8888	0.213	5	122.0028	0.254	17	122.0028	0.254	17	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6,6a]-3:C[5a,6a,6a]-3:C[5,6,6a]-3:	C[5a,6a,6a](C[5a,6,6a]C[5a,6,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])2(C[3x6a]C[5,6a,6a]2)	C[5a,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5a,6a,6a](C[5a,6,6a]C[5a,6,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){1|C<4>,7|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])2(C[3x6a]C[5,6a,6a]2){9|C<3>}	C[5a,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6]){2|C<4>,7|C<3>}	121.8660	0.530	4	121.8660	0.281	4	121.8888	0.213	5	122.0028	0.254	17	122.0028	0.254	17	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[3x6a]-3:C[5a,6a,6a]-3:C[5a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6a,6a]-3:	C[3x6a]-3:C[5a,6a,6a]-3:C[5a,6a]-3:	C[5a,6a,6a](C[3x6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a])	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])2(C[6a,6a]C[6a]2)	C[5a,6a,6a](C[3x6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a])	C[5a,6a,6a](C[3x6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a]){1|H<1>,6|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])2(C[6a,6a]C[6a]2){2|H<1>,2|S<2>,5|C<3>}	C[5a,6a,6a](C[3x6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a]){1|H<1>,6|C<3>}	121.5425	0.728	2	121.5425	0.529	2	121.5425	0.529	2	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[5a,6,6a]C[5a,6,6a]C[6,6a,6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6,6a]C[5a,6,6a]C[6,6a,6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[5a,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	121.7915	0.029	2	121.7915	0.001	2	121.7915	0.001	2	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a](C[5a,6,6a]C[5a,6,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5a,6a,6a](C[5a,6,6a]C[5a,6,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){1|C<4>,7|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	121.0115	0.630	2	121.0115	0.397	2	121.0115	0.397	2	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a](C[5a,6,6a]C[5a,6,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[5a,6a,6a](C[5a,6,6a]C[5a,6,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){1|C<4>,7|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	121.4040	0.488	2	120.6718	0.852	4	120.6718	0.852	4	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a](C[5a,6,6a]C[5a,6,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[5a,6a,6a](C[5a,6,6a]C[5a,6,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	119.9395	0.416	2	120.6718	0.852	4	120.6718	0.852	4	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a](C[5a,6,6a]C[5a,6,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5a,6a,6a](C[5a,6,6a]C[5a,6,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){1|C<4>,7|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	121.1290	0.000	1	121.1290	0.000	1	120.8760	0.128	2	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a](C[5a,6,6a]C[5a,6,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5a,6a,6a](C[5a,6,6a]C[5a,6,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){1|C<4>,7|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a]){1|C<4>,8|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	120.6230	0.000	1	120.6230	0.000	1	120.8760	0.128	2	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a](C[5a,6,6a]C[5a,6,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])2(C[3x6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[5a,6a,6a](C[5a,6,6a]C[5a,6,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){1|C<4>,7|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])2(C[3x6a]C[5,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	120.7686	0.359	5	120.7686	0.129	5	120.7686	0.129	5	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[3x6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	121.1590	0.000	1	121.1590	0.000	1	121.1590	0.000	1	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[3x6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[3x6a](C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])2(C[3x6a]C[5,6a,6a]C[3x6a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	C[3x6a](C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])2(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	121.3940	0.000	1	121.3940	0.000	1	121.4415	0.342	10	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[3x6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	121.4468	0.620	9	121.4468	0.384	9	121.4415	0.342	10	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[3x6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[3x6a](C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	C[3x6a](C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	121.6170	0.000	1	121.6170	0.000	1	121.4837	0.606	12	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[3x6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)2	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)2{8|C<3>}	121.5850	0.188	4	121.5850	0.035	4	121.4837	0.606	12	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[3x6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	121.5113	1.096	6	121.5113	1.201	6	121.4837	0.606	12	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[3x6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	120.7790	0.000	1	120.7790	0.000	1	121.4837	0.606	12	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[3x6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[6,6a,6a]C[6,6a,6a]C[5,6,6a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[6,6a,6a]C[6,6a,6a]C[5,6,6a]){8|C<3>}	121.1570	0.000	1	121.1570	0.000	1	121.1570	0.000	1	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[3x6a]-3:C[5a,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)2	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)2{9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	120.8436	0.752	10	120.8436	0.565	10	120.8436	0.565	10	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[3x6a]-3:C[5a,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)2	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)2{9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	120.4530	0.000	1	120.4530	0.000	1	120.4530	0.000	1	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[3x6a]-3:C[5a,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)2	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)2	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)2{9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)2{8|C<3>}	122.0416	1.237	9	122.0416	1.529	9	121.9803	1.260	11	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[3x6a]-3:C[5a,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)2	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)2{9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	121.7045	0.419	2	121.7045	0.176	2	121.9803	1.260	11	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2){1|C<4>,8|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	121.5085	0.062	2	121.5085	0.004	2	121.5085	0.004	2	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	121.5400	1.000	2	121.5400	1.000	2	121.5400	1.000	2	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)2	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2){1|C<4>,8|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)2{8|C<3>}	121.3065	0.131	2	121.3065	0.017	2	120.9195	1.661	4	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	122.0100	0.000	1	122.0100	0.000	1	120.9195	1.661	4	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	119.0550	0.000	1	119.0550	0.000	1	120.9195	1.661	4	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[5a,6a,6a]2){1|C<4>,8|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	120.4005	0.076	2	120.7553	0.381	3	120.7553	0.381	3	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[5a,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	121.4650	0.000	1	120.7553	0.381	3	120.7553	0.381	3	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)2	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[5a,6a,6a]2){1|C<4>,8|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)2{8|C<3>}	120.7730	0.283	2	120.9423	0.126	3	120.9423	0.126	3	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)2	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[5a,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)2{8|C<3>}	121.2810	0.000	1	120.9423	0.126	3	120.9423	0.126	3	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	121.2760	0.628	3	121.2760	0.395	3	121.2760	0.395	3	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	122.0190	0.000	1	122.0190	0.000	1	122.0190	0.000	1	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)2	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)2{8|C<3>}	121.2832	0.116	4	121.2832	0.013	4	121.2832	0.013	4	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5a,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	121.0094	1.014	11	121.0094	1.028	11	121.0094	1.028	11	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5a,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	121.3280	0.000	1	121.3280	0.000	1	121.3280	0.000	1	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)2	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5a,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)2{8|C<3>}	122.3504	1.642	9	122.3504	2.697	9	122.1540	2.121	12	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5a,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	121.7155	0.487	2	121.7155	0.237	2	122.1540	2.121	12	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5a,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	121.2630	0.000	1	121.2630	0.000	1	122.1540	2.121	12	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)2(C[3x6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)2(C[3x6a]C[5a,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	121.2525	0.591	259	121.2525	0.349	259	121.2525	0.349	259	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)2(C[3x6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)2(C[3x6a]C[5a,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	121.0768	0.519	10	121.0768	0.269	10	121.0768	0.269	10	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)2(C[3x6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)2	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)2(C[3x6a]C[5a,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)2{8|C<3>}	121.5213	0.664	267	121.5213	0.441	267	121.5274	0.434	282	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)2(C[3x6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)2(C[3x6a]C[5a,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	121.4714	0.482	5	121.4714	0.233	5	121.5274	0.434	282	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)2(C[3x6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)2(C[3x6a]C[5a,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	121.4806	0.368	8	121.4806	0.135	8	121.5274	0.434	282	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)2	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[5a,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)2{8|C<3>}	122.6730	0.082	2	122.6730	0.007	2	121.5274	0.434	282	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[6,6a,6a]C[5a,6,6a]C[6,6,6a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[5a,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[6,6a,6a]C[5a,6,6a]C[6,6,6a]){1|C<4>,7|C<3>}	120.0390	0.416	2	120.0390	0.173	2	120.0390	0.173	2	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a]-3:	C[5a,6a,6a]-3:C[3x6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a])	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a]){1|H<1>,6|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[6a]2){1|S<2>,2|H<1>,6|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a]){1|H<1>,6|C<3>}	121.5567	0.417	8	121.5469	0.137	10	121.6086	0.165	11	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a]-3:	C[5a,6a,6a]-3:C[3x6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a])	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a]){1|H<1>,6|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[6a]2){2|H<1>,2|S<2>,5|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a]){1|H<1>,6|C<3>}	121.5075	0.084	2	121.5469	0.137	10	121.6086	0.165	11	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a]-3:	C[5a,6a,6a]-3:C[3x6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a])	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[6a]S[6a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a]){1|H<1>,1|S<2>,5|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[6a]S[6a]){1|H<1>,2|S<2>,5|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a]){1|H<1>,1|S<2>,5|C<3>}	122.2260	0.000	1	122.2260	0.000	1	121.6086	0.165	11	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a]-3:	C[5a,6a,6a]-3:C[3x6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a])	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[3x6a]C[5a,6a,6a]C[6a,6a])(C[6a,6a]C[6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a]){1|O<2>,6|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[3x6a]C[5a,6a,6a]C[6a,6a])(C[6a,6a]C[6a]2){1|N<2>,1|O<2>,1|S<2>,6|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a]){1|O<2>,1|S<2>,5|C<3>}	121.3740	0.000	1	121.3740	0.000	1	121.4805	0.023	2	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a]-3:	C[5a,6a,6a]-3:C[3x6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a])	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[3x6a]C[5a,6a,6a]C[6a,6a])(C[6a,6a]C[6a]N[6a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a]){1|N<2>,1|O<2>,5|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[3x6a]C[5a,6a,6a]C[6a,6a])(C[6a,6a]C[6a]N[6a]){1|O<2>,1|S<2>,6|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a]){1|O<2>,1|S<2>,5|C<3>}	121.5870	0.000	1	121.5870	0.000	1	121.4805	0.023	2	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a,6a]C[5a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a]){8|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a,6a]C[5a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	119.5575	0.013	2	119.5575	0.000	2	119.5575	0.000	2	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a]-3:	C[5a,6a,6a]-3:C[6,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[3x6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[3x6a]C[6,6a,6a]C[3x6a])(C[5a,6a]C[6a]N[5a])	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6,6a,6a]C[6,6a]2)(C[3x6a]C[3x6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a]N[5a])(C[3x6a]C[3x6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[3x6a]C[6,6a,6a]C[3x6a])(C[5a,6a]C[6a]N[5a]){1|H<1>,7|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6,6a,6a]C[6,6a]2)(C[3x6a]C[3x6a]2){1|N<3>,8|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a]N[5a])(C[3x6a]C[3x6a]2){1|H<1>,7|C<3>}	121.6570	0.000	1	121.6570	0.000	1	121.6570	0.000	1	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a]-3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[6,6a,6a]-3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[3x6a]C[6,6a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a,6a]C[6,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[3x6a]C[6,6a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[3x6a]C[6,6a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a]){2|H<1>,6|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a,6a]C[6,6a]2){1|H<1>,1|N<3>,7|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[3x6a]C[6,6a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a]){2|H<1>,6|C<3>}	122.0725	0.612	2	122.0725	0.374	2	122.0725	0.374	2	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[3x6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[5,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])2(C[3x6a]C[3x6a]2)	C[3x6a](C[3x6a]C[5,6a,6a]C[3x6a])2(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])2(C[3x6a]C[3x6a]2){8|C<3>}	C[3x6a](C[3x6a]C[5,6a,6a]C[3x6a])2(C[5a,6a,6a]C[5a,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a]){1|C<4>,7|C<3>}	121.3740	0.000	1	121.3740	0.000	1	121.3740	0.000	1	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[3x6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[3x6a]2)	C[3x6a](C[3x6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])2(C[3x6a]C[5,6a,6a]C[3x6a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[3x6a]2){8|C<3>}	C[3x6a](C[3x6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])2(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	121.4020	0.024	2	121.4020	0.001	2	121.4020	0.001	2	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[3x6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[3x6a]2)	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])2(C[5,6a,6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[3x6a]2){8|C<3>}	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])2(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	120.8500	0.000	1	120.8500	0.000	1	121.8004	0.392	7	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[3x6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[3x6a]2)	C[3x6a](C[3x6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[3x6a]2){8|C<3>}	C[3x6a](C[3x6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	121.8620	0.000	1	121.8620	0.000	1	121.8004	0.392	7	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[3x6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[3x6a]2)	C[3x6a](C[3x6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[3x6a]2){8|C<3>}	C[3x6a](C[3x6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	122.4400	0.000	1	122.4400	0.000	1	121.8004	0.392	7	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[3x6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])2(C[3x6a]C[3x6a]2)	C[3x6a](C[3x6a]C[5,6a,6a]C[3x6a])2(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])2(C[3x6a]C[3x6a]2){8|C<3>}	C[3x6a](C[3x6a]C[5,6a,6a]C[3x6a])2(C[5a,6a,6a]C[5a,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	122.5220	0.000	1	122.5220	0.000	1	121.8004	0.392	7	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[3x6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])2(C[3x6a]C[3x6a]2)	C[3x6a](C[3x6a]C[5,6a,6a]C[3x6a])2(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])2(C[5,6a,6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])2(C[3x6a]C[3x6a]2){8|C<3>}	C[3x6a](C[3x6a]C[5,6a,6a]C[3x6a])2(C[5a,6a,6a]C[5a,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])2(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	121.6430	0.470	3	121.6430	0.221	3	121.8004	0.392	7	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[3x6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[3x6a]2)	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[3x6a]2){8|C<3>}	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	122.4700	0.000	1	122.4700	0.000	1	122.4700	0.000	1	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[3x6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])2(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])2(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	121.5750	0.000	1	121.5750	0.000	1	120.7150	3.454	4	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[3x6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	120.4283	2.165	3	120.4283	4.688	3	120.7150	3.454	4	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[3x6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5a,6a,6a]-3:C[5,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	121.2890	0.000	1	121.2890	0.000	1	121.2890	0.000	1	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[3x6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])2(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[3x6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])2(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[3x6a]2){8|C<3>}	121.1300	0.188	2	121.1300	0.035	2	121.5416	0.365	14	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[3x6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])2(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])2(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	122.2640	0.000	1	122.2640	0.000	1	121.5416	0.365	14	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[3x6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	121.7270	0.000	1	121.7270	0.000	1	121.5416	0.365	14	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[3x6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])2(C[3x6a]C[5,6a,6a]C[3x6a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])2(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	121.2920	0.000	1	121.2920	0.000	1	121.5416	0.365	14	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[3x6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	121.5600	0.684	9	121.5600	0.468	9	121.5416	0.365	14	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[3x6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])2(C[5,6a,6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])2(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	120.1800	0.000	1	120.1800	0.000	1	121.1689	1.052	13	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[3x6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	119.5040	0.000	1	119.5040	0.000	1	121.1689	1.052	13	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[3x6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])2(C[5,6a,6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])2(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	120.5060	0.000	1	120.5060	0.000	1	121.1689	1.052	13	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[3x6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	121.5006	0.903	10	121.5006	0.815	10	121.1689	1.052	13	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[3x6a]-3:C[5a,6a,6a]-3:C[5a,6a,6a]-3:	C[5,6a,6a]-3:C[5a,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)2	C[5a,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)2{9|C<3>}	C[5a,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	122.2080	0.000	1	122.2080	0.000	1	122.2080	0.000	1	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[3x6a]-3:C[5a,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)2	C[5a,6a,6a](C[5a,6,6a]C[5a,6,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)2{9|C<3>}	C[5a,6a,6a](C[5a,6,6a]C[5a,6,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	122.1490	0.000	1	122.1490	0.000	1	122.1490	0.000	1	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[3x6a]-3:C[5a,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6,6a]-3:C[5a,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)2	C[5a,6a,6a](C[5a,6,6a]C[5a,6,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)2{9|C<3>}	C[5a,6a,6a](C[5a,6,6a]C[5a,6,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){1|C<4>,7|C<3>}	121.2320	0.000	1	121.2320	0.000	1	121.2320	0.000	1	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[3x6a]-3:C[5a,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)2	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)2{9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	121.5109	0.794	11	121.5109	0.631	11	121.5109	0.631	11	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[3x6a]-3:C[5a,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)2	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)2{9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	122.2660	0.000	1	122.2660	0.000	1	122.2660	0.000	1	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[3x6a]-3:C[5a,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)2	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)2{9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	121.6836	1.256	9	121.6836	1.578	9	121.8031	1.546	10	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[3x6a]-3:C[5a,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)2	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)2{9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	122.8790	0.000	1	122.8790	0.000	1	121.8031	1.546	10	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5a,6,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6,6a]C[5a,6,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2){1|C<4>,8|C<3>}	C[5a,6a,6a](C[5a,6,6a]C[5a,6,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){1|C<4>,7|C<3>}	120.6600	0.000	1	120.6600	0.000	1	120.6600	0.000	1	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5a,6,6a]-3:C[5a,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6,6a]C[5a,6,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2){1|C<4>,8|C<3>}	C[5a,6a,6a](C[5a,6,6a]C[5a,6,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){1|C<4>,7|C<3>}	121.1790	0.000	1	121.1790	0.000	1	121.1790	0.000	1	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2){1|C<4>,8|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	121.0980	0.000	1	121.0980	0.000	1	121.0980	0.000	1	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2){1|C<4>,8|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	121.4260	0.000	1	121.4260	0.000	1	121.4260	0.000	1	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[5,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	120.9250	0.000	1	120.9250	0.000	1	120.9250	0.000	1	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	121.5130	0.000	1	121.3317	0.079	4	121.3317	0.079	4	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[5,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	121.2713	0.310	3	121.3317	0.079	4	121.3317	0.079	4	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[5,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	121.1900	0.000	1	121.1900	0.000	1	121.0563	0.231	6	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	121.5580	0.134	2	121.0296	0.284	5	121.0563	0.231	6	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[5,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	120.6773	0.306	3	121.0296	0.284	5	121.0563	0.231	6	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5a,6,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6,6a]C[5a,6,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])	C[5a,6a,6a](C[5a,6a,6a]C[5,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6,6a]C[5a,6,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a]){1|C<4>,7|C<3>}	121.4060	0.000	1	121.4060	0.000	1	121.4060	0.000	1	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5a,6,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6,6a]C[5a,6,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5a,6a,6a](C[5a,6a,6a]C[5,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6,6a]C[5a,6,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){1|C<4>,7|C<3>}	121.4780	0.261	3	121.4780	0.068	3	121.4780	0.068	3	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5a,6,6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6,6a]C[5a,6,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6,6a]C[5a,6,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,7|C<3>}	121.1300	1.305	2	121.1300	1.704	2	121.1300	1.704	2	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	120.8880	1.533	8	120.8880	2.349	8	120.8880	2.349	8	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a]){1|C<4>,7|C<3>}	121.3560	0.000	1	121.3560	0.000	1	121.3560	0.000	1	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	121.2776	0.626	18	121.2776	0.392	18	121.2776	0.392	18	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	122.1447	0.507	7	122.1447	0.257	7	121.5160	0.458	25	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	121.2715	0.574	18	121.2715	0.329	18	121.5160	0.458	25	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)2(C[3x6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6,6a]C[5a,6,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)2(C[3x6a]C[5a,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6,6a]C[5a,6,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){1|C<4>,7|C<3>}	121.1565	0.606	6	121.2766	0.407	7	121.2766	0.407	7	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)2(C[3x6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6,6a]C[5a,6,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)2(C[3x6a]C[5a,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6,6a]C[5a,6,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	121.9970	0.000	1	121.2766	0.407	7	121.2766	0.407	7	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6,6a]-3:C[5a,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)2(C[3x6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6,6a]C[5a,6,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)2(C[3x6a]C[5a,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6,6a]C[5a,6,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){1|C<4>,7|C<3>}	121.7745	0.307	8	121.7745	0.094	8	121.7745	0.094	8	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)2(C[3x6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)2(C[3x6a]C[5,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	121.1300	0.000	1	121.1300	0.000	1	121.1300	0.000	1	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a,6a]C[5a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a,6a]C[5a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a]){8|C<3>}	123.0145	0.128	2	123.0145	0.016	2	123.0145	0.016	2	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)2(C[3x6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)2(C[3x6a]C[5,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a]){1|C<4>,7|C<3>}	121.3930	0.000	1	121.3255	0.009	2	121.3255	0.009	2	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)2(C[3x6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)2(C[3x6a]C[5,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	121.2580	0.000	1	121.3255	0.009	2	121.3255	0.009	2	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)2(C[3x6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)2(C[3x6a]C[5,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	121.1682	0.595	20	121.1682	0.354	20	121.1682	0.354	20	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)2(C[3x6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)2(C[3x6a]C[5,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	121.6980	0.527	4	121.6980	0.278	4	121.6371	0.288	19	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)2(C[3x6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)2(C[3x6a]C[5,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	121.6758	0.506	13	121.6758	0.256	13	121.6371	0.288	19	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)2(C[3x6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)2(C[3x6a]C[5,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	121.2635	0.984	2	121.2635	0.967	2	121.6371	0.288	19	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a,6a]C[5a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a,6a]C[5a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a]){2|H<1>,6|C<3>}	121.7185	0.216	2	121.7185	0.047	2	121.7185	0.047	2	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[3x6a]C[6a,6a]2)	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6a,6a]C[6a,6a]C[6a])2	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[6a,6a]C[6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[3x6a]C[6a,6a]2){8|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,7|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	122.2875	0.257	2	122.2875	0.066	2	122.2510	0.879	4	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[3x6a]C[6a,6a]2)	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6a,6a]C[6a]2)2	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[6a,6a]C[6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[3x6a]C[6a,6a]2){8|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6a,6a]C[6a]2)2{1|O<1>,3|H<1>,5|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	122.2145	1.602	2	122.2145	2.565	2	122.2510	0.879	4	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[6,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])2(C[3x6a]C[6,6a,6a]C[3x6a])	C[3x6a](C[6,6a,6a]C[5,6,6a]C[6,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])2(C[3x6a]C[6,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[6,6a,6a]C[5,6,6a]C[6,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a]){1|C<4>,7|C<3>}	120.6515	0.960	2	120.6515	0.921	2	120.6515	0.921	2	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[6,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])2(C[3x6a]C[6,6a,6a]C[3x6a])	C[3x6a](C[6,6a,6a]C[5,6,6a]C[6,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])2(C[3x6a]C[6,6a,6a]C[3x6a]){8|C<3>}	C[3x6a](C[6,6a,6a]C[5,6,6a]C[6,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6,6a]2){2|C<4>,6|C<3>}	120.4585	0.416	2	120.4585	0.173	2	120.4585	0.173	2	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[3x6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a]N[5a])(C[3x6a]C[3x6a]2)	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[3x6a]C[6a,6a]C[3x6a])(C[3x6a]C[6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[3x6a]C[6,6a,6a]C[3x6a])(C[5a,6a]C[6a]N[5a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a]N[5a])(C[3x6a]C[3x6a]2){1|H<1>,7|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[3x6a]C[6a,6a]C[3x6a])(C[3x6a]C[6a,6a]2){1|N<3>,8|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[3x6a]C[6,6a,6a]C[3x6a])(C[5a,6a]C[6a]N[5a]){1|H<1>,7|C<3>}	121.8760	0.000	1	121.8760	0.000	1	121.8760	0.000	1	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[3x6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a]N[5a])(C[3x6a]C[6a,6a]2)	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a]N[5a])(C[3x6a]C[6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a]N[5a])(C[3x6a]C[6a,6a]2){1|H<1>,7|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2){1|N<3>,2|H<1>,6|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a]N[5a])(C[3x6a]C[6a,6a]2){1|H<1>,7|C<3>}	123.8155	0.688	2	123.8155	0.473	2	122.3362	1.539	6	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[3x6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a])(C[3x6a]C[6a,6a]2)	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a])(C[3x6a]C[6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a])(C[3x6a]C[6a,6a]2){1|H<1>,6|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2){1|N<3>,1|S<2>,2|H<1>,5|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a])(C[3x6a]C[6a,6a]2){1|H<1>,6|C<3>}	121.5900	0.767	2	121.5965	0.219	4	122.3362	1.539	6	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[3x6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a])(C[3x6a]C[6a,6a]2)	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a])(C[3x6a]C[6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a])(C[3x6a]C[6a,6a]2){1|H<1>,6|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2){1|S<2>,3|H<1>,5|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a])(C[3x6a]C[6a,6a]2){1|H<1>,6|C<3>}	121.6030	0.264	2	121.5965	0.219	4	122.3362	1.539	6	121.3968	0.542	897	121.3968	0.542	897	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a]	3:3:3:	3:3:3:	3:2:3:	C[3x6a]-3:C[5a,6a,6a]-3:C[5a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a,6a](C[3x6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a])	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])2(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a,6a](C[3x6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a]){1|H<1>,6|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])2(C[6a,6a]C[6a]2){2|H<1>,2|S<2>,5|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	123.3935	0.388	2	123.3935	0.151	2	123.3935	0.151	2	123.9560	0.168	19	123.8267	3.135	62	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a]-3:	C[5a,6a,6a]-3:C[3x6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a])	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[3x6a]C[5a,6a,6a]C[6a,6a])(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(S[5a]C[5a,6a])(C[6a]C[6a]O)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a]){1|O<2>,6|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[3x6a]C[5a,6a,6a]C[6a,6a])(C[6a,6a]C[6a]2){1|N<2>,1|O<2>,1|S<2>,6|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(S[5a]C[5a,6a])(C[6a]C[6a]O){1|O<2>,4|C<3>}	124.3420	0.000	1	124.3420	0.000	1	123.9198	0.131	13	123.9560	0.168	19	123.8267	3.135	62	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a]-3:	C[5a,6a,6a]-3:C[3x6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a])	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[3x6a]C[5a,6a,6a]C[6a,6a])(C[6a,6a]C[6a]N[6a])	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(S[5a]C[5a,6a])(C[6a]C[6a]O)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a]){1|N<2>,1|O<2>,5|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[3x6a]C[5a,6a,6a]C[6a,6a])(C[6a,6a]C[6a]N[6a]){1|O<2>,1|S<2>,6|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(S[5a]C[5a,6a])(C[6a]C[6a]O){1|O<2>,4|C<3>}	124.0900	0.000	1	124.0900	0.000	1	123.9198	0.131	13	123.9560	0.168	19	123.8267	3.135	62	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a]-3:	C[5a,6a,6a]-3:C[3x6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a])	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a]){1|H<1>,6|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[6a]2){1|S<2>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	123.7120	0.290	8	123.8428	0.142	10	123.9198	0.131	13	123.9560	0.168	19	123.8267	3.135	62	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a]-3:	C[5a,6a,6a]-3:C[3x6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a])	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a]){1|H<1>,6|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[6a]2){2|H<1>,2|S<2>,5|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	124.3660	0.071	2	123.8428	0.142	10	123.9198	0.131	13	123.9560	0.168	19	123.8267	3.135	62	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a]-3:	C[5a,6a,6a]-3:C[3x6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a])	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[6a]S[6a])	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a]){1|H<1>,1|S<2>,5|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[6a]S[6a]){1|H<1>,2|S<2>,5|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	124.0970	0.000	1	124.0970	0.000	1	123.9198	0.131	13	123.9560	0.168	19	123.8267	3.135	62	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a])(C[3x6a]C[6a,6a]2)	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a])(C[3x6a]C[6a,6a]2){1|H<1>,6|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2){1|N<3>,1|S<2>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|N<3>,4|C<3>}	124.3315	0.067	2	124.3550	0.006	4	124.3550	0.006	4	123.9560	0.168	19	123.8267	3.135	62	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a])(C[3x6a]C[6a,6a]2)	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a])(C[3x6a]C[6a,6a]2){1|H<1>,6|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2){1|S<2>,3|H<1>,5|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	124.3785	0.104	2	124.3550	0.006	4	124.3550	0.006	4	123.9560	0.168	19	123.8267	3.135	62	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[3x6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a,6a]-3:C[3x6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]S[5a])	C[3x6a](C[5a,6a,6a]C[5a,6a]2)(C[3x6a]C[6a,6a]2)(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[6a]C[6a,6a]H)(S[5a]C[5a])	C[5a,6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]S[5a]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a]2)(C[3x6a]C[6a,6a]2)(C[6a,6a]C[6a]2){1|H<1>,2|S<2>,6|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[6a]C[6a,6a]H)(S[5a]C[5a]){1|N<2>,4|C<3>}	119.1390	0.000	1	119.1390	0.000	1	119.1390	0.000	1	120.1587	0.466	7	123.8267	3.135	62	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[3x6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5a,6a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a,6a](C[3x6a]C[5,6a,6a]2)(C[5a,6a]C[6a]S[5a])2	C[3x6a](C[5a,6a,6a]C[5a,6a]2)(C[5,6a,6a]C[5,6a]2)2	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[6a]C[5,6a]H)(S[5a]S[5a])	C[5a,6a,6a](C[3x6a]C[5,6a,6a]2)(C[5a,6a]C[6a]S[5a])2{2|H<1>,4|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a]2)(C[5,6a,6a]C[5,6a]2)2{3|C<3>,6|S<2>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[6a]C[5,6a]H)(S[5a]S[5a]){1|S<2>,3|C<3>}	119.6725	0.165	2	119.6725	0.027	2	119.6725	0.027	2	120.1587	0.466	7	123.8267	3.135	62	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a,6a](C[5a,6a]C[6a]S[5a])2(C[3x6a]C[6a,6a]2)	C[3x6a](C[5a,6a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)2	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[6a]C[6a]H)(S[5a]S[5a])	C[5a,6a,6a](C[5a,6a]C[6a]S[5a])2(C[3x6a]C[6a,6a]2){2|H<1>,4|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)2{2|S<2>,3|C<3>,4|H<1>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[6a]C[6a]H)(S[5a]S[5a]){1|H<1>,3|C<3>}	120.6568	0.298	4	120.6568	0.089	4	120.6568	0.089	4	120.1587	0.466	7	123.8267	3.135	62	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[3x6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a,6a]-3:C[3x6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]S[5a])	C[3x6a](C[5a,6a,6a]C[5a,6a]2)(C[3x6a]C[6a,6a]2)(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a]S[5a]N)(C[6a]C[6a]C)	C[5a,6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]S[5a]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a]2)(C[3x6a]C[6a,6a]2)(C[6a,6a]C[6a]2){1|H<1>,2|S<2>,6|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a]S[5a]N)(C[6a]C[6a]C){1|H<1>,3|C<3>}	124.2650	0.000	1	124.2650	0.000	1	124.2650	0.000	1	124.4717	2.169	36	123.8267	3.135	62	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[6a,6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a]){8|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[6a,6a]2){9|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|H<1>,8|C<3>}	124.1540	1.194	2	124.1540	1.425	2	124.1540	1.425	2	124.4717	2.169	36	123.8267	3.135	62	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a]-3:	C[5a,6a,6a]-3:C[6,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[3x6a]C[6,6a,6a]C[3x6a])(C[5a,6a]C[6a]N[5a])	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6,6a,6a]C[6,6a]2)(C[3x6a]C[3x6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6,6a]H)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[3x6a]C[6,6a,6a]C[3x6a])(C[5a,6a]C[6a]N[5a]){1|H<1>,7|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6,6a,6a]C[6,6a]2)(C[3x6a]C[3x6a]2){1|N<3>,8|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6,6a]H){7|C<3>}	127.0020	0.000	1	127.0020	0.000	1	127.0020	0.000	1	124.4717	2.169	36	123.8267	3.135	62	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a]-3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[6,6a,6a]-3:	C[5a,6a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[3x6a]C[6,6a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a,6a]C[6,6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(N[5a]C[5a,6a]H)(C[6a]C[6,6a]H)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[3x6a]C[6,6a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a]){2|H<1>,6|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a,6a]C[6,6a]2){1|H<1>,1|N<3>,7|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(N[5a]C[5a,6a]H)(C[6a]C[6,6a]H){5|C<3>}	128.4935	0.312	2	128.4935	0.097	2	128.4935	0.097	2	124.4717	2.169	36	123.8267	3.135	62	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[3x6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a]N[5a])(C[3x6a]C[3x6a]2)	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[3x6a]C[6a,6a]C[3x6a])(C[3x6a]C[6a,6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a]N[5a])(C[3x6a]C[3x6a]2){1|H<1>,7|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[3x6a]C[6a,6a]C[3x6a])(C[3x6a]C[6a,6a]2){1|N<3>,8|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H){7|C<3>}	127.0280	0.000	1	127.0280	0.000	1	127.0280	0.000	1	124.4717	2.169	36	123.8267	3.135	62	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a]N[5a])(C[3x6a]C[6a,6a]2)	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a]N[5a])(C[3x6a]C[6a,6a]2){1|H<1>,7|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2){1|N<3>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){7|C<3>}	126.7210	0.503	2	126.7210	0.253	2	126.7210	0.253	2	124.4717	2.169	36	123.8267	3.135	62	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a])2(C[3x6a]C[6a,6a]2)	C[3x6a](C[5a,6a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)2	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a])2(C[3x6a]C[6a,6a]2){2|H<1>,6|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)2{1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,5|C<3>}	123.1415	0.216	4	123.2238	0.068	6	123.2238	0.068	6	124.4717	2.169	36	123.8267	3.135	62	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a])2(C[3x6a]C[6a,6a]2)	C[3x6a](C[5a,6a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)2	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a])2(C[3x6a]C[6a,6a]2){2|H<1>,6|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)2{4|H<1>,5|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	123.3885	0.346	2	123.2238	0.068	6	123.2238	0.068	6	124.4717	2.169	36	123.8267	3.135	62	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[3x6a]-3:	C[6a,6a]-3:C[5a,6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[3x6a]C[6a,6a]2)	C[3x6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[3x6a]C[6a,6a]2){1|H<1>,7|C<3>}	C[3x6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2){3|H<1>,6|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,8|C<3>}	124.8840	0.000	1	124.8840	0.000	1	124.8840	0.000	1	124.4717	2.169	36	123.8267	3.135	62	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[3x6a]-3:	C[6a,6a]-3:C[5a,6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[3x6a]C[6a,6a]2)	C[3x6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[3x6a]C[6a,6a]2){1|H<1>,7|C<3>}	C[3x6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2){3|H<1>,6|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	122.3120	0.000	1	122.3120	0.000	1	122.3120	0.000	1	124.4717	2.169	36	123.8267	3.135	62	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[3x6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[3x6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a])2(C[3x6a]C[6a,6a]2)	C[3x6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a,6a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a])2(C[3x6a]C[6a,6a]2){2|H<1>,6|C<3>}	C[3x6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a,6a,6a]C[5a,6a]2){2|H<1>,7|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	124.0743	0.233	19	124.0743	0.054	19	124.0743	0.054	19	124.4717	2.169	36	123.8267	3.135	62	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6,6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6,6a,6a]-3:	C[5a,6,6a]-3:C[6,6,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[6,6a,6a]C[5a,6,6a]C[6,6,6a])	C[6,6a,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[6,6a,6a]C[5a,6,6a]C[6,6,6a]){1|C<4>,7|C<3>}	C[6,6a,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5a,6a,6a]C[5a,6a,6a]2){2|C<4>,8|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	122.8630	0.330	2	122.8630	0.109	2	122.8630	0.109	2	121.3538	1.851	47	121.3538	1.851	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6,6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6,6a,6a]-3:	C[5a,6,6a]-3:C[6,6,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[5,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[6,6a,6a]C[5a,6,6a]C[6,6,6a])	C[6,6a,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[6,6a,6a]C[5a,6,6a]C[6,6,6a]){1|C<4>,7|C<3>}	C[6,6a,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5a,6a,6a]C[5a,6a,6a]2){2|C<4>,8|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2){1|C<4>,7|C<3>}	120.8225	1.206	2	120.8225	1.454	2	120.8225	1.454	2	121.3538	1.851	47	121.3538	1.851	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6,6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6,6a,6a]-3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[6,6a,6a]C[6,6a,6a]C[5,6,6a])	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[6,6a,6a]C[6,6a,6a]C[5,6,6a]){8|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5a,6a,6a]C[5a,6a,6a]2){1|C<4>,8|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	120.9510	0.000	1	120.9510	0.000	1	120.9510	0.000	1	121.3538	1.851	47	121.3538	1.851	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6,6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6,6a,6a]-3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[6,6a,6a]C[6,6a,6a]C[5,6,6a])	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[6,6a,6a]C[6,6a,6a]C[5,6,6a]){8|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5a,6a,6a]C[5a,6a,6a]2){1|C<4>,8|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	121.9460	0.000	1	121.9460	0.000	1	121.9460	0.000	1	121.3538	1.851	47	121.3538	1.851	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6,6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6,6a,6a]-3:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6,6a]C[6,6])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a]){1|C<4>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6,6a]C[6,6])(C[5a,6a,6a]C[5a,6a,6a]2){1|C<4>,9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	121.9390	0.000	1	121.9390	0.000	1	122.4027	0.196	3	121.3538	1.851	47	121.3538	1.851	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6,6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6,6a,6a]-3:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[6,6,6a]C[6,6,6a]C[6,6])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a]){1|C<4>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[6,6,6a]C[6,6,6a]C[6,6])(C[5a,6a,6a]C[5a,6a,6a]2){1|C<4>,1|N<2>,8|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	122.8210	0.000	1	122.6345	0.070	2	122.4027	0.196	3	121.3538	1.851	47	121.3538	1.851	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6,6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6,6a,6a]-3:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[6,6,6a]C[6,6,6a]C[6,6])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a]){1|C<4>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[6,6,6a]C[6,6,6a]C[6,6])(C[5a,6a,6a]C[5a,6a,6a]2){1|C<4>,1|N<3>,8|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	122.4480	0.000	1	122.6345	0.070	2	122.4027	0.196	3	121.3538	1.851	47	121.3538	1.851	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6,6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6,6a,6a]-3:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6,6a]C[6,6])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a]){1|C<4>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6,6a]C[6,6])(C[5a,6a,6a]C[5a,6a,6a]2){1|C<4>,9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a]){1|C<4>,7|C<3>}	119.4590	0.000	1	119.4590	0.000	1	119.5610	0.021	2	121.3538	1.851	47	121.3538	1.851	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6,6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6,6a,6a]-3:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[6,6,6a]C[6,6,6a]C[6,6])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a]){1|C<4>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[6,6,6a]C[6,6,6a]C[6,6])(C[5a,6a,6a]C[5a,6a,6a]2){1|C<4>,1|N<2>,8|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a]){1|C<4>,7|C<3>}	119.6630	0.000	1	119.6630	0.000	1	119.5610	0.021	2	121.3538	1.851	47	121.3538	1.851	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6,6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6,6a,6a]-3:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[6,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[6,6,6a]C[6,6,6a]C[6,6])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a]){1|C<4>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[6,6,6a]C[6,6,6a]C[6,6])(C[5a,6a,6a]C[5a,6a,6a]2){1|C<4>,1|N<3>,8|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2){1|C<4>,7|C<3>}	119.3810	0.000	1	119.3810	0.000	1	119.3810	0.000	1	121.3538	1.851	47	121.3538	1.851	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6,6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6,6a,6a]-3:	C[6,6a,6a]-3:C[6,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a,6a]C[6,6a,6a]2)	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6,6a])(C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a,6a]C[6,6a,6a]2){8|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6,6a])(C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2){1|C<4>,8|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	121.8270	0.000	1	121.8270	0.000	1	122.0061	0.221	9	121.3538	1.851	47	121.3538	1.851	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6,6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6,6a,6a]-3:	C[6,6a,6a]-3:C[6,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])2(C[6,6a,6a]C[6,6a,6a]2)	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])2(C[6,6a,6a]C[6,6a,6a]2){8|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2){1|C<4>,8|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a]){1|C<4>,7|C<3>}	121.9330	0.426	2	121.9330	0.181	2	122.0061	0.221	9	121.3538	1.851	47	121.3538	1.851	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6,6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6,6a,6a]-3:	C[6,6a,6a]-3:C[6,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])2(C[6,6a,6a]C[6,6a,6a]2)	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])2(C[6,6a,6a]C[6,6a,6a]2){8|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2){1|C<4>,8|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	121.7480	0.472	2	121.7480	0.223	2	122.0061	0.221	9	121.3538	1.851	47	121.3538	1.851	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6,6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6,6a,6a]-3:	C[6,6a,6a]-3:C[6,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])2(C[6,6a,6a]C[6,6a,6a]2)	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])2(C[6,6a,6a]C[6,6a,6a]2){8|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2){1|C<4>,8|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	122.5690	0.716	2	122.5690	0.512	2	122.0061	0.221	9	121.3538	1.851	47	121.3538	1.851	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6,6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6,6a,6a]-3:	C[6,6a,6a]-3:C[6,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])2(C[6,6a,6a]C[6,6a,6a]2)	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])2(C[6,6a,6a]C[6,6a,6a]2){8|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[5a,6a,6a]C[5a,6a,6a]2){1|C<4>,8|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	121.8640	0.011	2	121.8640	0.000	2	122.0061	0.221	9	121.3538	1.851	47	121.3538	1.851	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6,6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6,6a,6a]-3:	C[6,6a,6a]-3:C[6,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)2(C[6,6a,6a]C[6,6a,6a]2)	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a])2(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)2	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)2(C[6,6a,6a]C[6,6a,6a]2){8|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a])2(C[5a,6a,6a]C[5a,6a,6a]2){1|C<4>,8|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)2{8|C<3>}	121.5120	0.260	2	121.5120	0.068	2	121.7077	0.149	3	121.3538	1.851	47	121.3538	1.851	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6,6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6,6a,6a]-3:	C[6,6a,6a]-3:C[6,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a,6a]C[6,6a,6a]2)	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6,6a])(C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a,6a]C[6,6a,6a]2){8|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6,6a])(C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2){1|C<4>,8|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	122.0990	0.000	1	122.0990	0.000	1	121.7077	0.149	3	121.3538	1.851	47	121.3538	1.851	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6,6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6,6a,6a]-3:	C[5a,6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[5a,6a,6a]-3:C[5,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6,6a,6a]C[6,6a]2)	C[6,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6,6a]C[5,6a]C[6])(C[6,6a]C[6a]C[6])	C[5a,6a,6a](C[5a,6a,6a]C[6,6a,6a]C[5a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5a,6a,6a]C[5a,6a]C[6a,6a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6,6a,6a]C[6,6a]2){1|H<1>,2|C<4>,5|C<3>}	C[6,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6,6a]C[5,6a]C[6])(C[6,6a]C[6a]C[6]){3|H<1>,4|C<3>,4|C<4>}	C[5a,6a,6a](C[5a,6a,6a]C[6,6a,6a]C[5a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5a,6a,6a]C[5a,6a]C[6a,6a]){1|C<4>,7|C<3>}	119.1240	0.000	1	119.1240	0.000	1	119.1240	0.000	1	121.3538	1.851	47	121.3538	1.851	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6,6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[6,6a,6a]-3:C[5a,6a,6a]-3:	C[6,6a,6a]-3:C[5a,6a,6a]-3:C[6,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[5a,6a]C[6,6])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[5a,6a,6a]C[5a,6a,6a]2){1|C<4>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[5a,6a]C[6,6]){10|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	122.9850	0.000	1	122.9850	0.000	1	123.0440	0.007	2	121.3538	1.851	47	121.3538	1.851	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6,6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[6,6a,6a]-3:C[5a,6a,6a]-3:	C[6,6a,6a]-3:C[5a,6a,6a]-3:C[6,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[5a,6a]Se[6])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[5a,6a,6a]C[5a,6a,6a]2){1|Se<2>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[5a,6a]Se[6]){8|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	123.1030	0.000	1	123.1030	0.000	1	123.0440	0.007	2	121.3538	1.851	47	121.3538	1.851	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6,6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[6,6a,6a]-3:C[5a,6a,6a]-3:	C[6,6a,6a]-3:C[5a,6a,6a]-3:C[6,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[5a,6a]C[6,6])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[5a,6a,6a]C[5a,6a,6a]2){1|C<4>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[5a,6a]C[6,6]){10|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	120.3960	0.000	1	120.3960	0.000	1	121.7135	1.881	4	121.3538	1.851	47	121.3538	1.851	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6,6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[6,6a,6a]-3:C[5a,6a,6a]-3:	C[6,6a,6a]-3:C[5a,6a,6a]-3:C[6,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[5a,6a]Se[6])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[5a,6a,6a]C[5a,6a,6a]2){1|Se<2>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[5a,6a]Se[6]){8|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	120.6930	0.000	1	120.6930	0.000	1	121.7135	1.881	4	121.3538	1.851	47	121.3538	1.851	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6,6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[6,6a,6a]-3:C[5a,6a,6a]-3:	C[6,6a,6a]-3:C[5a,6a,6a]-3:C[6,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[6,6a]C[6])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)2	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[5a,6a,6a]C[5a,6a,6a]2){1|C<4>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[6,6a]C[6]){2|C<4>,8|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)2{8|C<3>}	122.6250	0.000	1	122.6250	0.000	1	121.7135	1.881	4	121.3538	1.851	47	121.3538	1.851	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6,6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[6,6a,6a]-3:C[5a,6a,6a]-3:	C[6,6a,6a]-3:C[5a,6a,6a]-3:C[6,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[6,6a]C[6])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)2	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[5a,6a,6a]C[5a,6a,6a]2){1|C<4>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[6,6a]C[6]){2|C<4>,8|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)2{8|C<3>}	123.1400	0.000	1	123.1400	0.000	1	121.7135	1.881	4	121.3538	1.851	47	121.3538	1.851	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6,6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[6,6a,6a]-3:C[5a,6a,6a]-3:	C[6,6a,6a]-3:C[5a,6a,6a]-3:C[6,6a]-3:	C[5a,6a,6a]-3:C[6,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[6,6a]C[6])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[5a,6a,6a]C[5a,6a,6a]2){1|C<4>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[6,6a]C[6]){2|C<4>,8|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[5a,6a,6a]C[5a,6a,6a]2){1|C<4>,7|C<3>}	119.0040	0.000	1	119.0040	0.000	1	118.7795	0.101	2	121.3538	1.851	47	121.3538	1.851	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6,6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[6,6a,6a]-3:C[5a,6a,6a]-3:	C[6,6a,6a]-3:C[5a,6a,6a]-3:C[6,6a]-3:	C[5a,6a,6a]-3:C[6,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[6,6a]C[6])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[5a,6a,6a]C[5a,6a,6a]2){1|C<4>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[6,6a]C[6]){2|C<4>,8|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[5a,6a,6a]C[5a,6a,6a]2){1|C<4>,7|C<3>}	118.5550	0.000	1	118.5550	0.000	1	118.7795	0.101	2	121.3538	1.851	47	121.3538	1.851	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6,6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[6,6a,6a]-3:C[5a,6a,6a]-3:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[5,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2){1|C<4>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6])(C[5a,6a,6a]C[5a,6a,6a]2){1|H<1>,2|C<4>,7|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2){1|C<4>,7|C<3>}	121.0500	0.000	1	121.0500	0.000	1	121.0500	0.000	1	121.3538	1.851	47	121.3538	1.851	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6,6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[6,6a,6a]-3:C[5a,6a,6a]-3:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)2	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2){1|C<4>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6])(C[5a,6a,6a]C[5a,6a,6a]2){1|H<1>,2|C<4>,7|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)2{8|C<3>}	121.1610	0.000	1	121.1610	0.000	1	122.1333	0.479	4	121.3538	1.851	47	121.3538	1.851	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6,6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[6,6a,6a]-3:C[5a,6a,6a]-3:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6,6a]C[6,6])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)2	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2){1|C<4>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6,6a]C[6,6])(C[5a,6a,6a]C[5a,6a,6a]2){2|C<4>,8|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)2{8|C<3>}	122.2890	0.088	2	122.2890	0.008	2	122.1333	0.479	4	121.3538	1.851	47	121.3538	1.851	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6,6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[6,6a,6a]-3:C[5a,6a,6a]-3:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2){1|C<4>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a,6a]C[5a,6a,6a]2){2|C<4>,8|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	122.7940	0.000	1	122.7940	0.000	1	122.1333	0.479	4	121.3538	1.851	47	121.3538	1.851	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6,6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[6,6a,6a]-3:C[5a,6a,6a]-3:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2){1|C<4>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a,6a]C[5a,6a,6a]2){2|C<4>,8|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a]){1|C<4>,7|C<3>}	120.2720	0.000	1	120.2720	0.000	1	120.2720	0.000	1	121.3538	1.851	47	121.3538	1.851	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6,6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[6,6a,6a]-3:C[5a,6a,6a]-3:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[6,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6,6a]C[6,6])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2){1|C<4>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6,6a]C[6,6])(C[5a,6a,6a]C[5a,6a,6a]2){2|C<4>,8|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2){1|C<4>,7|C<3>}	118.9175	0.216	2	118.9175	0.047	2	118.9175	0.047	2	121.3538	1.851	47	121.3538	1.851	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6,6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:C[5a,6a,6a]-3:C[5a,6a,6a]-3:	C[6,6a,6a]-3:C[5a,6a,6a]-3:C[6,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)2	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[5a,6a]C[6])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)2	C[5a,6a,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)2{1|C<4>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[5a,6a]C[6]){1|C<4>,9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)2{8|C<3>}	122.8810	0.000	1	122.8810	0.000	1	120.9537	3.166	4	121.3538	1.851	47	121.3538	1.851	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6,6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:C[5a,6a,6a]-3:C[5a,6a,6a]-3:	C[6,6a,6a]-3:C[5a,6a,6a]-3:C[6,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)2	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[5a,6a]C[6])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)2{1|C<4>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[5a,6a]C[6]){1|C<4>,9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	119.4180	0.000	1	119.4180	0.000	1	120.9537	3.166	4	121.3538	1.851	47	121.3538	1.851	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6,6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:C[5a,6a,6a]-3:C[5a,6a,6a]-3:	C[6,6a,6a]-3:C[5a,6a,6a]-3:C[6,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)2	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[5a,6a]C[6])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)2	C[5a,6a,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)2{8|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[5a,6a]C[6]){1|C<4>,1|O<1>,7|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)2{8|C<3>}	122.0520	0.000	1	122.0520	0.000	1	120.9537	3.166	4	121.3538	1.851	47	121.3538	1.851	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6,6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:C[5a,6a,6a]-3:C[5a,6a,6a]-3:	C[6,6a,6a]-3:C[5a,6a,6a]-3:C[6,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)2	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[5a,6a]C[6])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)2{8|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[5a,6a]C[6]){1|C<4>,1|O<1>,7|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	119.4640	0.000	1	119.4640	0.000	1	120.9537	3.166	4	121.3538	1.851	47	121.3538	1.851	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6,6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:C[5a,6a,6a]-3:C[5a,6a,6a]-3:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)2	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6,6a])(C[6,6,6a]C[5a,6,6a]C[6,6])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)2{1|C<4>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6,6a])(C[6,6,6a]C[5a,6,6a]C[6,6])(C[5a,6a,6a]C[5a,6a,6a]2){1|C<4>,1|H<1>,8|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	121.8390	0.000	1	121.8390	0.000	1	121.6705	0.057	2	121.3538	1.851	47	121.3538	1.851	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6,6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:C[5a,6a,6a]-3:C[5a,6a,6a]-3:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)2	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6,6a])(C[6,6,6a]C[5a,6,6a]C[6,6])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)2	C[5a,6a,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)2{1|C<4>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6,6a])(C[6,6,6a]C[5a,6,6a]C[6,6])(C[5a,6a,6a]C[5a,6a,6a]2){1|C<4>,1|H<1>,8|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)2{8|C<3>}	121.5020	0.000	1	121.5020	0.000	1	121.6705	0.057	2	121.3538	1.851	47	121.3538	1.851	47	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6,6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6,6a,6a]-3:	C[5a,6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6,6a,6a]C[6,6a]2)	C[6,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6,6a]C[5,6a]C[6])(C[6,6a]C[6a]C[6])	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6,6a,6a]C[6,6a]2){1|H<1>,2|C<4>,5|C<3>}	C[6,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6,6a]C[5,6a]C[6])(C[6,6a]C[6a]C[6]){3|H<1>,4|C<3>,4|C<4>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	129.1860	0.000	1	129.1860	0.000	1	129.1860	0.000	1	126.3775	15.775	2	126.3775	15.775	2	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6,6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:N[5a,6a]-3:C[5a,6a]-3:	B[6,6,6a]-3:C[5a,6a,6a]-3:C[6,6a]-3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a,6a](C[6,6a,6a]B[6,6,6a]C[6,6a])(N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[6,6a,6a](B[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5a,6a,6a]C[5a,6a]N[5a,6a])(C[6,6a]C[6a]C[6])	C[5a,6a](C[5a,6a,6a]C[6,6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a,6a](C[6,6a,6a]B[6,6,6a]C[6,6a])(N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	C[6,6a,6a](B[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5a,6a,6a]C[5a,6a]N[5a,6a])(C[6,6a]C[6a]C[6]){1|H<1>,2|C<4>,7|C<3>}	C[5a,6a](C[5a,6a,6a]C[6,6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|B<3>,2|H<1>,4|C<3>}	123.5690	0.000	1	123.5690	0.000	1	123.5690	0.000	1	126.3775	15.775	2	126.3775	15.775	2	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[6a,6a]C[5,6a]C[6a])	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[6a,6a]C[6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[6a,6a]C[5,6a]C[6a]){1|H<1>,7|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	122.6290	0.000	1	122.6290	0.000	1	122.6963	0.289	8	122.5781	1.520	119	122.5781	1.520	119	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[6a,6a]C[5,6a]C[6a])	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6a,6a]C[6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[6a,6a]C[5,6a]C[6a]){1|H<1>,7|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	123.1680	0.000	1	123.1680	0.000	1	122.6963	0.289	8	122.5781	1.520	119	122.5781	1.520	119	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[6a,6a]C[5,6a]C[6a])	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[6a,6a]C[5,6a]C[6a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[6a,6a]C[5,6a]C[6a]){1|H<1>,7|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[6a,6a]C[5,6a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	123.1620	0.757	2	123.1620	0.572	2	122.6963	0.289	8	122.5781	1.520	119	122.5781	1.520	119	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[6a,6a]C[5,6a]C[6a])	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[6a,6a]C[6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[6a,6a]C[5,6a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[6a,6a]C[6a]2){1|C<4>,1|H<1>,6|C<3>}	122.4540	0.000	1	122.4540	0.000	1	122.6963	0.289	8	122.5781	1.520	119	122.5781	1.520	119	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[6a,6a]C[5,6a]C[6a])	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6a,6a]C[6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[6a,6a]C[5,6a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6a,6a]C[6a]2){1|C<4>,1|H<1>,6|C<3>}	122.6670	0.000	1	122.6670	0.000	1	122.6963	0.289	8	122.5781	1.520	119	122.5781	1.520	119	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[6a,6a]C[5,6a]C[6a])	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[6a,6a]C[5,6a]C[6a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[6a,6a]C[5,6a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[6a,6a]C[5,6a]C[6a]){1|H<1>,7|C<3>}	122.1640	0.403	2	122.1640	0.162	2	122.6963	0.289	8	122.5781	1.520	119	122.5781	1.520	119	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[6a,6a]C[5a,6a]C[6a])	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[6a,6a]C[5a,6a]C[6a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[6a,6a]C[5a,6a]C[6a]){1|H<1>,7|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[6a,6a]C[5a,6a]C[6a]){1|H<1>,7|C<3>}	124.4510	0.274	2	124.4510	0.075	2	123.3067	1.781	4	122.5781	1.520	119	122.5781	1.520	119	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[6a,6a]C[5a,6a]C[6a])	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[6a,6a]C[5a,6a]C[6a]){1|H<1>,7|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	122.1625	0.175	2	122.1625	0.031	2	123.3067	1.781	4	122.5781	1.520	119	122.5781	1.520	119	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[5a,6a,6a]-3:C[5,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6a,6a]C[6,6a]2)	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[5a,6,6a]C[6])(C[6,6a]C[5,6,6a]C[6])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6a,6a]C[6,6a]2){8|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[5a,6,6a]C[6])(C[6,6a]C[5,6,6a]C[6]){2|C<4>,2|O<1>,6|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	121.5930	0.000	1	121.5930	0.000	1	123.0785	4.413	2	122.5781	1.520	119	122.5781	1.520	119	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[5a,6a,6a]-3:C[5,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])2(C[6a,6a]C[6,6a]2)	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[5,6,6a]C[6])2	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])2(C[6a,6a]C[6,6a]2){2|C<2>,6|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[5,6,6a]C[6])2{8|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	124.5640	0.000	1	124.5640	0.000	1	123.0785	4.413	2	122.5781	1.520	119	122.5781	1.520	119	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])2(C[6a,6a]C[6,6a]2)	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[5,6,6a]C[6])2	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])2(C[6a,6a]C[6,6a]2){2|C<2>,6|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[5,6,6a]C[6])2{8|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a]){8|C<3>}	125.0097	0.719	3	125.0097	0.517	3	125.0097	0.517	3	122.5781	1.520	119	122.5781	1.520	119	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)2(C[6a,6a]C[6,6a]2)	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[5a,6,6a]C[6])2	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)2(C[6a,6a]C[6,6a]2){2|C<2>,6|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[5a,6,6a]C[6])2{8|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[6a,6a]){8|C<3>}	121.7450	0.000	1	121.7450	0.000	1	121.1200	0.351	3	122.5781	1.520	119	122.5781	1.520	119	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)2(C[6a,6a]C[6,6a]2)	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[5a,6,6a]C[6])2	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)2(C[6a,6a]C[6,6a]2){2|C<2>,6|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[5a,6,6a]C[6])2{8|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	120.5670	0.000	1	120.5670	0.000	1	121.1200	0.351	3	122.5781	1.520	119	122.5781	1.520	119	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6a,6a]C[6,6a]2)	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[5a,6,6a]C[6])(C[6,6a]C[5,6,6a]C[6])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6a,6a]C[6,6a]2){8|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[5a,6,6a]C[6])(C[6,6a]C[5,6,6a]C[6]){2|C<4>,2|O<1>,6|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	121.0480	0.000	1	121.0480	0.000	1	121.1200	0.351	3	122.5781	1.520	119	122.5781	1.520	119	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,7|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	123.7960	0.000	1	123.7960	0.000	1	123.7960	0.000	1	122.5781	1.520	119	122.5781	1.520	119	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,7|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	120.5370	0.000	1	120.5370	0.000	1	122.4232	1.577	5	122.5781	1.520	119	122.5781	1.520	119	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,7|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,7|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,7|C<3>}	123.7040	0.000	1	123.7040	0.000	1	122.4232	1.577	5	122.5781	1.520	119	122.5781	1.520	119	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,7|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,7|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	123.2010	0.000	1	123.2010	0.000	1	122.4232	1.577	5	122.5781	1.520	119	122.5781	1.520	119	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,7|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,7|C<3>}	121.8430	0.000	1	121.8430	0.000	1	122.4232	1.577	5	122.5781	1.520	119	122.5781	1.520	119	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,7|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	122.8310	0.000	1	122.8310	0.000	1	122.4232	1.577	5	122.5781	1.520	119	122.5781	1.520	119	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[3x6a]C[6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[3x6a]C[6a,6a]2){8|C<3>}	122.1292	0.422	4	122.1292	0.178	4	122.1292	0.178	4	122.5781	1.520	119	122.5781	1.520	119	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6a,6a]C[6a]2)	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6a]C[5a,6a]H)(C[6a]C[5,6a]H)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5,6a,6a]C[5,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6a]C[5a,6a]H)(C[6a]C[5,6a]H){6|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5,6a,6a]C[5,6a]2){8|C<3>}	122.1570	0.000	1	122.1570	0.000	1	121.8338	0.120	5	122.5781	1.520	119	122.5781	1.520	119	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6a]C[5,6a]C)(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[5,6a,6a]C[5,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[6a,6a]C[6a]2){1|C<4>,1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6a]C[5,6a]C)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[5,6a,6a]C[5,6a]2){8|C<3>}	121.3880	0.000	1	121.3880	0.000	1	121.8338	0.120	5	122.5781	1.520	119	122.5781	1.520	119	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[5,6a,6a]C[5,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[5,6a,6a]C[5,6a]2){8|C<3>}	121.8747	0.291	3	121.8747	0.085	3	121.8338	0.120	5	122.5781	1.520	119	122.5781	1.520	119	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6a,6a]C[6a]2)	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6a]C[5a,6a]H)(C[6a]C[5,6a]H)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[5a,6a,6a]C[5a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6a]C[5a,6a]H)(C[6a]C[5,6a]H){6|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[5a,6a,6a]C[5a,6a]2){8|C<3>}	120.5920	0.000	1	120.5920	0.000	1	121.1323	0.221	3	122.5781	1.520	119	122.5781	1.520	119	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6a,6a]C[6a]2)	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[5a,6a,6a]C[5a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6a,6a]C[6a]2){1|C<4>,1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[5a,6a,6a]C[5a,6a]2){8|C<3>}	121.3610	0.000	1	121.3610	0.000	1	121.1323	0.221	3	122.5781	1.520	119	122.5781	1.520	119	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6a,6a]C[6a]2)	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[5a,6a,6a]C[5a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[5a,6a,6a]C[5a,6a]2){8|C<3>}	121.4440	0.000	1	121.4440	0.000	1	121.1323	0.221	3	122.5781	1.520	119	122.5781	1.520	119	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6a]C[5,6a]C)(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[6a,6a]C[5,6a]C[6a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[6a,6a]C[6a]2){1|C<4>,1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6a]C[5,6a]C)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[6a,6a]C[5,6a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	123.7140	0.000	1	123.7140	0.000	1	122.8531	0.426	34	122.5781	1.520	119	122.5781	1.520	119	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[6a,6a]C[5,6a]C[6a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[6a,6a]C[5,6a]C[6a]){1|H<1>,7|C<3>}	123.0680	0.000	1	123.0680	0.000	1	122.8531	0.426	34	122.5781	1.520	119	122.5781	1.520	119	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	122.3500	0.366	2	122.3500	0.134	2	122.8531	0.426	34	122.5781	1.520	119	122.5781	1.520	119	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6a,6a]C[6a]2)	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[6a,6a]C[5,6a]C[6a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6a,6a]C[6a]2){1|C<4>,1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[6a,6a]C[5,6a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	123.6690	0.000	1	123.6690	0.000	1	122.8531	0.426	34	122.5781	1.520	119	122.5781	1.520	119	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6a,6a]C[6a]2)	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[6a,6a]C[5,6a]C[6a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[6a,6a]C[5,6a]C[6a]){1|H<1>,7|C<3>}	122.7590	0.000	1	122.7590	0.000	1	122.8531	0.426	34	122.5781	1.520	119	122.5781	1.520	119	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	123.6670	0.972	4	123.6670	0.945	4	122.8531	0.426	34	122.5781	1.520	119	122.5781	1.520	119	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6a]C[6a]H)2	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,7|C<3>}	122.3120	0.000	1	122.3120	0.000	1	122.8531	0.426	34	122.5781	1.520	119	122.5781	1.520	119	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6a]C[6a]H)2	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[6a,6a]C[6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	122.5705	0.162	2	122.5705	0.026	2	122.8531	0.426	34	122.5781	1.520	119	122.5781	1.520	119	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6a]C[6a]H)2	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[6a,6a]C[6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	122.0913	0.471	4	122.0913	0.222	4	122.8531	0.426	34	122.5781	1.520	119	122.5781	1.520	119	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6a]C[6a]H)2	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[6a,6a]C[5a,6a]C[6a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[6a,6a]C[5a,6a]C[6a]){1|H<1>,7|C<3>}	123.0060	0.102	2	123.0060	0.010	2	122.8531	0.426	34	122.5781	1.520	119	122.5781	1.520	119	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6a]C[6a]H)2	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,7|C<3>}	123.2655	0.103	2	123.2655	0.011	2	122.8531	0.426	34	122.5781	1.520	119	122.5781	1.520	119	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6a]C[6a]H)2	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	122.7742	0.457	13	122.7742	0.209	13	122.8531	0.426	34	122.5781	1.520	119	122.5781	1.520	119	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[5a,6a,6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)2	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)2{8|C<3>}	122.9640	0.293	9	122.9640	0.086	9	122.9640	0.086	9	122.5781	1.520	119	122.5781	1.520	119	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[5a,6a,6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,7|C<3>}	120.6083	0.273	10	120.6083	0.074	10	120.6083	0.074	10	122.5781	1.520	119	122.5781	1.520	119	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5a,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5a,6a,6a]C[5a,6a]C[6a,6a])2	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a]){2|H<1>,6|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5a,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5a,6a,6a]C[5a,6a]C[6a,6a])2{1|C<4>,7|C<3>}	122.2370	0.000	1	122.2370	0.000	1	122.2370	0.000	1	122.5781	1.520	119	122.5781	1.520	119	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a,6a]C[5,6a,6a]C[5a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5a,6a,6a]C[5a,6a]C[6a,6a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a]){2|H<1>,6|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5,6a,6a]C[5a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5a,6a,6a]C[5a,6a]C[6a,6a]){1|C<4>,7|C<3>}	121.9380	0.000	1	121.9380	0.000	1	121.9575	0.001	2	122.5781	1.520	119	122.5781	1.520	119	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a,6a]C[6,6a,6a]C[5a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5a,6a,6a]C[5a,6a]C[6a,6a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a]){2|H<1>,6|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[6,6a,6a]C[5a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5a,6a,6a]C[5a,6a]C[6a,6a]){1|C<4>,7|C<3>}	121.9770	0.000	1	121.9770	0.000	1	121.9575	0.001	2	122.5781	1.520	119	122.5781	1.520	119	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a,6a]C[5a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a]){2|H<1>,6|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a,6a]C[5a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	121.1820	0.372	2	121.1820	0.138	2	121.1820	0.138	2	122.5781	1.520	119	122.5781	1.520	119	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5a,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[5,6a]C)(C[6a]C[6a]H)	C[5a,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5a,6a,6a]C[5a,6a]C[6a,6a])2	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[5,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5a,6a,6a]C[5a,6a]C[6a,6a])2{1|C<4>,7|C<3>}	120.1140	0.000	1	120.1140	0.000	1	120.1140	0.000	1	122.5781	1.520	119	122.5781	1.520	119	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]Cl)2	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a,6a]C[6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a,6a]C[6a]2){3|Cl<1>,1|O<1>,4|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]Cl)2{2|Cl<1>,4|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a,6a]C[6a]2){3|Cl<1>,1|O<1>,4|C<3>}	123.1490	0.000	1	123.1490	0.000	1	122.6320	0.252	8	122.5781	1.520	119	122.5781	1.520	119	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]H)2	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a,6a]C[6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a,6a]C[6a]2){1|O<1>,3|H<1>,4|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a,6a]C[6a]2){1|O<1>,3|H<1>,4|C<3>}	122.5581	0.493	7	122.5581	0.243	7	122.6320	0.252	8	122.5781	1.520	119	122.5781	1.520	119	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]Sn)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a]){1|Sn<4>,1|O<2>,5|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]Sn){1|O<2>,1|S<2>,5|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a]){1|O<2>,1|S<2>,5|C<3>}	122.4225	0.360	4	122.4225	0.129	4	122.4225	0.129	4	122.5781	1.520	119	122.5781	1.520	119	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a]){1|Ni<4>,1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a]){1|Ni<4>,1|H<1>,6|C<3>}	124.3830	0.147	4	124.5298	2.550	8	124.1315	2.692	10	122.5781	1.520	119	122.5781	1.520	119	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a]){1|Pt<4>,1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a]){1|Pt<4>,1|H<1>,6|C<3>}	124.6765	2.423	4	124.5298	2.550	8	124.1315	2.692	10	122.5781	1.520	119	122.5781	1.520	119	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a]){1|Si<4>,1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|S<2>,2|H<1>,5|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a]){1|Si<4>,1|H<1>,5|C<3>}	122.5385	0.183	2	122.5385	0.034	2	124.1315	2.692	10	122.5781	1.520	119	122.5781	1.520	119	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:S[6a]-2:C[6a]-3:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a,6a]C[6a]S[6a])	C[6a,6a](C[5a,6a,6a]C[5a,6a]N[5a,6a])(S[6a]C[6a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a,6a]C[6a]S[6a]){2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a]N[5a,6a])(S[6a]C[6a,6a])(C[6a]C[6a]H){1|Cl<1>,5|C<3>}	C[5a,6a](C[5a,6a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|S<2>,3|C<3>}	122.0870	0.000	1	122.0870	0.000	1	122.0870	0.000	1	122.0870	0.000	1	124.4140	4.361	145	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a,6a]C[6a]N[6a])	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a,6a]C[6a]N[6a]){1|O<2>,2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|H<1>,2|O<2>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,1|N<2>,3|C<3>}	123.0750	0.000	1	123.0750	0.000	1	123.0750	0.000	1	123.0750	0.000	1	124.4140	4.361	145	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a,6a]C[6a]N[6a])	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]O[5a]C)(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a,6a]C[6a]N[6a]){1|O<2>,2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|H<1>,2|O<2>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]O[5a]C)(C[6a]C[6a]H){1|N<2>,1|O<2>,2|C<3>}	126.5940	0.000	1	126.5940	0.000	1	126.5940	0.000	1	124.2410	4.178	3	124.4140	4.361	145	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a]N[6a])	C[6a,6a](C[5a,6a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]O)(N[6a]C[6a])	C[5a,6a](C[5a,6a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a]N[6a]){1|H<1>,1|O<1>,5|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]O)(N[6a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,5|C<3>}	123.0645	0.224	2	123.0645	0.050	2	123.0645	0.050	2	124.2410	4.178	3	124.4140	4.361	145	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]Sn)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]O)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a]){1|Sn<4>,1|O<2>,5|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]Sn){1|O<2>,1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]O){1|O<2>,4|C<3>}	123.9913	0.285	4	123.9913	0.081	4	123.8043	0.138	6	123.8043	0.138	6	124.4140	4.361	145	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]Si)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a]){1|Si<4>,1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|S<2>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]Si){1|H<1>,4|C<3>}	123.4305	0.158	2	123.4305	0.025	2	123.8043	0.138	6	123.8043	0.138	6	124.4140	4.361	145	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a,6a]C[6a]2){1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)2{1|S<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|H<1>,1|N<2>,3|C<3>}	121.0940	1.922	4	121.2104	2.285	8	121.5907	1.392	18	121.6030	1.260	20	124.4140	4.361	145	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a,6a]C[6a]2){1|N<2>,2|C<3>,4|H<1>}	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)2{1|S<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|H<1>,1|N<2>,3|C<3>}	122.4510	0.000	1	121.2104	2.285	8	121.5907	1.392	18	121.6030	1.260	20	124.4140	4.361	145	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a,6a]C[6a]2){3|C<3>,4|H<1>}	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)2{1|S<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|H<1>,4|C<3>}	120.9520	1.248	3	121.2104	2.285	8	121.5907	1.392	18	121.6030	1.260	20	124.4140	4.361	145	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]O)(S[5a]C[5a])	C[5a,6a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a,6a]C[6a]2){1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)2{1|S<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]O)(S[5a]C[5a]){1|H<1>,1|N<2>,3|C<3>}	122.6292	0.380	4	122.6292	0.145	4	121.5907	1.392	18	121.6030	1.260	20	124.4140	4.361	145	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a,6a](C[5a,6a]C[6a]S[5a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(S[5a]S[5a])	C[5a,6a,6a](C[5a,6a]C[6a]S[5a])2(C[6a,6a]C[6a]2){1|N<3>,2|C<3>,3|H<1>}	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,2|H<1>,2|S<2>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(S[5a]S[5a]){1|H<1>,3|C<3>}	121.5215	0.746	2	121.5215	0.557	2	121.5907	1.392	18	121.6030	1.260	20	124.4140	4.361	145	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a,6a](C[5a,6a]C[6a]S[5a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(S[5a]S[5a])	C[5a,6a,6a](C[5a,6a]C[6a]S[5a])2(C[6a,6a]C[6a]2){1|N<3>,2|C<3>,3|H<1>}	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|S<2>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(S[5a]S[5a]){1|H<1>,3|C<3>}	120.6510	0.000	1	120.6510	0.000	1	121.5907	1.392	18	121.6030	1.260	20	124.4140	4.361	145	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a,6a](C[5a,6a]C[6a]S[5a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]N)(S[5a]S[5a])	C[5a,6a,6a](C[5a,6a]C[6a]S[5a])2(C[6a,6a]C[6a]2){1|N<3>,2|C<3>,3|H<1>}	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|S<2>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]N)(S[5a]S[5a]){1|H<1>,3|C<3>}	121.4230	0.000	1	121.4230	0.000	1	121.5907	1.392	18	121.6030	1.260	20	124.4140	4.361	145	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a,6a](C[5a,6a]C[6a]S[5a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]N)2	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]C)(S[5a]S[5a])	C[5a,6a,6a](C[5a,6a]C[6a]S[5a])2(C[6a,6a]C[6a]2){1|C<4>,2|C<3>,3|N<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]N)2{2|C<3>,2|H<1>,2|S<2>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]C)(S[5a]S[5a]){1|H<1>,3|C<3>}	122.0310	0.000	1	122.0310	0.000	1	121.5907	1.392	18	121.6030	1.260	20	124.4140	4.361	145	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a,6a](C[5a,6a]C[6a]S[5a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]N)2	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]N)(S[5a]S[5a])	C[5a,6a,6a](C[5a,6a]C[6a]S[5a])2(C[6a,6a]C[6a]2){1|C<4>,2|C<3>,3|N<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]N)2{2|C<3>,2|H<1>,2|S<2>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]N)(S[5a]S[5a]){1|H<1>,3|C<3>}	121.2840	0.000	1	121.2840	0.000	1	121.5907	1.392	18	121.6030	1.260	20	124.4140	4.361	145	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:N[6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a,6a]C[6a]O[5a])(C[6a,6a]C[6a]N[6a])	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(O[5a]C[5a])	C[5a,6a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a,6a]C[6a]O[5a])(C[6a,6a]C[6a]N[6a]){1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,6|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(O[5a]C[5a]){1|H<1>,1|N<3>,5|C<3>}	122.0700	0.000	1	122.0700	0.000	1	122.0700	0.000	1	121.6030	1.260	20	124.4140	4.361	145	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a,6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a]){2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H){3|O<2>,5|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|O<2>,4|C<3>}	121.3570	0.000	1	121.3570	0.000	1	121.3570	0.000	1	121.6030	1.260	20	124.4140	4.361	145	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a]){2|H<1>,6|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	127.5480	0.600	2	127.5480	0.360	2	127.3320	0.717	5	124.9760	3.464	114	124.4140	4.361	145	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a]){2|H<1>,6|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	127.1880	1.085	3	127.1880	1.177	3	127.3320	0.717	5	124.9760	3.464	114	124.4140	4.361	145	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[5,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[5,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	129.3290	0.000	1	129.3290	0.000	1	129.3290	0.000	1	124.9760	3.464	114	124.4140	4.361	145	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]Cl)2	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]Cl)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a,6a]C[6a]2){3|Cl<1>,1|O<1>,4|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]Cl)2{2|Cl<1>,4|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]Cl){1|Cl<1>,4|C<3>}	127.0350	0.000	1	127.0350	0.000	1	126.3611	0.204	8	124.9760	3.464	114	124.4140	4.361	145	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a,6a]C[6a]2){1|O<1>,3|H<1>,4|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]H){1|H<1>,4|C<3>}	126.2649	0.389	7	126.2649	0.152	7	126.3611	0.204	8	124.9760	3.464	114	124.4140	4.361	145	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[6a]C[6a,6a]C[5a])(N[5a]C[5a,6a]Ni)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a]){1|Ni<4>,1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[6a]C[6a,6a]C[5a])(N[5a]C[5a,6a]Ni){1|N<3>,6|C<3>}	128.4025	0.058	4	128.4025	0.003	4	128.1993	0.203	8	124.9760	3.464	114	124.4140	4.361	145	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[6a]C[6a,6a]C[5a])(N[5a]C[5a,6a]Pt)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a]){1|Pt<4>,1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[6a]C[6a,6a]C[5a])(N[5a]C[5a,6a]Pt){1|N<3>,6|C<3>}	127.9960	0.600	4	127.9960	0.361	4	128.1993	0.203	8	124.9760	3.464	114	124.4140	4.361	145	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a,5a]-3:C[6a]-3:	C[5a,6a,6a](C[5a,6a]C[5a,5a]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]C[5a,5a]C[5,5a])(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a]C[5a,5a]C[6a])2(C[6a,6a]C[6a]2){1|S<2>,3|C<3>,4|H<1>}	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]C[5a,5a]C[5,5a])(C[6a]C[6a]H){1|H<1>,1|S<2>,5|C<3>}	124.2670	0.000	1	124.2670	0.000	1	123.4646	0.192	8	124.9760	3.464	114	124.4140	4.361	145	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a,5a]-3:C[6a]-3:	C[5a,6a,6a](C[5a,6a]C[5a,5a]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]C[5a,5a]C[5a])(C[6a]C[6a]C)	C[5a,6a,6a](C[5a,6a]C[5a,5a]C[6a])2(C[6a,6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]C[5a,5a]C[5a])(C[6a]C[6a]C){1|C<4>,1|H<1>,5|C<3>}	122.9335	0.035	2	122.9335	0.001	2	123.4646	0.192	8	124.9760	3.464	114	124.4140	4.361	145	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a,5a]-3:C[6a]-3:	C[5a,6a,6a](C[5a,6a]C[5a,5a]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]C[5a,5a]C[5a])(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a]C[5a,5a]C[6a])2(C[6a,6a]C[6a]2){4|C<3>,4|H<1>}	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]C[5a,5a]C[5a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	123.4885	0.107	2	123.4885	0.011	2	123.4646	0.192	8	124.9760	3.464	114	124.4140	4.361	145	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a,5a]-3:C[6a]-3:	C[5a,6a,6a](C[5a,6a]C[5a,5a]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a]C[5a,5a]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,4|H<1>}	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	123.4420	0.232	2	123.4420	0.054	2	123.4646	0.192	8	124.9760	3.464	114	124.4140	4.361	145	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a,5a]-3:C[6a]-3:	C[5a,6a,6a](C[5a,6a]C[5a,5a]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]C[5a,5a]S[5a])(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a]C[5a,5a]C[6a])2(C[6a,6a]C[6a]2){1|S<2>,3|C<3>,4|H<1>}	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]C[5a,5a]S[5a])(C[6a]C[6a]H){1|H<1>,5|C<3>}	123.7220	0.000	1	123.7220	0.000	1	123.4646	0.192	8	124.9760	3.464	114	124.4140	4.361	145	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a,6a]C[6a]2){1|Br<1>,1|B<4>,3|C<3>,3|H<1>}	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(C[6a]C[6a]H){1|B<4>,1|C<2>,1|H<1>,4|C<3>}	124.4110	0.385	2	124.4110	0.148	2	125.2118	0.280	9	124.9760	3.464	114	124.4140	4.361	145	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a,6a]C[6a]2){1|B<4>,3|C<3>,4|H<1>}	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(C[6a]C[6a]H){1|B<4>,1|C<2>,1|H<1>,4|C<3>}	125.3090	0.000	1	125.3945	0.015	2	125.2118	0.280	9	124.9760	3.464	114	124.4140	4.361	145	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a,6a]C[6a]2){1|S<4>,3|C<3>,4|H<1>}	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(C[6a]C[6a]H){1|H<1>,1|S<4>,5|C<3>}	125.4800	0.000	1	125.3945	0.015	2	125.2118	0.280	9	124.9760	3.464	114	124.4140	4.361	145	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]N[6])(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a,6a]C[6a]2){1|B<4>,1|N<2>,2|C<3>,4|H<1>}	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]N[6])(C[6a]C[6a]H){1|B<4>,1|H<1>,4|C<3>}	125.4590	0.326	5	125.4590	0.106	5	125.2118	0.280	9	124.9760	3.464	114	124.4140	4.361	145	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a]2){3|H<1>,5|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,8|C<3>}	125.4960	0.000	1	125.4960	0.000	1	125.4960	0.000	1	124.9760	3.464	114	124.4140	4.361	145	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[5,6a])(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a]2){3|H<1>,5|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	122.8870	0.000	1	122.8870	0.000	1	124.0579	0.399	18	124.9760	3.464	114	124.4140	4.361	145	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a,6a]C[6a]2){4|C<3>,4|H<1>}	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	125.0920	0.000	1	125.0920	0.000	1	124.0579	0.399	18	124.9760	3.464	114	124.4140	4.361	145	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a])2(C[6a,6a]C[6a]2){4|C<3>,4|H<1>}	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	123.9749	0.596	11	123.9826	0.313	13	124.0579	0.399	18	124.9760	3.464	114	124.4140	4.361	145	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a])2(C[6a,6a]C[6a]2){4|C<3>,4|H<1>}	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	124.0250	0.441	2	123.9826	0.313	13	124.0579	0.399	18	124.9760	3.464	114	124.4140	4.361	145	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]S[6a])(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|S<2>,4|H<1>}	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]S[6a])(C[6a]C[6a]H){1|H<1>,1|S<2>,4|C<3>}	124.4300	0.230	3	124.4300	0.053	3	124.0579	0.399	18	124.9760	3.464	114	124.4140	4.361	145	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	126.9910	0.000	1	125.4890	1.060	4	123.6425	2.178	21	124.9760	3.464	114	124.4140	4.361	145	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a]2){1|S<4>,3|C<3>,4|H<1>}	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|H<1>,1|S<4>,3|C<3>}	124.9883	0.295	3	125.4890	1.060	4	123.6425	2.178	21	124.9760	3.464	114	124.4140	4.361	145	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]C)(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a,6a]C[6a]2){3|C<3>,4|H<1>}	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)2{1|S<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]C)(C[6a]C[6a]H){1|H<1>,3|C<3>}	123.7640	1.313	3	123.7640	1.723	3	123.6425	2.178	21	124.9760	3.464	114	124.4140	4.361	145	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]N)(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a,6a]C[6a]2){1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)2{1|S<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]N)(C[6a]C[6a]H){1|H<1>,3|C<3>}	122.4548	0.359	4	122.4772	0.099	5	123.6425	2.178	21	124.9760	3.464	114	124.4140	4.361	145	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]N)(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a,6a]C[6a]2){1|N<2>,2|C<3>,4|H<1>}	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)2{1|S<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]N)(C[6a]C[6a]H){1|H<1>,3|C<3>}	122.5670	0.000	1	122.4772	0.099	5	123.6425	2.178	21	124.9760	3.464	114	124.4140	4.361	145	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]N)(C[6a]C[6a]O)	C[5a,6a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a,6a]C[6a]2){1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)2{1|S<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]N)(C[6a]C[6a]O){1|H<1>,3|C<3>}	123.7392	1.555	4	123.7392	2.417	4	123.6425	2.178	21	124.9760	3.464	114	124.4140	4.361	145	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a,6a](C[5a,6a]C[5a]C[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]O)(C[6a]C[6a]C)	C[5a,6a,6a](C[5a,6a]C[5a]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]O)(C[6a]C[6a]C){1|H<1>,1|O<1>,3|C<3>}	122.5980	0.134	2	122.5980	0.018	2	123.6425	2.178	21	124.9760	3.464	114	124.4140	4.361	145	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]Si)(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a,6a]C[6a]2){1|Si<4>,3|C<3>,4|H<1>}	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]Si)(C[6a]C[6a]H){2|H<1>,3|C<3>}	124.6145	0.019	2	124.6145	0.000	2	123.6425	2.178	21	124.9760	3.464	114	124.4140	4.361	145	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]O)(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a,6a]C[6a]2){2|H<1>,2|O<1>,4|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a,6a]O)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]O)(C[6a]C[6a]H){1|H<1>,4|C<3>}	121.4760	0.000	1	121.4760	0.000	1	123.6425	2.178	21	124.9760	3.464	114	124.4140	4.361	145	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a,6a]C[6a]2){1|Si<4>,3|C<3>,4|H<1>}	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]H){1|Si<4>,1|H<1>,5|C<3>}	125.4225	0.122	2	125.4225	0.015	2	125.6477	0.160	3	124.9760	3.464	114	124.4140	4.361	145	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a,6a]C[6a]2){2|H<1>,2|O<1>,4|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a,6a]O)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|O<1>,7|C<3>}	126.0980	0.000	1	126.0980	0.000	1	125.6477	0.160	3	124.9760	3.464	114	124.4140	4.361	145	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|H<1>,4|C<3>}	123.5640	0.000	1	123.5640	0.000	1	123.3982	0.277	4	124.9760	3.464	114	124.4140	4.361	145	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a]2){1|S<4>,3|C<3>,4|H<1>}	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|H<1>,4|C<3>}	123.3430	0.630	3	123.3430	0.397	3	123.3982	0.277	4	124.9760	3.464	114	124.4140	4.361	145	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a,6a]C[6a]2){1|Br<1>,1|B<4>,3|C<3>,3|H<1>}	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	125.7340	0.600	2	125.7340	0.360	2	124.4768	0.805	9	124.9760	3.464	114	124.4140	4.361	145	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a,6a]C[6a]2){1|B<4>,1|N<2>,2|C<3>,4|H<1>}	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|F<1>,3|C<3>}	124.3332	0.306	5	124.3145	0.077	6	124.4768	0.805	9	124.9760	3.464	114	124.4140	4.361	145	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a,6a]C[6a]2){1|B<4>,3|C<3>,4|H<1>}	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	124.2210	0.000	1	124.3145	0.077	6	124.4768	0.805	9	124.9760	3.464	114	124.4140	4.361	145	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6]S[6])(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a,6a]C[6a]2){1|S<4>,3|C<3>,4|H<1>}	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6]S[6])(C[6a]C[6a]H){1|H<1>,2|O<1>,5|C<3>}	122.9360	0.000	1	122.9360	0.000	1	124.4768	0.805	9	124.9760	3.464	114	124.4140	4.361	145	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a,6a]C[6a]2){4|C<3>,4|H<1>}	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<1>,5|C<3>}	123.3800	0.000	1	123.3800	0.000	1	123.3800	0.000	1	124.9760	3.464	114	124.4140	4.361	145	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:N[6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a,6a]C[6a]O[5a])(C[6a,6a]C[6a]N[6a])	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]O[5a]C[6])	C[5a,6a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a,6a]C[6a]O[5a])(C[6a,6a]C[6a]N[6a]){1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,6|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]O[5a]C[6]){1|N<3>,1|O<2>,6|C<3>}	125.6870	0.000	1	125.6870	0.000	1	125.6870	0.000	1	124.9760	3.464	114	124.4140	4.361	145	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a,6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){1|C<2>,3|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.9440	0.000	1	123.5265	0.221	4	123.5265	0.221	4	124.9760	3.464	114	124.4140	4.361	145	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a,6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){1|C<4>,3|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	123.5425	0.141	2	123.5265	0.221	4	123.5265	0.221	4	124.9760	3.464	114	124.4140	4.361	145	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a,6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){2|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	124.0770	0.000	1	123.5265	0.221	4	123.5265	0.221	4	124.9760	3.464	114	124.4140	4.361	145	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a,6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){2|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,5|C<3>}	127.2480	0.000	1	127.2480	0.000	1	127.8576	2.731	5	124.9760	3.464	114	124.4140	4.361	145	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a,6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){1|C<2>,3|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a]H){1|C<2>,1|H<1>,5|C<3>}	127.2420	0.000	1	127.0783	0.021	3	127.8576	2.731	5	124.9760	3.464	114	124.4140	4.361	145	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a,6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){1|C<4>,3|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,5|C<3>}	126.9965	0.045	2	127.0783	0.021	3	127.8576	2.731	5	124.9760	3.464	114	124.4140	4.361	145	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a,6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(C[5a]C[6a]O[5a])	C[5a,6a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a]){2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H){3|O<2>,5|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(C[5a]C[6a]O[5a]){1|H<1>,7|C<3>}	130.8050	0.000	1	130.8050	0.000	1	127.8576	2.731	5	124.9760	3.464	114	124.4140	4.361	145	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a]){8|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a,6a]C[5a,6a]2){1|H<1>,9|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|H<1>,8|C<3>}	123.4540	0.000	1	123.4540	0.000	1	122.9413	0.583	3	124.9760	3.464	114	124.4140	4.361	145	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,7|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a,6a]C[5a,6a]2){1|H<1>,9|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	122.6850	0.878	2	122.6850	0.771	2	122.9413	0.583	3	124.9760	3.464	114	124.4140	4.361	145	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,7|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a,6a]C[5a,6a]2){1|H<1>,9|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,8|C<3>}	127.3370	0.106	2	127.1560	0.104	3	127.1560	0.104	3	124.9760	3.464	114	124.4140	4.361	145	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a]){8|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a,6a]C[5a,6a]2){1|H<1>,9|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,8|C<3>}	126.7940	0.000	1	127.1560	0.104	3	127.1560	0.104	3	124.9760	3.464	114	124.4140	4.361	145	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a,6a]-3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a,6a]C[5a]C[6a])	C[6a,6a](C[5a,6a,6a]C[5a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a,6a]C[5a]C[6a]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a,6a](C[5a,6a,6a]C[5a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,6|C<3>}	C[5a,6a](C[5a,6a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>}	125.7580	0.000	1	125.7795	0.001	2	125.7795	0.001	2	124.9760	3.464	114	124.4140	4.361	145	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a,6a]-3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a,6a]C[5a]C[6a])	C[6a,6a](C[5a,6a,6a]C[5a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a,6a]C[5a]C[6a]){1|O<1>,3|C<3>,4|H<1>}	C[6a,6a](C[5a,6a,6a]C[5a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,6|C<3>}	C[5a,6a](C[5a,6a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	125.8010	0.000	1	125.7795	0.001	2	125.7795	0.001	2	124.9760	3.464	114	124.4140	4.361	145	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6,6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6,6,6a]-3:S[5a]-2:	C[6,6,6a]-3:C[5a,6a]-3:C[3x6]-4:	C[5a,6a]-3:C[6,6,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[6,6,6a]C[5a,6a])(C[6,6,6a]C[6,6,6a]C[3x6])(S[5a]C[5a,6a])	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a,6a]S[5a])(C[3x6]C[6,6]2H)	C[5a,6a](C[5a,6a]C[6,6,6a]C[5a,6a])(C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[6,6,6a]S[5a])	C[5a,6a](C[5a,6a]C[6,6,6a]C[5a,6a])(C[6,6,6a]C[6,6,6a]C[3x6])(S[5a]C[5a,6a]){1|H<1>,3|C<3>,4|C<4>}	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a,6a]S[5a])(C[3x6]C[6,6]2H){3|C<3>,3|C<4>,5|H<1>}	C[5a,6a](C[5a,6a]C[6,6,6a]C[5a,6a])(C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[6,6,6a]S[5a]){1|H<1>,3|C<3>,5|C<4>}	123.1405	0.487	2	123.1405	0.237	2	123.1405	0.237	2	123.3653	0.453	7	123.0430	25.744	12	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6,6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6,6,6a]-3:S[5a]-2:	C[6,6,6a]-3:C[5a,6a]-3:C[3x6]-4:	C[6,6,6a]-3:C[5a,6]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[6,6,6a]C[5a,6])(C[6,6,6a]C[6,6,6a]C[3x6])(S[5a]C[5a,6])	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a,6a]S[5a])(C[3x6]C[6,6]2H)	C[5a,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6]C[5,6,6]C[5a,6])(C[5a,6a]C[6,6,6a]S[5a])	C[5a,6a](C[5a,6a]C[6,6,6a]C[5a,6])(C[6,6,6a]C[6,6,6a]C[3x6])(S[5a]C[5a,6]){1|H<1>,3|C<3>,4|C<4>}	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a,6a]S[5a])(C[3x6]C[6,6]2H){3|C<3>,3|C<4>,5|H<1>}	C[5a,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6]C[5,6,6]C[5a,6])(C[5a,6a]C[6,6,6a]S[5a]){1|H<1>,2|C<3>,6|C<4>}	124.7960	0.000	1	124.7960	0.000	1	124.7960	0.000	1	123.3653	0.453	7	123.0430	25.744	12	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6,6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[6,6,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6,6,6a]-3:C[3x6]-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a])	C[6,6,6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)	C[5a,6a](C[5a,6a]C[6,6,6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a]){1|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H){2|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[6,6,6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	123.1200	0.174	4	123.1200	0.030	4	123.1200	0.030	4	123.3653	0.453	7	123.0430	25.744	12	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6,6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:2:	C[5a,6a]-3:C[6,6,6a]-3:C[5a,6a]-3:	C[6,6,6a]-3:C[5a,6a]-3:C[3x6]-4:	C[5a,6a]-3:C[6,6,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6,6,6a]C[5a,6a])(C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[6,6,6a]S[5a])	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a,6a]2)(C[3x6]C[6,6]2H)	C[5a,6a](C[5a,6a]C[6,6,6a]C[5a,6a])(C[6,6,6a]C[6,6,6a]C[3x6])(S[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6,6,6a]C[5a,6a])(C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[6,6,6a]S[5a]){1|H<1>,3|C<3>,5|C<4>}	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a,6a]2)(C[3x6]C[6,6]2H){1|S<2>,3|C<3>,3|C<4>,5|H<1>}	C[5a,6a](C[5a,6a]C[6,6,6a]C[5a,6a])(C[6,6,6a]C[6,6,6a]C[3x6])(S[5a]C[5a,6a]){1|H<1>,3|C<3>,4|C<4>}	116.4395	0.151	2	116.4395	0.023	2	116.4395	0.023	2	116.5063	0.025	3	123.0430	25.744	12	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6,6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:2:	C[6,6,6a]-3:C[5a,6]-3:C[5a,6a]-3:	C[6,6,6a]-3:C[5a,6a]-3:C[3x6]-4:	C[5a,6a]-3:C[6,6,6a]-3:S[5a]-2:	C[5a,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6]C[5,6,6]C[5a,6])(C[5a,6a]C[6,6,6a]S[5a])	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a,6a]C[5a,6])(C[3x6]C[6,6]2H)	C[5a,6a](C[5a,6a]C[6,6,6a]C[5a,6])(C[6,6,6a]C[6,6,6a]C[3x6])(S[5a]C[5a,6])	C[5a,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6]C[5,6,6]C[5a,6])(C[5a,6a]C[6,6,6a]S[5a]){1|H<1>,2|C<3>,6|C<4>}	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a,6a]C[5a,6])(C[3x6]C[6,6]2H){1|S<2>,3|C<3>,3|C<4>,5|H<1>}	C[5a,6a](C[5a,6a]C[6,6,6a]C[5a,6])(C[6,6,6a]C[6,6,6a]C[3x6])(S[5a]C[5a,6]){1|H<1>,3|C<3>,4|C<4>}	116.6400	0.000	1	116.6400	0.000	1	116.6400	0.000	1	116.5063	0.025	3	123.0430	25.744	12	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6,6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6,6,6a]-3:C[5a,6a]-3:	C[6,6,6a]-3:C[5a,6a]-3:C[3x6]-4:	C[5a,6a]-3:C[6,6,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[6,6,6a]C[5a,6a])(C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[6,6,6a]S[5a])	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a,6a]2)(C[3x6]C[6,6]2H)	C[5a,6a](C[5a,6a]C[6,6,6a]C[5a,6a])(C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[6,6,6a]S[5a])	C[5a,6a](C[5a,6a]C[6,6,6a]C[5a,6a])(C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[6,6,6a]S[5a]){1|H<1>,3|C<3>,5|C<4>}	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a,6a]2)(C[3x6]C[6,6]2H){1|S<2>,3|C<3>,3|C<4>,5|H<1>}	C[5a,6a](C[5a,6a]C[6,6,6a]C[5a,6a])(C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[6,6,6a]S[5a]){1|H<1>,3|C<3>,5|C<4>}	131.7200	0.964	2	131.7200	0.930	2	131.7200	0.930	2	131.7200	0.930	2	123.0430	25.744	12	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[6,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6,6a]C[6,6a]C[6])(S[5a]S[5a])	C[6,6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6,6a]C[5a,6a]C[6])(C[6]C[6]H)	C[5a,6a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a,6a,6a]C[5a,6a]2)(C[5a,6a]C[6,6a]S[5a])	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6,6a]C[6,6a]C[6])(S[5a]S[5a]){1|C<2>,1|H<1>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6,6a]C[5a,6a]C[6])(C[6]C[6]H){1|H<1>,2|S<2>,3|C<3>}	C[5a,6a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a,6a,6a]C[5a,6a]2)(C[5a,6a]C[6,6a]S[5a]){2|S<2>,4|C<3>}	121.1440	0.000	1	121.4175	0.150	2	121.4175	0.150	2	121.4175	0.150	2	119.8653	2.340	6	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[6,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6,6a]C[6,6a]C[6])(S[5a]S[5a])	C[6,6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6,6a]C[5a,6a]C[6])(C[6]C[6]H)	C[5a,6a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a,6a,6a]C[5a,6a]2)(C[5a,6a]C[6,6a]S[5a])	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6,6a]C[6,6a]C[6])(S[5a]S[5a]){1|H<1>,5|C<3>}	C[6,6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6,6a]C[5a,6a]C[6])(C[6]C[6]H){1|C<2>,2|C<3>,2|H<1>,2|S<2>}	C[5a,6a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a,6a,6a]C[5a,6a]2)(C[5a,6a]C[6,6a]S[5a]){2|S<2>,4|C<3>}	121.6910	0.000	1	121.4175	0.150	2	121.4175	0.150	2	121.4175	0.150	2	119.8653	2.340	6	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a,6a]-3:C[6,6a]-3:C[5a]-3:	C[6,6a,6a]-3:C[5a,6a]-3:Se[6]-2:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[6,6a,6a]Se[6])(C[5a]C[5a,6a]O)	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a]C[5a,6a,6a]C[5a])(Se[6]C[6,6a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5a,6a]C[6,6a]C[5a])	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[6,6a,6a]Se[6])(C[5a]C[5a,6a]O){6|C<3>}	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a]C[5a,6a,6a]C[5a])(Se[6]C[6,6a]){1|O<1>,7|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5a,6a]C[6,6a]C[5a]){1|Se<2>,1|O<1>,6|C<3>}	119.4500	0.000	1	119.4500	0.000	1	119.4500	0.000	1	119.4500	0.000	1	119.8653	2.340	6	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a,6a]-3:C[6,6a]-3:	C[6,6a,6a]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[6,6a,6a]C[6])	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6]C[6]O)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)2(C[5a,6a]C[5a,6a]C[6,6a])	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[6,6a,6a]C[6]){1|C<4>,1|O<1>,7|C<3>}	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6]C[6]O){1|C<4>,8|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)2(C[5a,6a]C[5a,6a]C[6,6a]){8|C<3>}	117.3110	0.000	1	117.3110	0.000	1	117.3110	0.000	1	117.3110	0.000	1	119.8653	2.340	6	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a,6a]-3:C[6,6a]-3:C[5a]-3:	C[6,6a,6a]-3:C[5a,6a]-3:C[6]-4:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[6,6a,6a]C[6])(C[5a]C[5a,6a]O)	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a]C[5a,6a,6a]C[5a])(C[6]C[6,6a]C[6a]C)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5a,6a]C[6,6a]C[5a])	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[6,6a,6a]C[6])(C[5a]C[5a,6a]O){1|C<4>,7|C<3>}	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a]C[5a,6a,6a]C[5a])(C[6]C[6,6a]C[6a]C){1|O<1>,9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5a,6a]C[6,6a]C[5a]){1|C<4>,1|O<1>,6|C<3>}	119.9070	0.000	1	119.9070	0.000	1	119.9070	0.000	1	119.9070	0.000	1	119.8653	2.340	6	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a,6a]	3:3:3:	3:4:3:	3:3:3:	C[5a,6a,6a]-3:C[6,6a]-3:C[5a]-3:	C[6,6a,6a]-3:C[6,6]-4:C[5a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[6,6a,6a]C[6,6])(C[5a]C[5a,6a]O)	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6]C[6,6,6a]C[6a]C[6])(C[5a,6a]C[5a,6a,6a]C[5a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5a,6a]C[6,6a]C[5a])	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[6,6a,6a]C[6,6])(C[5a]C[5a,6a]O){8|C<3>}	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6]C[6,6,6a]C[6a]C[6])(C[5a,6a]C[5a,6a,6a]C[5a]){10|C<3>,1|N<2>,1|O<1>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5a,6a]C[6,6a]C[5a]){1|C<4>,1|O<1>,6|C<3>}	119.6890	0.000	1	119.6890	0.000	1	119.6890	0.000	1	119.6890	0.000	1	119.8653	2.340	6	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6,6a]-3:N[6]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]N[6])(N[5a]S[5a])	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]N[6])(N[6]C[6])	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]N[6])(N[5a]S[5a]){1|N<3>,3|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]N[6])(N[6]C[6]){1|C<4>,1|H<1>,1|S<2>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a]){1|C<3>,1|H<1>,1|N<2>}	120.8910	0.000	1	120.8910	0.000	1	120.8910	0.000	1	120.8910	0.000	1	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[5,6])(N[5a]S[5a])	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[5a,6a]C[5,6])(C[5,6]C[5,6a]C[5,6])	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6,6a]N[5a])(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[5,6])(N[5a]S[5a]){1|C<4>,1|N<2>,3|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[5a,6a]C[5,6])(C[5,6]C[5,6a]C[5,6]){1|O<2>,1|S<2>,2|C<4>,2|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6,6a]N[5a])(N[5a]S[5a]){1|N<2>,1|S<2>,2|C<3>}	122.7380	0.666	4	122.7380	0.443	4	122.7380	0.443	4	121.3871	0.684	20	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]S[5a])	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]S[5a]){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Cu<6>,1|H<1>,1|N<2>,1|N<3>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]S[5a]){1|H<1>,1|N<3>,3|C<3>}	121.2175	0.264	2	121.1249	0.115	14	121.1249	0.115	14	121.3871	0.684	20	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]S[5a])	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]S[5a]){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Fe<6>,1|H<1>,1|N<2>,1|N<3>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]S[5a]){1|H<1>,1|N<3>,3|C<3>}	121.1094	0.358	12	121.1249	0.115	14	121.1249	0.115	14	121.3871	0.684	20	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]S[5a])	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]S[5a]){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|H<1>,1|N<2>,1|O<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|H<1>,2|C<3>}	120.0710	0.000	1	120.0710	0.000	1	120.5210	0.405	2	121.3871	0.684	20	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]S[5a])	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]S[5a]){1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]N[6])(C[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|S<2>,2|H<1>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|H<1>,2|C<3>}	120.9710	0.000	1	120.9710	0.000	1	120.5210	0.405	2	121.3871	0.684	20	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ir<6>,1|H<1>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]C[6a]){1|N<3>,2|H<1>,5|C<3>}	121.3300	0.156	2	121.3300	0.024	2	121.3041	0.755	30	121.6317	1.614	36	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Co<6>,1|H<1>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	120.9740	0.000	1	121.3023	0.810	28	121.3041	0.755	30	121.6317	1.614	36	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Cu<4>,1|H<1>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	121.8210	0.297	3	121.3023	0.810	28	121.3041	0.755	30	121.6317	1.614	36	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Cu<5>,1|H<1>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	122.5940	0.701	2	121.3023	0.810	28	121.3041	0.755	30	121.6317	1.614	36	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Fe<6>,1|H<1>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	121.8110	0.740	8	121.3023	0.810	28	121.3041	0.755	30	121.6317	1.614	36	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Hg<4>,1|H<1>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	120.2890	0.000	1	121.3023	0.810	28	121.3041	0.755	30	121.6317	1.614	36	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ir<6>,1|H<1>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	120.5380	0.823	3	121.3023	0.810	28	121.3041	0.755	30	121.6317	1.614	36	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Mn<6>,1|H<1>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	121.1603	0.240	3	121.3023	0.810	28	121.3041	0.755	30	121.6317	1.614	36	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ni<6>,1|H<1>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	120.9100	0.000	1	121.3023	0.810	28	121.3041	0.755	30	121.6317	1.614	36	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ru<9>,1|H<1>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	118.8890	0.000	1	121.3023	0.810	28	121.3041	0.755	30	121.6317	1.614	36	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Cd<6>,1|H<1>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|N<3>,2|H<1>,3|C<3>}	120.9160	0.000	1	121.3023	0.810	28	121.3041	0.755	30	121.6317	1.614	36	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Fe<6>,1|H<1>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|N<3>,2|H<1>,3|C<3>}	121.3320	0.000	1	121.3023	0.810	28	121.3041	0.755	30	121.6317	1.614	36	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Mn<6>,1|H<1>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|N<3>,2|H<1>,3|C<3>}	120.9600	0.537	2	121.3023	0.810	28	121.3041	0.755	30	121.6317	1.614	36	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ni<6>,1|H<1>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|N<3>,2|H<1>,3|C<3>}	120.9990	0.000	1	121.3023	0.810	28	121.3041	0.755	30	121.6317	1.614	36	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a,6a]N[6])(C[6]C[6]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(N[5a]C[5a]H){1|H<1>,1|N<2>,4|C<3>}	121.6650	0.000	1	121.0895	0.662	2	121.0895	0.662	2	121.6317	1.614	36	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a,6a]N[6])(C[6]C[6]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(N[5a]C[5a]H){1|N<2>,2|H<1>,3|C<3>}	120.5140	0.000	1	121.0895	0.662	2	121.0895	0.662	2	121.6317	1.614	36	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6,6a]-3:N[6]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6,6a]N[6])(O[5a]C[5a])	C[6,6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6a]C[6])(N[6]C[6]Zn)	C[5a,6a](C[5a,6a]C[6,6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6,6a]N[6])(O[5a]C[5a]){1|Zn<5>,2|H<1>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6a]C[6])(N[6]C[6]Zn){1|C<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	124.1155	0.042	2	124.1155	0.002	2	124.1155	0.002	2	121.6317	1.614	36	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[5a,6]-3:N[6,6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6,6a]C[5a,6]N[6,6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a])	C[6,6a](C[5a,6a]C[5a,6a]O[5a])(C[5a,6]C[5a,6]N[5a])(N[6,6a]C[6a]C[6])	C[5a,6a](C[5a,6a]C[6,6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[5a,6a](C[6,6a]C[5a,6]N[6,6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a]){1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]O[5a])(C[5a,6]C[5a,6]N[5a])(N[6,6a]C[6a]C[6]){1|C<4>,4|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	124.6040	0.339	2	124.6040	0.115	2	124.6040	0.115	2	121.6317	1.614	36	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:2:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]S[5a])	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6]C[6a])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]Br)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]S[5a]){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6]C[6a])(C[6]C[6]HH){1|C<3>,1|N<2>,1|S<2>,3|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]Br)(N[5a]S[5a]){1|C<3>,1|C<4>,1|H<1>}	121.5090	0.000	1	121.5090	0.000	1	121.5090	0.000	1	121.5090	0.000	1	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	120.6790	0.000	1	120.6790	0.000	1	120.7848	0.007	4	122.8847	5.186	8	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	120.8200	0.061	3	120.8200	0.004	3	120.7848	0.007	4	122.8847	5.186	8	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6,6a]C[6])(O[5a]C[5a])	C[6,6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[4x6]C[6a])(C[6]C[5,6]HH)	C[5a,6a](C[5a,6a]C[6,6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6,6a]C[6])(O[5a]C[5a]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[4x6]C[6a])(C[6]C[5,6]HH){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5a,6a](C[5a,6a]C[6,6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,2|H<1>}	125.3310	0.069	2	125.3310	0.005	2	124.9847	0.332	4	122.8847	5.186	8	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6,6a]C[6])(O[5a]C[5a])	C[6,6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[5,6,6]C[6a])(C[6]C[5,6]HH)	C[5a,6a](C[5a,6a]C[6,6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6,6a]C[6])(O[5a]C[5a]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[5,6,6]C[6a])(C[6]C[5,6]HH){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5a,6a](C[5a,6a]C[6,6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,2|H<1>}	125.1450	0.000	1	125.1450	0.000	1	124.9847	0.332	4	122.8847	5.186	8	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6,6a]C[6])(O[5a]C[5a])	C[6,6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)	C[5a,6a](C[5a,6a]C[6,6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6,6a]C[6])(O[5a]C[5a]){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO){1|O<1>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>}	124.1320	0.000	1	124.1320	0.000	1	124.9847	0.332	4	122.8847	5.186	8	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[5a,6a]-3:C[6,6a]-3:O[6]-2:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6,6a])(C[5a,6]N[5a,6,6]N[6])(C[6,6a]C[6,6a]O[6])	C[6,6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]O[6])(O[6]C[6,6a])	C[5a,6a](C[5a,6a]C[5a,6]C[6,6a])(C[5a,6]N[5a,6,6]N[6])(C[6,6a]C[6,6a]O[6])	C[5a,6a](C[5a,6a]C[5a,6]C[6,6a])(C[5a,6]N[5a,6,6]N[6])(C[6,6a]C[6,6a]O[6]){1|B<4>,1|N<2>,2|O<2>,3|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]O[6])(O[6]C[6,6a]){1|N<2>,1|N<3>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6,6a])(C[5a,6]N[5a,6,6]N[6])(C[6,6a]C[6,6a]O[6]){1|B<4>,1|N<2>,2|O<2>,3|C<3>}	120.1245	0.571	2	120.1245	0.326	2	120.1245	0.326	2	120.9814	2.189	10	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:O[6]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]O[6])(C[5a]C[5a]H)	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[5,6]C[6a])(O[6]C[6])	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]O[6])(C[5a]C[5a]H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[5,6]C[6a])(O[6]C[6]){2|H<1>,2|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|O<2>,3|H<1>}	117.4110	0.000	1	117.4110	0.000	1	117.4110	0.000	1	120.9814	2.189	10	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:O[6]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(N[5a]C[5a,6a]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(N[5a]C[5a,6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	121.6180	0.350	4	121.6180	0.123	4	121.6180	0.123	4	120.9814	2.189	10	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:S[6]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]S[6])(N[5a]C[5a,6a]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]N[6])(S[6]C[6,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]S[6])(N[5a]C[5a,6a]H){1|N<3>,5|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]N[6])(S[6]C[6,6a]){2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]2){1|S<2>,2|H<1>,6|C<3>}	121.8940	0.579	3	121.8940	0.335	3	121.8940	0.335	3	120.9814	2.189	10	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]O[5a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]O[5a])(C[6,6a]C[6,6a]C[6]){1|H<1>,1|O<1>,6|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	118.5100	0.076	2	118.5100	0.006	2	118.5100	0.006	2	119.0482	0.518	6	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6,6a]C[6,6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6]){2|O<2>,3|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	118.6975	0.383	2	118.6975	0.146	2	119.3173	0.572	4	119.0482	0.518	6	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]O[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(O[5a]C[5a,6a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6,6a]C[6,6a]2){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]O[6]){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(O[5a]C[5a,6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	119.9370	0.180	2	119.9370	0.032	2	119.3173	0.572	4	119.0482	0.518	6	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6,6a]C[6])(C[5a]C[5a]C)	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6,6a]C[6])(C[5a]C[5a]C){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	118.4400	0.000	1	118.4400	0.000	1	118.4400	0.000	1	122.8640	2.713	45	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:N[6]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6,6a]N[6])(C[5a]C[5a]H)	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6,6a]N[6])(C[5a]C[5a]H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6a]C[6])(N[6]C[6a]C[6]){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	117.4500	0.000	1	117.4500	0.000	1	117.4500	0.000	1	122.8640	2.713	45	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6,6a]-3:C[5a]-3:	C[6,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6,6a]C[6,6a]2)(C[5a]N[5a]C)	C[6,6a](C[6,6a]C[6,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6a]C[6])	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6,6a]C[6,6a]2)(C[5a]N[5a]C){5|C<3>}	C[6,6a](C[6,6a]C[6,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6a]C[6]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,5|C<3>}	116.4800	0.000	1	116.4800	0.000	1	116.4800	0.000	1	122.8640	2.713	45	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]C[6a])	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]C[6a]){1|N<3>,2|H<1>,5|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ir<6>,1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,2|H<1>,4|C<3>}	123.1475	0.566	2	123.1475	0.321	2	123.5984	0.265	30	122.8640	2.713	45	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Co<6>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,2|H<1>,4|C<3>}	124.7810	0.000	1	123.6306	0.257	28	123.5984	0.265	30	122.8640	2.713	45	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Cu<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,2|H<1>,4|C<3>}	123.2373	0.140	3	123.6306	0.257	28	123.5984	0.265	30	122.8640	2.713	45	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Cu<5>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,2|H<1>,4|C<3>}	122.7845	0.111	2	123.6306	0.257	28	123.5984	0.265	30	122.8640	2.713	45	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Fe<6>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,2|H<1>,4|C<3>}	123.5840	0.292	8	123.6306	0.257	28	123.5984	0.265	30	122.8640	2.713	45	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Hg<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,2|H<1>,4|C<3>}	123.4900	0.000	1	123.6306	0.257	28	123.5984	0.265	30	122.8640	2.713	45	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ir<6>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,2|H<1>,4|C<3>}	124.1237	0.516	3	123.6306	0.257	28	123.5984	0.265	30	122.8640	2.713	45	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Mn<6>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,2|H<1>,4|C<3>}	123.5863	0.466	3	123.6306	0.257	28	123.5984	0.265	30	122.8640	2.713	45	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ni<6>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,2|H<1>,4|C<3>}	124.4620	0.000	1	123.6306	0.257	28	123.5984	0.265	30	122.8640	2.713	45	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ru<9>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,2|H<1>,4|C<3>}	122.9820	0.000	1	123.6306	0.257	28	123.5984	0.265	30	122.8640	2.713	45	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Cd<6>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,3|C<3>,3|H<1>}	123.6980	0.000	1	123.6306	0.257	28	123.5984	0.265	30	122.8640	2.713	45	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Fe<6>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,3|C<3>,3|H<1>}	123.5620	0.000	1	123.6306	0.257	28	123.5984	0.265	30	122.8640	2.713	45	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Mn<6>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,3|C<3>,3|H<1>}	123.8310	0.198	2	123.6306	0.257	28	123.5984	0.265	30	122.8640	2.713	45	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ni<6>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,3|C<3>,3|H<1>}	123.9370	0.000	1	123.6306	0.257	28	123.5984	0.265	30	122.8640	2.713	45	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]C)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]C){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]N[6])(C[6]C[6]H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	122.5070	0.000	1	122.5070	0.000	1	122.2777	0.167	11	122.8640	2.713	45	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]Co)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]Co){1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|Co<5>,1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Co<5>,1|H<1>,3|C<3>}	121.3040	0.000	1	122.2317	0.654	3	122.2777	0.167	11	122.8640	2.713	45	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]Co)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]Co){1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|Co<6>,1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Co<6>,1|H<1>,3|C<3>}	122.6955	0.131	2	122.2317	0.654	3	122.2777	0.167	11	122.8640	2.713	45	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|C<4>,1|N<2>,1|O<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	122.4310	0.000	1	122.2647	0.050	7	122.2777	0.167	11	122.8640	2.713	45	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	122.0230	0.000	1	122.2647	0.050	7	122.2777	0.167	11	122.8640	2.713	45	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	122.2798	0.230	5	122.2647	0.050	7	122.2777	0.167	11	122.8640	2.713	45	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a,6a]N[6])(C[6]C[6]H){2|N<2>,3|C<3>,3|H<1>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(N[5a]C[5a]){1|N<2>,2|H<1>,4|C<3>}	123.5020	0.000	1	123.5020	0.000	1	123.5020	0.000	1	122.8640	2.713	45	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6]){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	117.6240	0.000	1	117.6240	0.000	1	118.0870	0.429	2	120.8050	4.535	37	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6]){2|H<1>,7|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6]C){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	118.5500	0.000	1	118.5500	0.000	1	118.0870	0.429	2	120.8050	4.535	37	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a]-3:C[6,6a]-3:N[6]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]N[6])	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]N[6]){1|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a]){1|H<1>,1|N<3>,2|C<4>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	118.6705	0.142	2	118.6705	0.020	2	118.8810	0.143	3	120.8050	4.535	37	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a]-3:C[6,6a]-3:N[6]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]N[6])	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])(N[6]C[6]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]N[6]){3|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])(N[6]C[6]H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|N<3>,4|C<3>}	119.3020	0.000	1	119.3020	0.000	1	118.8810	0.143	3	120.8050	4.535	37	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:C[5a,6a]-3:	C[6,6a,6a]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a,6a]C[6])(C[5a,6a]C[6,6a]N[5a])	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]2)(C[6]N[6]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a,6a]C[6])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a,6a]C[6])(C[5a,6a]C[6,6a]N[5a]){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]2)(C[6]N[6]O){1|C<4>,1|N<3>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a,6a]C[6])(N[5a]C[5a,6a]H){1|N<3>,1|O<1>,5|C<3>}	117.9850	0.146	2	117.9850	0.021	2	117.9850	0.021	2	120.8050	4.535	37	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:N[6]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[5a]C[5a]H)	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[5a]C[5a]H){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){1|N<3>,3|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|N<3>,3|H<1>}	118.5850	0.000	1	118.5850	0.000	1	118.5850	0.000	1	120.8050	4.535	37	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a,6]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a,6]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	122.1645	0.166	2	122.1645	0.028	2	122.3682	0.070	4	120.8050	4.535	37	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a,6]O)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a,6]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	122.6600	0.000	1	122.5720	0.015	2	122.3682	0.070	4	120.8050	4.535	37	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a,6]O)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a,6]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	122.4840	0.000	1	122.5720	0.015	2	122.3682	0.070	4	120.8050	4.535	37	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a,6a]C)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a,6a]C){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	121.9500	0.000	1	121.9500	0.000	1	122.1254	0.493	9	120.8050	4.535	37	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a,6a]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a,6a]H){1|H<1>,1|O<1>,5|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]O){1|O<1>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	120.5410	0.000	1	120.5410	0.000	1	122.1254	0.493	9	120.8050	4.535	37	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a,6a]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a,6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	122.7750	0.387	2	122.3769	0.160	7	122.1254	0.493	9	120.8050	4.535	37	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a,6a]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a,6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	122.2176	0.302	5	122.3769	0.160	7	122.1254	0.493	9	120.8050	4.535	37	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]C)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]C){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	119.2066	0.421	8	119.2066	0.177	8	119.2066	0.177	8	120.8050	4.535	37	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:N[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6,6a]C[6,6a]N[6])(N[5a]C[5a,6]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6,6a]C[6,6a]N[6])(N[5a]C[5a,6]H){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){4|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	120.8710	0.000	1	120.8710	0.000	1	120.8710	0.000	1	120.8050	4.535	37	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:N[6]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[6,6a]C[6,6a]N[6])(N[5a]C[5a,6a]Pt)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[5,6a]C[6])(N[6]C[6]Pt)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[5,6a]C[5,6a]C[5])	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[6,6a]C[6,6a]N[6])(N[5a]C[5a,6a]Pt){6|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[5,6a]C[6])(N[6]C[6]Pt){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[5,6a]C[5,6a]C[5]){1|Pt<4>,1|H<1>,1|O<1>,2|N<3>,4|C<3>}	124.7730	0.615	3	124.7730	0.378	3	124.7730	0.378	3	120.8050	4.535	37	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[6,6a,6a]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a,6a]C[6])(N[5a]C[5a,6a]H)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]N[5a])(C[6]N[6]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a,6a]C[6])(C[5a,6a]C[6,6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a,6a]C[6])(N[5a]C[5a,6a]H){1|N<3>,1|O<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]N[5a])(C[6]N[6]O){1|C<4>,1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a,6a]C[6])(C[5a,6a]C[6,6a]N[5a]){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	122.7755	0.626	2	122.7755	0.392	2	122.7755	0.392	2	120.8050	4.535	37	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6,6]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[6,6a]C[5a,6,6a]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5a,6a]C[5a,6a]2)(C[6,6]N[6,6]C[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[6a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a,6a](C[6,6a]C[5a,6,6a]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a]){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5a,6a]C[5a,6a]2)(C[6,6]N[6,6]C[6]){1|B<4>,1|H<1>,1|N<3>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[6a]C[5a,6a]C)(N[5a]C[5a,6a]H){5|C<3>}	117.9810	0.000	1	117.9810	0.000	1	117.9810	0.000	1	120.8050	4.535	37	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6]-3:C[6,6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6,6a]C[6,6a]C[6,6])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[6,6a]C[6,6a]C[6,6])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6]){3|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	121.4350	0.000	1	121.4350	0.000	1	121.4350	0.000	1	120.8050	4.535	37	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:4:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a])(C[6,6a]C[6,6a]C[6]){1|H<1>,2|O<2>,6|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6]OO){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	115.6200	0.061	2	115.6200	0.004	2	115.6200	0.004	2	115.6200	0.004	2	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:2:	C[5a,6a]-3:C[6,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6,6a]C[6,6a]C[6])(C[5a]N[5a]C)	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6,6a]C[6,6a]C[6])(C[5a]N[5a]C){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|S<2>,2|N<2>,4|H<1>}	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){2|C<4>,4|C<3>}	118.1130	0.000	1	118.1130	0.000	1	118.1130	0.000	1	122.1010	5.334	5	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:2:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	123.0980	0.696	4	123.0980	0.485	4	123.0980	0.485	4	122.1010	5.334	5	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])(C[6]O[6]HH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6]){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])(C[6]O[6]HH){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	118.8790	0.000	1	118.8790	0.000	1	119.0311	0.075	10	119.4778	1.316	12	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]N[6])(C[6]C[5,6]CC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6]){1|N<3>,2|H<1>,3|C<3>,4|C<4>}	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]N[6])(C[6]C[5,6]CC){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	119.2433	0.243	3	119.2433	0.059	3	119.0311	0.075	10	119.4778	1.316	12	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]N[6])(C[6]C[6,6]CC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6]){1|N<2>,2|H<1>,3|C<3>,4|C<4>}	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]N[6])(C[6]C[6,6]CC){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	119.1260	0.000	1	118.8800	0.053	5	119.0311	0.075	10	119.4778	1.316	12	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]N[6])(C[6]C[6,6]CC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6]){1|N<3>,2|H<1>,3|C<3>,4|C<4>}	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]N[6])(C[6]C[6,6]CC){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	118.8185	0.213	4	118.8800	0.053	5	119.0311	0.075	10	119.4778	1.316	12	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6]){1|N<3>,2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC){1|H<1>,1|N<3>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	119.3020	0.000	1	119.3020	0.000	1	119.0311	0.075	10	119.4778	1.316	12	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(C[5a]N[5a]H)	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6a]N[6])(C[6]C[6,6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(C[6a]C[6a]H)(N[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6a]N[6])(C[6]C[6,6]C[6]H){1|N<2>,1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|C<3>,1|C<4>,2|H<1>}	120.7560	0.000	1	120.7560	0.000	1	120.7560	0.000	1	119.4778	1.316	12	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a,6a]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]CH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a,6a]H){2|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]CH){2|C<4>,3|C<3>,5|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	122.6670	0.000	1	122.6670	0.000	1	122.6670	0.000	1	119.4778	1.316	12	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:4:3:	3:3:2:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6]-4:C[6,6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6])	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6]){1|N<2>,3|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	122.8885	0.057	2	122.8885	0.003	2	122.8885	0.003	2	122.8885	0.003	2	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:4:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6]-4:C[6,6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(C[5a]N[5a]H)	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6])	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(C[6a]C[6a]H)(N[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6]){1|C<4>,1|N<2>,1|N<3>,3|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|C<3>,1|C<4>,2|H<1>}	120.7630	0.000	1	120.9705	0.086	2	120.1673	1.978	3	119.6370	1.829	5	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:4:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6]-4:C[6,6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(C[5a]N[5a]H)	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6])	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(C[6a]C[6a]H)(N[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(C[5a]N[5a]H){1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6]){1|N<2>,1|N<3>,3|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|C<3>,1|C<4>,2|H<1>}	121.1780	0.000	1	120.9705	0.086	2	120.1673	1.978	3	119.6370	1.829	5	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:4:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6]-4:C[6,6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(C[5a]N[5a]H)	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6])	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(C[6a]C[6a]H)(N[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(C[5a]N[5a]H){1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6]){1|N<2>,1|N<3>,3|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|C<3>,1|C<4>,2|H<1>}	118.5610	0.000	1	118.5610	0.000	1	120.1673	1.978	3	119.6370	1.829	5	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:C[5,5a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[4,6]-4:C[6,6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[6,6a]C[6,6a]C[4,6])(C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])	C[6,6a](C[5a,6a]C[5a,6a]C[5,5a])(C[4,6]C[4,6]C[4]H)(C[6,6a]C[6a]C[6])	C[5a,6a](C[5a,6a]C[5,5a]C[6,6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H)	C[5a,6a](C[6,6a]C[6,6a]C[4,6])(C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a]){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	C[6,6a](C[5a,6a]C[5a,6a]C[5,5a])(C[4,6]C[4,6]C[4]H)(C[6,6a]C[6a]C[6]){1|N<3>,2|C<3>,4|C<4>,5|H<1>}	C[5a,6a](C[5a,6a]C[5,5a]C[6,6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,3|C<4>}	119.6320	0.000	1	119.6320	0.000	1	119.6320	0.000	1	119.6370	1.829	5	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[4,6]-4:C[6,6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[6,6a]C[6,6a]C[4,6])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[4,6]C[4,6]C[4]O)(C[6,6a]C[6a]C[6])	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[6,6a]C[6,6a]C[4,6])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[4,6]C[4,6]C[4]O)(C[6,6a]C[6a]C[6]){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	118.0510	0.000	1	118.0510	0.000	1	118.0510	0.000	1	119.6370	1.829	5	121.4430	3.976	190	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6,6a]-3:C[6a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6,6a]O[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6,6a](C[5a,6a]C[6a,6a]O[5a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]C[5a]){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6,6a]O[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5a,6,6a](C[5a,6a]C[6a,6a]O[5a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a]){1|H<1>,7|C<3>}	123.5050	0.095	2	123.5050	0.009	2	123.5050	0.009	2	123.5050	0.009	2	119.6049	6.698	8	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6a]B[6])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|B<4>,1|H<1>,7|C<3>}	C[6a,6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6a]B[6]){1|H<1>,1|N<3>,2|F<1>,5|C<3>}	117.1290	0.000	1	117.1290	0.000	1	117.1290	0.000	1	118.3048	1.263	6	119.6049	6.698	8	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6a]C[6])(C[6,6a]C[6a]C[6])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a]){2|C<4>,2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6a]C[6])(C[6,6a]C[6a]C[6]){1|Cl<1>,1|C<4>,4|C<3>,4|H<1>}	118.6240	0.000	1	118.5250	0.020	2	118.5250	0.020	2	118.3048	1.263	6	119.6049	6.698	8	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6a]C[6])(C[6,6a]C[6a]C[6])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a]){2|C<4>,2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|Cl<1>,1|N<3>,2|H<1>,4|C<3>}	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6a]C[6])(C[6,6a]C[6a]C[6]){1|C<4>,4|C<3>,5|H<1>}	118.4260	0.000	1	118.5250	0.020	2	118.5250	0.020	2	118.3048	1.263	6	119.6049	6.698	8	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a,6a]-3:C[5a,6a]-3:N[5a,6]-3:	C[5a,6a](C[5a,6,6a]C[6,6a,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6a]C[6,6a])	C[5a,6a](C[5a,6,6a]C[6,6a,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,8|C<3>}	C[6a,6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[5a,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6a]C[6,6a]){8|C<3>}	116.8680	0.000	1	116.8680	0.000	1	116.8680	0.000	1	118.3048	1.263	6	119.6049	6.698	8	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a]O)	C[6a,6a](C[5a,6a]C[5a,6,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a,6]N[5a]C[6])(C[6,6a]N[6a]C[6])	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a]O){1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5a,6,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a,6]N[5a]C[6])(C[6,6a]N[6a]C[6]){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	119.8340	0.000	1	119.8340	0.000	1	119.8340	0.000	1	118.3048	1.263	6	119.6049	6.698	8	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6,6a](C[5a,6a]C[6a,6a]C[5a])(C[6,6a]C[6,6]C[6a])(N[5a,6]C[5a]B[6])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C){1|B<4>,1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[5a,6,6a](C[5a,6a]C[6a,6a]C[5a])(C[6,6a]C[6,6]C[6a])(N[5a,6]C[5a]B[6]){1|H<1>,1|N<3>,2|F<1>,5|C<3>}	118.9480	0.000	1	118.9480	0.000	1	118.9480	0.000	1	118.3048	1.263	6	119.6049	6.698	8	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[6a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]S[5a])	C[6a,6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a,6a,6a]C[5a,6a]2)(C[5a,6a]C[6,6a]S[5a])	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]S[5a]){1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,2|S<2>,3|C<3>}	C[5a,6a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a,6a,6a]C[5a,6a]2)(C[5a,6a]C[6,6a]S[5a]){2|S<2>,4|C<3>}	121.0155	0.260	2	121.0155	0.067	2	121.0155	0.067	2	121.1820	1.067	17	119.5330	3.812	37	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[6a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5,6a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5,6a,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]O)	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a,6a]S[5a])(C[5,6a,6a]C[5,6a]2)	C[5a,6a](C[5a,6a,6a]C[5,6a,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a]){1|H<1>,1|O<2>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]O){1|P<4>,2|H<1>,4|C<3>}	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a,6a]S[5a])(C[5,6a,6a]C[5,6a]2){1|H<1>,1|P<4>,5|C<3>}	120.2220	0.000	1	120.2220	0.000	1	120.2220	0.000	1	121.1820	1.067	17	119.5330	3.812	37	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[6a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]S[5a])	C[6a,6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a]C[6a,6a]S[5a])2(C[5a,6a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]S[5a]){1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,2|S<2>,3|C<3>}	C[5a,6a,6a](C[5a,6a]C[6a,6a]S[5a])2(C[5a,6a,6a]C[5a,6a]2){2|S<2>,4|C<3>}	121.2744	1.106	14	121.2744	1.224	14	121.2744	1.224	14	121.1820	1.067	17	119.5330	3.812	37	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[3x6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[3x6a]C[6a])	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[3x6a]C[6a,6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,8|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[3x6a]C[6a]){1|H<1>,9|C<3>}	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[3x6a]C[6a,6a]2){1|H<1>,7|C<3>}	118.5860	0.000	1	118.5860	0.000	1	118.5860	0.000	1	118.1313	1.822	20	119.5330	3.812	37	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5,6a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5,6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a,6a])2(C[5,6a,6a]C[5,6a]2)	C[5a,6a](C[5a,6a,6a]C[5,6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a]){2|H<1>,7|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a,6a])2(C[5,6a,6a]C[5,6a]2){8|C<3>}	117.4975	0.169	2	117.4975	0.029	2	117.4975	0.029	2	118.1313	1.822	20	119.5330	3.812	37	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a,6a])2(C[5a,6a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a]){2|H<1>,7|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a,6a])2(C[5a,6a,6a]C[5a,6a]2){8|C<3>}	119.7978	1.810	4	119.7978	3.277	4	119.7978	3.277	4	118.1313	1.822	20	119.5330	3.812	37	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,8|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a]2){3|H<1>,5|C<3>}	117.4450	0.000	1	117.4450	0.000	1	117.4450	0.000	1	118.1313	1.822	20	119.5330	3.812	37	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a,6a]C[5a,6a]2)	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,8|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a,6a]C[5a,6a]2){1|H<1>,9|C<3>}	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,7|C<3>}	117.1920	0.215	2	117.3247	0.076	3	117.3247	0.076	3	118.1313	1.822	20	119.5330	3.812	37	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a,6a]C[5a,6a]2)	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,8|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a,6a]C[5a,6a]2){1|H<1>,9|C<3>}	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a]){8|C<3>}	117.5900	0.000	1	117.3247	0.076	3	117.3247	0.076	3	118.1313	1.822	20	119.5330	3.812	37	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	C[5a,6a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){2|C<4>,2|H<1>,4|C<3>}	117.3760	0.000	1	117.3760	0.000	1	117.6854	0.300	5	118.1313	1.822	20	119.5330	3.812	37	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a]H){1|C<2>,1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5a,6a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){1|C<2>,3|H<1>,4|C<3>}	118.3660	0.000	1	118.0360	0.091	3	117.6854	0.300	5	118.1313	1.822	20	119.5330	3.812	37	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5a,6a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){1|C<4>,3|H<1>,4|C<3>}	117.8710	0.139	2	118.0360	0.091	3	117.6854	0.300	5	118.1313	1.822	20	119.5330	3.812	37	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(C[5a]C[6a]O[5a])	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(C[5a]C[6a]O[5a]){1|H<1>,7|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H){3|O<2>,5|C<3>}	C[5a,6a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a]){2|H<1>,5|C<3>}	116.9430	0.000	1	116.9430	0.000	1	117.6854	0.300	5	118.1313	1.822	20	119.5330	3.812	37	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|O<1>,7|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[5a,6a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a,6a]C[6a]2){2|H<1>,2|O<1>,4|C<3>}	117.5230	0.000	1	117.5230	0.000	1	118.0020	2.604	4	118.1313	1.822	20	119.5330	3.812	37	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)	C[5a,6a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]H){1|Si<4>,1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H){2|H<1>,6|C<3>}	C[5a,6a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a,6a]C[6a]2){1|Si<4>,3|C<3>,4|H<1>}	119.2800	0.037	2	119.2800	0.001	2	118.0020	2.604	4	118.1313	1.822	20	119.5330	3.812	37	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]O[5a]C[6])	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)	C[5a,6a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a,6a]C[6a]O[5a])(C[6a,6a]C[6a]N[6a])	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]O[5a]C[6]){1|N<3>,1|O<2>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,5|C<3>}	C[5a,6a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a,6a]C[6a]O[5a])(C[6a,6a]C[6a]N[6a]){1|H<1>,6|C<3>}	115.9250	0.000	1	115.9250	0.000	1	118.0020	2.604	4	118.1313	1.822	20	119.5330	3.812	37	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(O[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(O[5a]C[5a]){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	124.2650	0.098	2	124.2650	0.010	2	124.2650	0.010	2	124.2650	0.010	2	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]N[6a])(S[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[5a,6a]N[6a])(N[6a]C[6a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]N[6a])(S[5a]C[5a]){1|N<2>,2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[5a,6a]N[6a])(N[6a]C[6a,6a]){1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	122.9882	0.093	4	122.9882	0.009	4	122.9882	0.009	4	122.9882	0.009	4	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:2:2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:O[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[6a]O[5a])(N[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[6a]C[6a])(O[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[6a]O[5a])(N[5a]C[5a]){1|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[6a]C[6a])(O[5a]C[5a]){1|H<1>,3|C<3>}	118.3340	0.757	2	118.3340	0.572	2	118.3340	0.572	2	118.3340	0.572	2	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[3x6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]S[5a])	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]S[5a]){1|H<1>,4|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]S[5a]){1|H<1>,4|C<3>}	121.2022	0.314	4	121.2022	0.099	4	121.2022	0.099	4	121.7024	2.768	53	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[6a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2)(N[5a]S[5a])	C[6a,6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2)(N[5a]S[5a]){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,1|S<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|H<1>,2|C<3>}	120.3126	1.051	8	120.3126	1.104	8	120.3126	1.104	8	121.7024	2.768	53	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:O[5a]-2:	C[3x6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[3x6a]C[6a])(O[5a]B[5a])	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[3x6a]C[6a])(O[5a]B[5a])	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[3x6a]C[6a])(O[5a]B[5a]){1|H<1>,6|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H){1|B<4>,1|H<1>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[3x6a]C[6a])(O[5a]B[5a]){1|H<1>,6|C<3>}	122.6485	0.090	2	122.6570	0.070	4	122.8048	0.122	6	121.7024	2.768	53	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:O[5a]-2:	C[3x6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[3x6a]C[6a])(O[5a]B[5a])	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[3x6a]C[6a])(O[5a]B[5a])	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[3x6a]C[6a])(O[5a]B[5a]){1|H<1>,6|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H){1|B<4>,1|H<1>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[3x6a]C[6a])(O[5a]B[5a]){1|P<4>,6|C<3>}	122.6655	0.448	2	122.6570	0.070	4	122.8048	0.122	6	121.7024	2.768	53	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:O[5a]-2:	C[3x6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[3x6a]C[6a])(O[5a]B[5a])	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]P)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[3x6a]C[6a])(O[5a]B[5a])	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[3x6a]C[6a])(O[5a]B[5a]){1|P<4>,6|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]P){1|B<4>,1|H<1>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[3x6a]C[6a])(O[5a]B[5a]){1|H<1>,6|C<3>}	123.1005	0.375	2	123.1005	0.141	2	122.8048	0.122	6	121.7024	2.768	53	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]B[5a])	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]B[5a])	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]B[5a]){1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|B<3>,1|O<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]B[5a]){1|H<1>,5|C<3>}	123.2570	0.112	2	122.6292	0.259	9	122.6205	0.231	10	121.7024	2.768	53	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]B[5a])	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]B[5a])	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]B[5a]){1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|B<4>,1|O<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]B[5a]){1|H<1>,6|C<3>}	122.3407	0.330	6	122.6292	0.259	9	122.6205	0.231	10	121.7024	2.768	53	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]B[5a])	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]B[5a])	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]B[5a]){1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|B<4>,1|O<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]B[5a]){1|P<4>,6|C<3>}	123.1050	0.000	1	122.6292	0.259	9	122.6205	0.231	10	121.7024	2.768	53	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]B[5a])	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]B[5a])	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]B[5a]){1|P<4>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P){1|B<4>,1|O<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]B[5a]){1|H<1>,6|C<3>}	122.5420	0.000	1	122.5420	0.000	1	122.6205	0.231	10	121.7024	2.768	53	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[3x6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]S[6a])(C[6a,6a]C[3x6a]C[6a])(S[5a]C[5a,6a])	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]S[5a])(S[6a]C[6a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]S[6a])(C[6a,6a]C[3x6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]S[5a])(S[6a]C[6a,6a]){1|H<1>,5|C<3>}	127.3180	0.000	1	127.3180	0.000	1	127.3180	0.000	1	121.7024	2.768	53	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]O[6a]O)(N[5a]N[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]O[6a]O)(N[5a]N[5a]){1|C<4>,2|C<3>}	120.9590	0.000	1	120.9590	0.000	1	121.1461	0.315	7	121.7024	2.768	53	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]O[5a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]O[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]O[5a]){1|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]O[5a]){1|H<1>,1|S<2>,3|C<3>}	122.1900	0.000	1	122.1900	0.000	1	121.1461	0.315	7	121.7024	2.768	53	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]S[5a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]S[5a]){1|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|S<2>,2|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a]){1|H<1>,1|S<2>,3|C<3>}	121.1953	0.248	3	121.1953	0.062	3	121.1461	0.315	7	121.7024	2.768	53	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]S[5a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]S[5a]){2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|H<1>,2|C<3>}	120.6440	0.363	2	120.6440	0.132	2	121.1461	0.315	7	121.7024	2.768	53	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(N[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(N[5a]C[5a]){2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,1|S<4>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|S<4>,3|C<3>}	120.6660	0.351	2	120.6660	0.123	2	120.6660	0.123	2	121.7024	2.768	53	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(N[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]Br)(S[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(N[5a]C[5a]){2|Br<1>,1|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,1|S<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]Br)(S[5a]C[5a]){1|Br<1>,1|O<2>,2|C<3>}	119.7410	0.000	1	119.7410	0.000	1	119.5082	0.131	5	121.7024	2.768	53	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(N[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(N[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|S<2>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	119.7520	0.287	2	119.7520	0.082	2	119.5082	0.131	5	121.7024	2.768	53	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(N[5a]S[5a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]O)(S[5a]S[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(N[5a]S[5a]){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,2|S<2>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]O)(S[5a]S[5a]){1|O<1>,2|C<3>}	119.1480	0.102	2	119.1480	0.010	2	119.5082	0.131	5	121.7024	2.768	53	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[6,6a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6,6a,6a]C[5a,6a])(C[5a,6a]C[6a,6a]N[5a])(N[5a]S[5a])	C[6a,6a](C[6,6a,6a]C[6,6a,6a]N[6,6a])(C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])	C[5a,6a](C[6a,6a]C[6,6a,6a]C[5a,6a])(C[5a,6a]C[6a,6a]N[5a])(N[5a]S[5a])	C[5a,6a](C[6a,6a]C[6,6a,6a]C[5a,6a])(C[5a,6a]C[6a,6a]N[5a])(N[5a]S[5a]){1|N<3>,1|S<2>,3|C<3>}	C[6a,6a](C[6,6a,6a]C[6,6a,6a]N[6,6a])(C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a]){1|B<3>,1|C<4>,1|N<2>,1|N<3>,1|S<2>,3|C<3>}	C[5a,6a](C[6a,6a]C[6,6a,6a]C[5a,6a])(C[5a,6a]C[6a,6a]N[5a])(N[5a]S[5a]){1|N<3>,1|S<2>,3|C<3>}	121.1985	0.196	2	121.1985	0.038	2	121.1985	0.038	2	121.7024	2.768	53	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(O[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(O[5a]C[5a]){1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){5|C<3>}	124.2060	0.000	1	124.2060	0.000	1	124.3088	0.411	4	121.7024	2.768	53	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(O[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a]N[6a]C[3])(N[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(O[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a]N[6a]C[3])(N[5a]C[5a]){1|H<1>,2|C<3>,3|C<4>}	123.4630	0.000	1	123.4630	0.000	1	124.3088	0.411	4	121.7024	2.768	53	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(O[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a]O[6a]O)(N[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(O[5a]C[5a]){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a]O[6a]O)(N[5a]C[5a]){3|C<3>}	124.6120	0.000	1	124.6120	0.000	1	124.3088	0.411	4	121.7024	2.768	53	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(O[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]N[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a]N[6a]O)(N[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(O[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]N[6a]2)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a]N[6a]O)(N[5a]C[5a]){2|C<3>,2|C<4>}	124.9540	0.000	1	124.9540	0.000	1	124.3088	0.411	4	121.7024	2.768	53	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(S[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(N[6a]N[6a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(S[5a]C[5a]){1|N<2>,2|C<3>,3|H<1>}	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(N[6a]N[6a]){1|H<1>,2|C<3>}	118.8580	0.000	1	118.8580	0.000	1	118.8580	0.000	1	121.7024	2.768	53	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(S[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(S[5a]C[5a]){2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	122.5080	0.157	2	122.5080	0.025	2	122.3923	0.052	3	121.7024	2.768	53	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(S[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[6a]O[6a]O)(N[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(S[5a]C[5a]){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[6a]O[6a]O)(N[5a]C[5a]){3|C<3>}	122.1610	0.000	1	122.1610	0.000	1	122.3923	0.052	3	121.7024	2.768	53	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[3x6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a,6]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a,6])	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a,6]C[5a,6]C[6])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a,6]){1|H<1>,6|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a,6]C[5a,6]C[6]){1|H<1>,7|C<3>}	122.6100	0.000	1	122.6100	0.000	1	122.6100	0.000	1	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[3x6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a])	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]C){1|H<1>,5|C<3>}	121.7940	0.000	1	121.7940	0.000	1	121.8936	0.854	7	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[3x6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a])	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]){1|H<1>,6|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,7|C<3>}	121.9030	0.318	2	121.9030	0.101	2	121.8936	0.854	7	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[3x6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a])	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]){2|H<1>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]H){1|H<1>,5|C<3>}	121.9137	1.292	4	121.9137	1.670	4	121.8936	0.854	7	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[3x6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a,6a])	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a]){1|H<1>,7|C<3>}	122.8130	0.000	1	122.8130	0.000	1	122.8130	0.000	1	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(N[5a]N[5a,6a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(N[5a]N[5a,6a]){1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2){1|N<3>,3|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,5|C<3>}	121.9070	0.000	1	121.9070	0.000	1	121.9070	0.000	1	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a,6a]C[6a,6a]2)(N[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]N[6a,6a]C[6a])(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a,6a]C[6a,6a]2)(N[5a]C[5a]){1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]N[6a,6a]C[6a])(C[6a,6a]C[6a]2){2|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,5|C<3>}	120.1470	0.000	1	120.1470	0.000	1	120.1470	0.000	1	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]N[5a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]N[5a]){1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,1|N<3>,4|C<3>}	122.5100	0.000	1	122.5100	0.000	1	122.5100	0.000	1	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5,5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5,5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5,5a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5,5a]C[5,5a]C[5,6])	C[5a,6a](C[5a,6a]C[6a,6a]N[5,5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5,5a]){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5,5a]C[5,5a]C[5,6]){1|H<1>,8|C<3>}	121.6730	0.000	1	121.6730	0.000	1	121.6730	0.000	1	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a,5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,5a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,5a]C[5a,5a]B[5a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,5a]){1|B<4>,1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,5a]C[5a,5a]B[5a]){1|H<1>,1|N<3>,2|F<1>,5|C<3>}	121.1170	0.000	1	121.1170	0.000	1	121.1170	0.000	1	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a,6]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6]C[5a,6]C[6])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6]){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6]C[5a,6]C[6]){2|H<1>,7|C<3>}	122.0425	0.650	2	122.1937	0.280	3	122.1937	0.280	3	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a,6]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6]C[5a,6]C[6])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6]){1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6]C[5a,6]C[6]){1|H<1>,7|C<3>}	122.4960	0.000	1	122.1937	0.280	3	122.1937	0.280	3	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a,6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	121.6610	0.000	1	121.4946	1.061	5	121.4946	1.061	5	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a,6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a]){1|H<1>,7|C<3>}	123.1150	0.000	1	121.4946	1.061	5	121.4946	1.061	5	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a,6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a]){2|H<1>,6|C<3>}	120.8990	0.513	3	121.4946	1.061	5	121.4946	1.061	5	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C){1|H<1>,5|C<3>}	122.0385	0.943	2	122.0385	0.888	2	121.7601	0.318	116	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]){1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,7|C<3>}	121.9260	0.421	66	121.9260	0.177	66	121.7601	0.318	116	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]){2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]H){1|H<1>,5|C<3>}	121.5105	0.727	13	121.5627	0.477	15	121.7601	0.318	116	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]){3|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]H){2|H<1>,4|C<3>}	121.9025	0.262	2	121.5627	0.477	15	121.7601	0.318	116	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C){1|H<1>,1|N<2>,4|C<3>}	121.9044	0.267	10	121.8778	0.104	15	121.7601	0.318	116	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C){1|N<2>,2|H<1>,3|C<3>}	121.8246	0.444	5	121.8778	0.104	15	121.7601	0.318	116	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,1|N<2>,6|C<3>}	121.6052	0.474	6	121.6052	0.225	6	121.7601	0.318	116	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]){1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]H){1|H<1>,1|N<2>,4|C<3>}	120.7801	0.253	10	120.8036	0.064	11	121.7601	0.318	116	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]){1|N<2>,3|C<3>,3|H<1>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]H){1|N<2>,2|H<1>,3|C<3>}	121.0390	0.000	1	120.8036	0.064	11	121.7601	0.318	116	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]Ir)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]){1|Ir<6>,1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]Ir){1|H<1>,1|N<2>,4|C<3>}	122.9010	0.000	1	122.9010	0.000	1	121.7601	0.318	116	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]){1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<3>,6|C<3>}	121.3605	0.144	2	121.3605	0.021	2	121.3605	0.021	2	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,7|C<3>}	120.6140	0.000	1	120.9923	0.184	3	120.4488	1.304	4	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,7|C<3>}	121.1815	0.391	2	120.9923	0.184	3	120.4488	1.304	4	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,6|C<3>}	118.8180	0.000	1	118.8180	0.000	1	120.4488	1.304	4	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:N[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6a]C[5a,6a]C[6a])(N[6a]C[6a]C)	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6a]C[5a,6a]C[6a])(N[6a]C[6a]C){1|H<1>,1|O<1>,4|C<3>}	119.7510	0.000	1	119.7510	0.000	1	119.7510	0.000	1	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:O[5a]-2:	C[3x6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[3x6a]C[6a])(O[5a]C[5a,6a])	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[3x6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[3x6a]C[6a])(O[5a]C[5a,6a]){1|H<1>,6|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[3x6a]C[6a]){2|H<1>,6|C<3>}	125.0020	0.000	1	125.0020	0.000	1	125.0020	0.000	1	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:O[5a]-2:	C[3x6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[3x6a]C[6a])(O[5a]C[5a,6a])	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[3x6a]C[6a])(O[5a]C[5a,6a]){1|H<1>,6|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H){1|C<4>,6|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a]){1|H<1>,7|C<3>}	125.3798	0.612	4	125.3798	0.375	4	125.3798	0.375	4	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(O[5a]C[5a,6a])	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(O[5a]C[5a,6a]){1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2){3|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	124.7770	0.143	3	124.7770	0.020	3	124.7770	0.020	3	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]C[5a,6a])	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[5,6a]C[5,6a]C[5])	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]C[5a,6a]){1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[5,6a]C[5,6a]C[5]){3|C<4>,5|C<3>}	123.9650	0.000	1	123.9650	0.000	1	123.9650	0.000	1	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]C[5a,6a])	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]C[5a,6a]){2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	124.7600	0.243	2	124.7600	0.059	2	124.1655	0.745	11	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]C[5a,6a])	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]C[5a,6a]){1|H<1>,1|O<2>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[6a]C[6a]O){1|C<4>,1|O<2>,4|C<3>}	125.3140	0.000	1	125.3140	0.000	1	124.1655	0.745	11	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]C[5a,6a])	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]C[5a,6a]){1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[6a]N[6a]H){1|H<1>,4|C<3>}	123.4385	0.101	2	123.1958	0.086	4	124.1655	0.745	11	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]C[5a,6a])	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]C[5a,6a]){1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[6a]N[6a]H){1|H<1>,4|C<3>}	122.9530	0.113	2	123.1958	0.086	4	124.1655	0.745	11	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]C[5a,6a])	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]C[5a,6a]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[6a]N[6a]O){1|H<1>,5|C<3>}	124.9800	0.000	1	124.9800	0.000	1	124.1655	0.745	11	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]C[5a,6a])	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[6a]O[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]C[5a,6a]){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[6a]O[6a]O){1|H<1>,4|C<3>}	124.4077	0.500	3	124.4077	0.250	3	124.1655	0.745	11	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(O[5a]C[5a,6])	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6]C[5a,6]C[6])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(O[5a]C[5a,6]){1|H<1>,2|C<4>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6]C[5a,6]C[6]){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	125.7430	0.000	1	125.7430	0.000	1	125.7430	0.000	1	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]C[5a]){1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,5|C<3>}	125.6960	0.000	1	125.6960	0.000	1	125.6960	0.000	1	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]B[5a])	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]B[5a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]B[5a]){1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|B<3>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]B[5a]C[6a]){1|H<1>,7|C<3>}	124.9290	0.000	1	124.2255	0.990	2	124.2255	0.990	2	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]B[5a])	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]B[5a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]B[5a]){1|H<1>,7|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|B<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]B[5a]C[6a]){1|H<1>,8|C<3>}	123.5220	0.000	1	124.2255	0.990	2	124.2255	0.990	2	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:O[5a]-2:	C[6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]C[5a])	C[6a,6a](C[6a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]C[5a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C){1|H<1>,1|N<3>,3|C<3>}	126.7330	0.000	1	126.9500	0.094	2	126.9500	0.094	2	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:O[5a]-2:	C[6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]C[5a])	C[6a,6a](C[6a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]C[5a]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C){1|N<2>,2|H<1>,3|C<3>}	127.1670	0.000	1	126.9500	0.094	2	126.9500	0.094	2	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:S[5a]-2:	C[3x6a]-3:C[5a,6a]-3:C[6a]-3:	B[6a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]B[6a,6a]C[5a,6a])(C[6a,6a]C[3x6a]C[6a])(S[5a]C[5a,6a])	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](B[6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]S[5a])	C[5a,6a](C[5a,6a]B[6a,6a]C[5a,6a])(C[6a,6a]C[3x6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,6|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H){1|B<3>,1|H<1>,5|C<3>}	C[5a,6a](B[6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]S[5a]){8|C<3>}	124.9735	0.086	2	124.9735	0.007	2	124.9735	0.007	2	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:S[5a]-2:	C[3x6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(S[5a]C[5a,6a])	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]S[5a])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(S[5a]C[5a,6a]){2|H<1>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]S[5a])(C[6a]C[6a,6a]H){1|H<1>,5|C<3>}	121.9930	0.000	1	121.9930	0.000	1	121.9930	0.000	1	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:S[5a]-2:	C[3x6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[3x6a]C[6a])(S[5a]C[5a])	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]2)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[3x6a]C[6a])(S[5a]C[5a]){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]2){1|C<4>,7|C<3>}	124.1260	0.000	1	124.1260	0.000	1	123.8085	0.202	2	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:S[5a]-2:	C[3x6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[3x6a]C[6a])(S[5a]C[5a])	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[3x6a]C[6a])(S[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H){1|C<4>,5|C<3>}	123.4910	0.000	1	123.4910	0.000	1	123.8085	0.202	2	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,5a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a,6a]C[5a,6a]C[6a,6a])(S[5a]C[5a,5a])	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])2(C[6a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[6a,6a]S[5a])(C[5a,5a]C[5a,5a]2)	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a,6a]C[5a,6a]C[6a,6a])(S[5a]C[5a,5a]){2|S<2>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])2(C[6a,6a]C[5a,6a]2){2|S<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[6a,6a]S[5a])(C[5a,5a]C[5a,5a]2){2|S<2>,6|C<3>}	122.9829	1.179	24	122.9829	1.391	24	122.9829	1.391	24	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(S[5a]C[5a,6a])	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(S[5a]C[5a,6a]){1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	121.7700	0.139	2	121.7700	0.019	2	121.7700	0.019	2	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a,6a]C[6a,6a]2)(S[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a,6a]C[6a,6a]2)(S[5a]C[5a]){2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2){2|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	122.4060	0.000	1	122.4060	0.000	1	122.2000	0.085	2	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a,6a]C[6a,6a]2)(S[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a,6a]C[6a,6a]2)(S[5a]C[5a]){2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2){1|F<1>,1|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|F<1>,3|C<3>}	121.9940	0.000	1	121.9940	0.000	1	122.2000	0.085	2	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:B[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]B[6a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a,5a])	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a,6a]S[5a])(B[6a]C[6a]N[6a])	C[5a,6a](C[5a,6a]C[5a,5a]B[6a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a,5a]){1|H<1>,1|N<3>,1|S<2>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|B<3>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a,6a]S[5a])(B[6a]C[6a]N[6a]){1|H<1>,6|C<3>}	124.0280	0.000	1	124.0280	0.000	1	124.0280	0.000	1	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a,5a])	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a,6a]S[5a])(C[6a]N[6a]C)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a,5a]){1|C<4>,1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a,6a]S[5a])(C[6a]N[6a]C){4|C<3>}	120.6140	0.000	1	120.6140	0.000	1	120.6140	0.000	1	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:B[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]B[6a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a,6a])	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]B[6a])(C[5a,6a]C[6a,6a]S[5a])(B[6a]C[6a]N[6a])	C[5a,6a](C[5a,6a]C[5a,6a]B[6a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a,6a]){1|B<3>,1|H<1>,1|N<3>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|B<3>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]B[6a])(C[5a,6a]C[6a,6a]S[5a])(B[6a]C[6a]N[6a]){1|H<1>,1|N<3>,6|C<3>}	124.7815	1.107	2	124.7815	1.225	2	124.7557	0.614	3	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:B[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]B[6a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a,6a])	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]S[5a])(B[6a]C[6a]N[6a])	C[5a,6a](C[5a,6a]C[5a,6a]B[6a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|B<3>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]S[5a])(B[6a]C[6a]N[6a]){1|C<4>,1|H<1>,6|C<3>}	124.7040	0.000	1	124.7040	0.000	1	124.7557	0.614	3	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a]){3|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6,6a]H){1|B<3>,1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H){1|S<2>,2|H<1>,3|C<3>}	122.7610	0.140	2	122.7610	0.020	2	122.8750	0.848	15	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a]){1|Br<1>,2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H){1|Br<1>,1|H<1>,1|S<2>,3|C<3>}	123.8435	0.093	2	123.6727	0.371	6	122.8750	0.848	15	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	124.2295	0.159	2	123.6727	0.371	6	122.8750	0.848	15	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a]){3|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H){1|S<2>,2|H<1>,3|C<3>}	122.9450	0.286	2	123.6727	0.371	6	122.8750	0.848	15	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a]){2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C){1|S<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H){1|S<2>,2|H<1>,3|C<3>}	121.4925	0.005	2	121.4925	0.000	2	122.8750	0.848	15	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]F)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a]){1|C<4>,1|F<1>,1|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]F){1|S<2>,2|F<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	121.8020	0.000	1	122.0647	0.079	3	122.8750	0.848	15	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]F)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a]){1|F<1>,2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]F){1|S<2>,2|F<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H){1|S<2>,2|H<1>,3|C<3>}	122.1960	0.235	2	122.0647	0.079	3	122.8750	0.848	15	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a]){3|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H){1|S<2>,2|H<1>,3|C<3>}	123.1940	0.040	2	123.1940	0.002	2	122.8750	0.848	15	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a,6a])	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,7|C<3>}	123.3593	0.286	10	123.3593	0.082	10	123.4445	0.153	11	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a,6a])	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a]){2|H<1>,6|C<3>}	124.2960	0.000	1	124.2960	0.000	1	123.4445	0.153	11	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a,6a])	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a,6a]){2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	122.0780	0.000	1	122.0780	0.000	1	122.0780	0.000	1	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]2)(C[6a]O[6a]O)	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a]){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]2)(C[6a]O[6a]O){6|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]H){2|H<1>,4|C<3>}	121.5800	0.000	1	121.5800	0.000	1	122.5030	1.704	2	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<2>,1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,4|C<3>}	123.4260	0.000	1	123.4260	0.000	1	122.5030	1.704	2	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:S[5a]-2:	C[6a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]2)(S[5a]C[5a])	C[6a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[3x6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]2)(S[5a]C[5a]){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[3x6a]C[6a]){1|H<1>,1|S<2>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H){1|S<2>,2|H<1>,3|C<3>}	122.4657	0.216	6	122.4657	0.047	6	122.4657	0.047	6	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a,6a]N[5a])(N[5a]C[5a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a,6a]N[5a])(N[5a]C[5a]H){1|C<4>,1|O<2>,4|C<3>}	122.8970	0.000	1	122.8970	0.000	1	122.8970	0.000	1	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]){2|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	120.6310	0.000	1	120.6310	0.000	1	120.7851	0.347	7	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]){3|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	121.0373	0.337	3	121.0373	0.114	3	120.7851	0.347	7	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]O[6a]O)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]O[6a]O){1|C<4>,2|C<3>}	120.1800	0.000	1	120.0845	0.018	2	120.7851	0.347	7	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]O[6a]O)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){1|Cl<1>,1|I<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]O[6a]O){3|C<3>}	119.9890	0.000	1	120.0845	0.018	2	120.7851	0.347	7	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]O[5a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]O[5a]){2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[6a]O[5a])(C[6a]C[6a]H){5|C<3>}	121.5840	0.000	1	121.5840	0.000	1	120.7851	0.347	7	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(N[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(N[5a]C[5a]){1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]H){1|H<1>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	120.8580	0.000	1	120.8580	0.000	1	120.8580	0.000	1	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]){2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]H){1|H<1>,4|C<3>}	119.5050	0.000	1	119.5050	0.000	1	119.7560	0.126	2	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]O[6a]O)(N[5a]N[5a]C)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]O[6a]O)(N[5a]N[5a]C){2|C<3>}	120.0070	0.000	1	120.0070	0.000	1	119.7560	0.126	2	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]N[6a]S)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6]){1|H<1>,1|N<3>,1|S<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]N[6a]S){2|H<1>,4|C<3>}	120.4000	0.000	1	120.4000	0.000	1	119.7415	0.867	2	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]O[6a]O)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6]){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]O[6a]O){1|H<1>,4|C<3>}	119.0830	0.000	1	119.0830	0.000	1	119.7415	0.867	2	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5,5a]C[6a])(O[5a]C[5,5a])	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5,5a]C[5,5a]C[5,5])(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5,5a]C[6a])(O[5a]C[5,5a]){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5,5a]C[5,5a]C[5,5])(C[6a]C[6a]2){1|H<1>,8|C<3>}	125.6805	0.073	2	125.6805	0.005	2	125.6805	0.005	2	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]C)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6]){1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]C){1|O<1>,1|O<2>,4|C<3>}	125.0985	0.011	2	125.0985	0.000	2	124.8365	0.103	4	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6]){2|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	124.7030	0.000	1	124.5745	0.033	2	124.8365	0.103	4	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6]){2|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	124.4460	0.000	1	124.5745	0.033	2	124.8365	0.103	4	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(O[5a]C[5a,6a])	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a,6a]C[5a,6a]2)2	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(O[5a]C[5a,6a]){1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a,6a]C[5a,6a]2)2{1|O<2>,7|C<3>}	124.4017	0.405	4	124.4017	0.164	4	124.4017	0.164	4	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>}	123.8130	0.000	1	124.4920	0.365	3	124.9769	0.533	21	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,3|C<3>}	124.9710	0.000	1	124.4920	0.365	3	124.9769	0.533	21	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a]){1|C<4>,3|C<3>,3|H<1>}	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	124.6920	0.000	1	124.4920	0.365	3	124.9769	0.533	21	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a]){2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,5|C<3>}	126.1610	0.000	1	126.1610	0.000	1	124.9769	0.533	21	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<4>,1|O<2>,2|C<3>}	125.1770	0.000	1	125.1770	0.000	1	124.9769	0.533	21	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a]){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	125.8730	0.000	1	125.0277	0.185	6	124.9769	0.533	21	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a]){1|C<4>,1|S<3>,2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	124.8130	0.000	1	125.0277	0.185	6	124.9769	0.533	21	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a]){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	124.8157	0.120	3	125.0277	0.185	6	124.9769	0.533	21	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a]){1|S<3>,2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|H<1>,3|C<3>}	125.0330	0.000	1	125.0277	0.185	6	124.9769	0.533	21	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]O)(C[6a]N[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a]){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]O)(C[6a]N[6a]H){3|C<3>}	123.0090	0.000	1	123.0090	0.000	1	124.9769	0.533	21	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]O[6a]O)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]O[6a]O){1|C<4>,4|C<3>}	125.6653	0.588	3	125.1923	0.372	8	124.9769	0.533	21	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]O[6a]O)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a]){1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]O[6a]O){1|N<3>,4|C<3>}	124.2150	0.000	1	125.1923	0.372	8	124.9769	0.533	21	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]O[6a]O)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a]){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]O[6a]O){5|C<3>}	124.7410	0.000	1	125.1923	0.372	8	124.9769	0.533	21	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]O[6a]O)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a]){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]O[6a]O){5|C<3>}	125.0730	0.000	1	125.1923	0.372	8	124.9769	0.533	21	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]O[6a]O)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a]){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]O[6a]O){1|H<1>,4|C<3>}	125.2565	0.245	2	125.1923	0.372	8	124.9769	0.533	21	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]H)(C[6a]O[6a]O)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a]){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]H)(C[6a]O[6a]O){3|C<3>}	124.9880	0.000	1	124.9880	0.000	1	124.9769	0.533	21	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(O[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(O[5a]C[5a]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){1|H<1>,1|O<1>,4|C<3>}	125.2740	0.000	1	125.2740	0.000	1	124.6895	0.683	2	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(O[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(O[5a]C[5a]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|O<1>,3|C<3>}	124.1050	0.000	1	124.1050	0.000	1	124.6895	0.683	2	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[5,6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[5,6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2){2|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	122.0170	0.000	1	122.0170	0.000	1	122.0170	0.000	1	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[3x6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a,6a]C[5a])(S[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])2(C[3x6a]C[3x6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)	C[5a,6a](C[6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a,6a]C[5a])(S[5a]C[5a]){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])2(C[3x6a]C[3x6a]2){8|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H){1|C<4>,5|C<3>}	122.4303	0.241	16	122.3986	0.067	18	122.3986	0.067	18	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[3x6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a,6a]C[5a])(S[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])2(C[3x6a]C[3x6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)	C[5a,6a](C[6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a,6a]C[5a])(S[5a]C[5a]){1|S<2>,2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])2(C[3x6a]C[3x6a]2){8|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H){1|H<1>,5|C<3>}	122.1450	0.359	2	122.3986	0.067	18	122.3986	0.067	18	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[5a])(S[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])2(C[6a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)	C[5a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[5a])(S[5a]C[5a]){1|S<2>,2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])2(C[6a,6a]C[5a,6a]2){2|S<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H){1|S<2>,2|H<1>,3|C<3>}	123.0502	0.263	6	123.0851	0.058	8	123.0851	0.058	8	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[5a])(S[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])2(C[6a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)	C[5a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[5a])(S[5a]C[5a]){1|Si<4>,1|H<1>,1|S<2>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])2(C[6a,6a]C[5a,6a]2){2|S<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H){1|Si<4>,1|H<1>,1|S<2>,3|C<3>}	123.1900	0.175	2	123.0851	0.058	8	123.0851	0.058	8	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])2(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])2(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	122.6240	0.133	2	122.6240	0.018	2	122.0252	0.489	4	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])2(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){1|Cl<1>,1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])2(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	121.4265	0.120	2	121.4265	0.014	2	122.0252	0.489	4	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:B[6a]-3:C[5a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]B[6a]C[5a])(S[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(B[6a]C[6a]N[6a])(C[5a]C[5a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]B[6a]C[5a])(S[5a]C[5a]){1|N<3>,3|C<3>,3|H<1>}	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H){1|B<3>,1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(B[6a]C[6a]N[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,4|C<3>}	122.9310	0.000	1	122.9310	0.000	1	122.9310	0.000	1	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(S[5a]C[5a,6a])	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]S[5a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(S[5a]C[5a,6a]){1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]S[5a])(C[5a,6a]C[5a,6a]2){1|H<1>,1|N<3>,6|C<3>}	123.9520	0.424	11	123.9520	0.180	11	123.9520	0.180	11	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	122.8785	0.481	4	122.8785	0.231	4	122.5479	0.389	23	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|H<1>,3|C<3>}	122.6240	0.000	1	123.4385	1.327	2	122.5479	0.389	23	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){1|Si<4>,2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|Si<4>,1|H<1>,2|C<3>}	124.2530	0.000	1	123.4385	1.327	2	122.5479	0.389	23	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){1|C<4>,3|C<3>,3|H<1>}	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	123.1060	0.000	1	122.5308	0.127	6	122.5479	0.389	23	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){3|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	122.4158	0.244	5	122.5308	0.127	6	122.5479	0.389	23	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]N[6a]C)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){1|Br<1>,1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]N[6a]C){1|Br<1>,2|C<3>}	122.5850	0.066	2	122.5850	0.004	2	122.5479	0.389	23	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){1|C<4>,3|C<3>,3|H<1>}	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	122.6060	0.000	1	122.6310	0.010	3	122.5479	0.389	23	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){3|C<3>,4|H<1>}	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	122.5440	0.000	1	122.6310	0.010	3	122.5479	0.389	23	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){3|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	122.7430	0.000	1	122.6310	0.010	3	122.5479	0.389	23	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){1|C<4>,3|C<3>,3|H<1>}	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	122.5100	0.000	1	122.3955	0.008	4	122.5479	0.389	23	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){3|C<3>,4|H<1>}	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	122.3573	0.052	3	122.3955	0.008	4	122.5479	0.389	23	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){1|O<2>,3|C<3>,3|H<1>}	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]O){3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	121.3190	0.000	1	121.3190	0.000	1	122.5479	0.389	23	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]N[6a]C)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H){1|H<1>,1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]N[6a]C){1|H<1>,2|C<3>}	121.0610	0.000	1	121.0610	0.000	1	122.5479	0.389	23	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[6a]C[6a]Br)(C[5a]C[5a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){1|Br<1>,2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[6a]C[6a]Br)(C[5a]C[5a]H){1|H<1>,3|C<3>}	123.4400	0.000	1	123.4400	0.000	1	123.4400	0.000	1	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[6,6a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:B[6a]-3:C[5a]-3:	C[5a,6a](C[6a,6a]C[6,6a,6a]C[5a,6a])(C[5a,6a]B[6a]C[5a])(S[5a]C[5a])	C[6a,6a](C[6,6a,6a]C[6,6a,6a]N[6,6a])(C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(B[6a]N[6,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[6a,6a]C[6,6a,6a]C[5a,6a])(C[5a,6a]B[6a]C[5a])(S[5a]C[5a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a,6a](C[6,6a,6a]C[6,6a,6a]N[6,6a])(C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a]){1|B<3>,1|C<4>,1|N<2>,1|N<3>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(B[6a]N[6,6a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,4|C<3>}	122.3540	0.212	2	122.3540	0.045	2	122.3540	0.045	2	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[6,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:B[6a]-3:C[5a]-3:	C[5a,6a](C[6a,6a]C[6,6a,6a]C[6a])(C[5a,6a]B[6a]C[5a])(S[5a]C[5a])	C[6a,6a](C[6,6a,6a]C[6,6a,6a]N[6,6a])(C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(B[6a]N[6,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[6a,6a]C[6,6a,6a]C[6a])(C[5a,6a]B[6a]C[5a])(S[5a]C[5a]){1|N<3>,3|C<3>,3|H<1>}	C[6a,6a](C[6,6a,6a]C[6,6a,6a]N[6,6a])(C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H){1|B<3>,1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(B[6a]N[6,6a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,4|C<3>}	124.1280	0.294	4	124.1280	0.087	4	124.1280	0.087	4	122.6775	2.020	363	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-4:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]B[5a])	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]B[5a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]B[5a]){2|H<1>,7|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|B<4>,1|N<4>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]B[5a]C[6a]H){1|H<1>,8|C<3>}	122.0820	0.000	1	122.0820	0.000	1	122.0820	0.000	1	122.0820	0.000	1	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:2:	3:2:2:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[5a,6a]-3:O[5a]-2:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]N[6a]O[5a])	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(O[5a]C[5a,6a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]N[6a]O[5a]){1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|O<2>,2|H<1>,2|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(O[5a]C[5a,6a])(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	116.5900	0.000	1	116.5900	0.000	1	116.5900	0.000	1	115.5846	0.483	5	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:2:	3:2:2:	C[6a,6a]-3:C[5a,6]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[5a,6a]-3:S[5a]-2:N[6a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])	C[6a,6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a,6])(S[5a]C[5a,6])(N[6a]C[6a])	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a]){2|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a,6])(S[5a]C[5a,6])(N[6a]C[6a]){1|C<3>,1|N<2>,3|C<4>}	115.0410	0.000	1	115.0410	0.000	1	115.0410	0.000	1	115.5846	0.483	5	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:2:	3:2:2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[6a]C[6a])(S[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C){1|C<4>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[6a]C[6a])(S[5a]C[5a]){1|C<3>,1|N<2>,3|C<4>}	115.2260	0.552	2	115.4307	0.278	3	115.4307	0.278	3	115.5846	0.483	5	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:2:	3:2:2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[6a]C[6a])(S[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C){1|C<4>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<3>,1|N<2>,1|O<1>,1|S<2>,2|C<4>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[6a]C[6a])(S[5a]C[5a]){1|C<3>,1|N<2>,3|C<4>}	115.8400	0.000	1	115.4307	0.278	3	115.4307	0.278	3	115.5846	0.483	5	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]N[6a])	C[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a,6a]2)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]N[6a]){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a,6a]2)(N[6a]C[6a]){1|H<1>,1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a,6a]){1|N<2>,5|C<3>}	118.5395	0.026	2	118.5395	0.001	2	118.5395	0.001	2	119.3135	1.615	19	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]N[6a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5a,6a]N[6a])(N[6a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[6a,6a]C[5a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]N[6a])(C[5a]C[5a]H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5a,6a]N[6a])(N[6a]C[5a,6a]){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[6a,6a]C[5a])(S[5a]C[5a]){1|N<2>,2|H<1>,3|C<3>}	119.9920	0.235	2	119.9920	0.055	2	119.8948	0.419	12	119.3135	1.615	19	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]N[6a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5a,6a]N[6a])(N[6a]C[6a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[6a,6a]C[5a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]N[6a])(C[5a]C[5a]H){1|C<4>,1|N<2>,1|S<2>,2|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5a,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[6a,6a]C[5a])(S[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	119.7740	0.272	6	119.8753	0.503	10	119.8948	0.419	12	119.3135	1.615	19	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]N[6a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5a,6a]N[6a])(N[6a]C[6a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[6a,6a]C[5a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]N[6a])(C[5a]C[5a]H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5a,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[6a,6a]C[5a])(S[5a]C[5a]){1|N<2>,2|H<1>,3|C<3>}	120.0273	1.156	4	119.8753	0.503	10	119.8948	0.419	12	119.3135	1.615	19	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(S[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H){1|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a]){1|I<1>,1|S<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(S[5a]C[5a]){1|I<1>,1|N<2>,2|H<1>,3|C<3>}	118.6230	0.000	1	118.6230	0.000	1	118.6230	0.000	1	119.3135	1.615	19	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:O[6a]-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]O[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(O[6a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)(O[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]O[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(O[6a]C[6a]){1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)(O[5a]C[5a]){1|C<3>,2|H<1>,2|O<2>}	117.7670	0.000	1	117.7670	0.000	1	117.5155	0.127	2	119.3135	1.615	19	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:O[6a]-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]O[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(O[6a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]O)(O[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]O[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(O[6a]C[6a]){1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]O)(O[5a]C[5a]){1|C<3>,2|H<1>,2|O<2>}	117.2640	0.000	1	117.2640	0.000	1	117.5155	0.127	2	119.3135	1.615	19	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:O[6a]-2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]O[6a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(O[6a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]O[6a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C){2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(O[6a]C[6a]){1|C<4>,1|H<1>,1|O<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	116.3470	0.000	1	116.3470	0.000	1	116.3470	0.000	1	119.3135	1.615	19	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	121.1390	0.000	1	121.1390	0.000	1	121.1390	0.000	1	119.3135	1.615	19	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])	C[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a]){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]){1|N<3>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]H){1|H<1>,1|N<2>,5|C<3>}	120.6414	0.611	12	120.6414	0.373	12	120.6414	0.373	12	121.1148	0.982	28	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[6a,6a]-3:O[6a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a,6])(C[6a,6a]C[6a,6a]O[6a])(C[5a,6]N[5a,6,6]N[6])	C[6a,6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a,6a]O[6a])(O[6a]C[6a,6a])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a,6])(C[6a,6a]C[6a,6a]O[6a])(C[5a,6]N[5a,6,6]N[6])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a,6])(C[6a,6a]C[6a,6a]O[6a])(C[5a,6]N[5a,6,6]N[6]){1|B<4>,1|N<2>,2|O<2>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a,6a]O[6a])(O[6a]C[6a,6a]){1|N<2>,1|N<3>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a,6])(C[6a,6a]C[6a,6a]O[6a])(C[5a,6]N[5a,6,6]N[6]){1|B<4>,1|N<2>,2|O<2>,3|C<3>}	120.3290	0.161	4	120.3290	0.026	4	120.3290	0.026	4	121.1148	0.982	28	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a]){1|H<1>,1|N<2>,2|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	121.1465	0.151	2	121.1465	0.023	2	121.1465	0.023	2	121.1148	0.982	28	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[5a]C[5a,6a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[5a]C[5a,6a]H){1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|O<2>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	121.2955	0.067	2	121.2955	0.005	2	121.2955	0.005	2	121.1148	0.982	28	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:O[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]O[6a])(N[5a]C[5a,6a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(O[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]O[6a])(N[5a]C[5a,6a]H){1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(O[6a]C[6a]){1|O<1>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	119.7720	0.000	1	119.7720	0.000	1	119.7720	0.000	1	121.1148	0.982	28	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H){1|C<4>,1|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){4|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	122.1610	0.410	2	122.1610	0.168	2	122.1610	0.168	2	121.1148	0.982	28	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H){2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){4|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	122.4940	0.456	3	122.4940	0.208	3	122.4460	0.148	4	121.1148	0.982	28	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<2>,3|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|H<1>}	122.3020	0.000	1	122.3020	0.000	1	122.4460	0.148	4	121.1148	0.982	28	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]N[6a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(N[6a,6a]C[6a]2)(N[6a]C[6a,6a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[5a,6a](C[6a,6a]N[6a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C){1|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(N[6a,6a]C[6a]2)(N[6a]C[6a,6a]){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	123.4380	0.000	1	123.4380	0.000	1	123.4380	0.000	1	121.1148	0.982	28	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:2:2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[6a]S[5a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[6a]N[6a])(S[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[6a]S[5a])(C[5a]C[5a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<3>,1|S<2>,2|N<2>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[6a]N[6a])(S[5a]C[5a]){2|C<3>,2|H<1>}	115.5610	0.000	1	115.5610	0.000	1	115.5610	0.000	1	120.0462	6.319	5	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:2:2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:O[6a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]O[6a])(N[5a]C[6a]N[5a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a]N[5a])(O[6a]C[6a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]O[6a])(N[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a]N[5a])(O[6a]C[6a]){1|O<1>,3|C<3>}	121.1675	0.207	4	121.1675	0.043	4	121.1675	0.043	4	120.0462	6.319	5	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])	C[6a,6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a,6])(O[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a]){1|C<4>,2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a,6])(O[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	116.9620	0.000	1	116.9620	0.000	1	116.9620	0.000	1	117.6906	1.036	46	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a])(C[6a,6a]C[6a,6a]2){1|H<1>,7|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2){1|O<2>,2|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	118.0890	0.580	4	118.0890	0.337	4	118.0890	0.337	4	117.6906	1.036	46	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a,6a]C[6a,6a]2){2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2){1|S<2>,2|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	118.2950	0.000	1	118.2950	0.000	1	117.7735	0.544	2	117.6906	1.036	46	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(S[5a]C[5a,6a])(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[5a,6a]C[5a,6a]2){1|C<4>,1|H<1>,1|O<1>,2|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(S[5a]C[5a,6a])(C[6a]N[6a]O){1|C<4>,4|C<3>}	117.2520	0.000	1	117.2520	0.000	1	117.7735	0.544	2	117.6906	1.036	46	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a])	C[6a,6a](C[5a,6a]C[5a,6a]2)2(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a]){1|H<1>,7|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]2)2(C[6a,6a]C[6a]2){2|H<1>,2|O<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	117.4539	0.262	8	117.4539	0.069	8	117.4539	0.069	8	117.6906	1.036	46	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])	C[6a,6a](C[5a,6a]C[5a,6a]2)2(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a]){1|H<1>,7|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]2)2(C[6a,6a]C[6a]2){2|H<1>,2|S<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	117.1710	0.194	2	117.1710	0.038	2	117.1710	0.038	2	117.6906	1.036	46	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a]){1|C<4>,2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	115.9775	0.474	2	115.9775	0.225	2	117.3330	1.177	11	117.6906	1.036	46	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a]){1|C<2>,1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C){1|C<2>,1|H<1>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	117.2255	0.377	2	117.2255	0.142	2	117.3330	1.177	11	117.6906	1.036	46	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a]){2|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	117.3657	0.220	6	117.3657	0.049	6	117.3330	1.177	11	117.6906	1.036	46	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a]){1|O<2>,2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]O){1|H<1>,4|C<3>}	120.0630	0.000	1	120.0630	0.000	1	117.3330	1.177	11	117.6906	1.036	46	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a]){2|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|S<2>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	117.4150	0.021	3	117.4150	0.000	3	117.4150	0.000	3	117.6906	1.036	46	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(S[5a]C[5a,6a])(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a]){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(S[5a]C[5a,6a])(C[6a]N[6a]O){1|C<4>,4|C<3>}	117.9710	0.488	2	117.9710	0.238	2	117.9710	0.238	2	117.6906	1.036	46	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:2:3:	C[6a,6a]-3:C[5a,6]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])	C[6a,6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a,6])(O[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a]){1|O<1>,2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a,6])(O[5a]C[5a,6])(C[6a]C[6a]H){1|H<1>,4|C<3>}	118.8810	0.000	1	118.8810	0.000	1	118.8810	0.000	1	117.6906	1.036	46	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:2:3:	C[6a,6a]-3:C[5a,6a]-3:C[5,5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[5,5a]C[5,5a]2)	C[6a,6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5,5a])(S[5a]C[5,5a])(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[5,5a]C[5,5a]2){1|C<4>,2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|S<2>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5,5a])(S[5a]C[5,5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	117.6290	0.000	1	117.6873	0.003	3	117.6873	0.003	3	117.6906	1.036	46	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:2:3:	C[6a,6a]-3:C[5a,6a]-3:C[5,5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[5,5a]C[5,5a]2)	C[6a,6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5,5a])(S[5a]C[5,5a])(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[5,5a]C[5,5a]2){1|P<4>,2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|S<2>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5,5a])(S[5a]C[5,5a])(C[6a]C[6a]H){1|H<1>,1|P<4>,3|C<3>}	117.7165	0.037	2	117.6873	0.003	3	117.6873	0.003	3	117.6906	1.036	46	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:2:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a,5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[5a,5a]C[5a,5a]2)	C[6a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a,6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[5a,5a]C[5a,5a]2){1|N<3>,2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|S<2>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a,6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	117.8350	1.011	4	117.8350	1.021	4	117.8350	1.021	4	117.6906	1.036	46	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:2:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2){2|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,1|S<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	117.5837	0.634	4	117.5837	0.402	4	117.5837	0.402	4	117.6906	1.036	46	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:2:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a,6]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]N[6])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6])(O[5a]B[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]N[6]){1|F<1>,1|N<3>,2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|B<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6])(O[5a]B[5a,6])(C[6a]C[6a]H){1|F<1>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	122.4610	0.000	1	122.4610	0.000	1	122.4610	0.000	1	117.6906	1.036	46	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[3x6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[3x6a]C[6a])	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[3x6a]C[6a])(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[3x6a]C[6a]){2|H<1>,6|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,1|O<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[3x6a]C[6a])(O[5a]C[5a,6a]){1|H<1>,6|C<3>}	120.1680	0.000	1	120.1680	0.000	1	120.1680	0.000	1	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a]){1|S<2>,2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|S<2>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a,6a]){6|C<3>}	117.7145	0.721	2	117.7145	0.519	2	117.7145	0.519	2	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|F<1>,1|H<1>,1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,6|C<3>}	116.8890	0.088	2	116.7490	0.034	10	116.8961	0.269	11	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|S<2>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,6|C<3>}	116.7140	0.189	8	116.7490	0.034	10	116.8961	0.269	11	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a]){2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|S<2>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,6|C<3>}	118.3670	0.000	1	118.3670	0.000	1	116.8961	0.269	11	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6]C[5a,6]C[6])	C[6a,6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(O[5a]C[5a,6])	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6]C[5a,6]C[6]){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(O[5a]C[5a,6]){1|H<1>,2|C<4>,4|C<3>}	119.5090	0.000	1	119.5090	0.000	1	119.5090	0.000	1	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[5a]C[6a])(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a]){2|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[5a]C[6a])(O[5a]C[5a,6a]){1|H<1>,6|C<3>}	120.2410	0.000	1	120.2410	0.000	1	120.2410	0.000	1	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a]){1|C<4>,2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(N[6a]C[6a]){1|O<2>,4|C<3>}	116.9630	0.000	1	116.9630	0.000	1	116.9630	0.000	1	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5,6a]O[5a])	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[5])(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5,6a]O[5a]){2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[5])(O[5a]C[5a,6a]){1|N<3>,1|O<1>,5|C<3>}	119.9270	0.000	1	119.9270	0.000	1	119.9270	0.000	1	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a,6a]C[6a,6a]2)(C[5a]C[6a]N[5a])	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a,6a]C[6a,6a]2)(C[5a]C[6a]N[5a]){7|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,5|C<3>}	116.5910	0.000	1	116.5910	0.000	1	116.1850	0.330	2	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a,6a]C[6a,6a]2)(C[5a]C[6a]N[5a])	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]N[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a,6a]C[6a,6a]2)(C[5a]C[6a]N[5a]){1|C<4>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]N[5a]C)(N[6a]C[6a]){1|C<4>,3|C<3>}	115.7790	0.000	1	115.7790	0.000	1	116.1850	0.330	2	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]S)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]O[5a])(C[5a,6a]C[6a,6a]C[5a])(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]S){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|O<2>,1|S<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]O[5a])(C[5a,6a]C[6a,6a]C[5a])(O[5a]C[5a]){1|C<4>,1|S<2>,4|C<3>}	119.4140	0.272	2	119.4140	0.074	2	119.4140	0.074	2	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[6a,6a]C[5a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]H){1|S<2>,2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H){1|S<2>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[6a,6a]C[5a])(S[5a]C[5a]){2|H<1>,4|C<3>}	120.5075	0.305	2	120.5075	0.093	2	120.5075	0.093	2	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,1|N<3>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]N[5a]){1|H<1>,1|N<3>,5|C<3>}	120.8800	0.000	1	120.8800	0.000	1	120.8800	0.000	1	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]C[5a]){1|H<1>,6|C<3>}	119.5940	0.000	1	119.5940	0.000	1	119.5940	0.000	1	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|S<2>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	119.4040	0.000	1	119.4115	0.000	2	119.4115	0.000	2	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]H){2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a]){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	119.4190	0.000	1	119.4115	0.000	2	119.4115	0.000	2	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:N[5,5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5,5a]C[5,5a]C[5,6])	C[6a,6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5,5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5,5a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5,5a]C[5,5a]C[5,6]){1|H<1>,8|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5,5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5,5a]){1|C<4>,1|H<1>,5|C<3>}	123.1980	0.000	1	123.1980	0.000	1	123.1980	0.000	1	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:N[5a,5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,5a]C[5a,5a]B[5a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,5a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,5a]C[5a,5a]B[5a]){1|H<1>,1|N<3>,2|F<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|B<4>,1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,5a]){1|B<4>,1|H<1>,5|C<3>}	123.6100	0.000	1	123.6100	0.000	1	123.6100	0.000	1	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:N[5a,6]-3:	C[5a,6a]-3:C[3x6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a,6]C[5a,6]C[6])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a,6])(C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a,6])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a,6]C[5a,6]C[6]){1|H<1>,7|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a,6])(C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a,6]){1|H<1>,6|C<3>}	120.7290	0.000	1	120.7290	0.000	1	120.7290	0.000	1	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:N[5a,6]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6]C[5a,6]C[6])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6]C[5a,6]C[6]){1|H<1>,7|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6]){1|H<1>,6|C<3>}	120.7840	0.000	1	122.2310	1.665	3	122.2310	1.665	3	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:N[5a,6]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6]C[5a,6]C[6])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6]C[5a,6]C[6]){2|H<1>,7|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6]){1|C<4>,1|H<1>,5|C<3>}	122.9545	0.435	2	122.2310	1.665	3	122.2310	1.665	3	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:N[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	121.8900	0.000	1	122.8666	2.033	5	122.8666	2.033	5	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:N[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a]){1|H<1>,7|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	120.9770	0.000	1	122.8666	2.033	5	122.8666	2.033	5	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:N[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a]){2|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	123.8220	0.660	3	122.8666	2.033	5	122.8666	2.033	5	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[3x6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]C)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]C){1|H<1>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,5|C<3>}	123.0120	0.000	1	123.0120	0.000	1	123.2651	0.728	7	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[3x6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]C[6a])	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,7|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]){1|H<1>,6|C<3>}	123.1200	0.255	2	123.1200	0.065	2	123.2651	0.728	7	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[3x6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]H)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]H){1|H<1>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]){2|H<1>,5|C<3>}	123.4010	1.172	4	123.4010	1.374	4	123.2651	0.728	7	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C){1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,5|C<3>}	122.6170	0.508	2	122.6170	0.258	2	123.0367	0.283	116	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C){1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,2|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	122.2722	0.247	10	122.3731	0.078	15	123.0367	0.283	116	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C){1|N<2>,2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,2|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	122.5748	0.242	5	122.3731	0.078	15	123.0367	0.283	116	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,7|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]){1|H<1>,6|C<3>}	123.0080	0.389	66	123.0080	0.151	66	123.0367	0.283	116	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,1|N<2>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|H<1>,2|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]){1|H<1>,1|N<2>,5|C<3>}	123.0697	0.298	6	123.0697	0.089	6	123.0367	0.283	116	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]H){1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]){2|H<1>,5|C<3>}	123.6931	0.315	13	123.6024	0.155	15	123.0367	0.283	116	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]H){2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]){3|H<1>,4|C<3>}	123.0130	0.413	2	123.6024	0.155	15	123.0367	0.283	116	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]H){1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){2|H<1>,2|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]){1|N<2>,2|H<1>,4|C<3>}	123.5988	0.402	10	123.5395	0.184	11	123.0367	0.283	116	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){2|H<1>,2|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]){1|N<2>,3|C<3>,3|H<1>}	122.9460	0.000	1	123.5395	0.184	11	123.0367	0.283	116	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]Ir)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]Ir){1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|Ir<6>,1|H<1>,2|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]){1|Ir<6>,1|H<1>,1|N<2>,4|C<3>}	121.5070	0.000	1	121.5070	0.000	1	123.0367	0.283	116	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]B[5a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]B[5a])	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]B[5a]C[6a]){1|H<1>,7|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|B<3>,1|O<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]B[5a]){1|H<1>,6|C<3>}	121.2540	0.000	1	120.6310	0.776	2	120.6310	0.776	2	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]B[5a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]B[5a])	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]B[5a]C[6a]){1|H<1>,8|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|B<4>,1|O<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]B[5a]){1|H<1>,7|C<3>}	120.0080	0.000	1	120.6310	0.776	2	120.6310	0.776	2	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[3x6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a]){1|H<1>,7|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	120.9050	0.000	1	120.9050	0.000	1	120.9050	0.000	1	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[6a,6a]-3:C[3x6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:O[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])	C[6a,6a](C[6a,6a]C[5a,6a]C[3x6a])(C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[3x6a]C[6a])(O[5a]C[5a,6a])	C[5a,6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a]){1|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[3x6a])(C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]2){1|O<2>,9|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[3x6a]C[6a])(O[5a]C[5a,6a]){1|H<1>,6|C<3>}	119.5107	0.696	3	119.5107	0.485	3	119.5107	0.485	3	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])2(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)(S[5a]C[5a])	C[5a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H){2|C<2>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])2(C[6a,6a]C[6a,6a]C[6a]){1|N<3>,1|O<1>,1|S<2>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)(S[5a]C[5a]){1|C<2>,2|C<3>,2|H<1>}	118.7140	0.358	2	118.7140	0.128	2	118.7140	0.128	2	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[3x6a]-3:	C[5a,6a]-3:C[6a,6a]-3:S[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]2)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]2)(C[3x6a]C[3x6a]2)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[3x6a]C[6a])(S[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]2){1|C<4>,7|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]2)(C[3x6a]C[3x6a]2){1|S<2>,9|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[3x6a]C[6a])(S[5a]C[5a]){1|C<4>,1|H<1>,5|C<3>}	118.7510	0.000	1	118.7510	0.000	1	118.7385	0.000	2	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[3x6a]-3:	C[5a,6a]-3:C[6a,6a]-3:S[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]2)(C[3x6a]C[3x6a]2)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[3x6a]C[6a])(S[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H){1|C<4>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]2)(C[3x6a]C[3x6a]2){1|H<1>,1|S<2>,8|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[3x6a]C[6a])(S[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	118.7260	0.000	1	118.7260	0.000	1	118.7385	0.000	2	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[3x6a]-3:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[3x6a]C[3x6a]2)	C[5a,6a](C[6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a,6a]C[5a])(S[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H){1|C<4>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[3x6a]C[3x6a]2){1|S<2>,2|H<1>,7|C<3>}	C[5a,6a](C[6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a,6a]C[5a])(S[5a]C[5a]){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	119.4155	0.310	15	119.4114	0.084	17	119.4114	0.084	17	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[3x6a]-3:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[3x6a]C[3x6a]2)	C[5a,6a](C[6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a,6a]C[5a])(S[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H){1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[3x6a]C[3x6a]2){1|S<2>,2|H<1>,7|C<3>}	C[5a,6a](C[6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a,6a]C[5a])(S[5a]C[5a]){1|S<2>,2|H<1>,4|C<3>}	119.3805	0.066	2	119.4114	0.084	17	119.4114	0.084	17	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5,6a]N[5a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5,6a]C[5,6a]N[5])(N[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5,6a]N[5a])(C[5a]C[5a]C){1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5,6a]C[5,6a]N[5])(N[5a]C[5a]){1|C<4>,5|C<3>}	117.0730	0.000	1	117.0730	0.000	1	120.0930	18.241	2	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5,6a]N[5a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5,6a]C[5,6a]N[5])(N[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5,6a]N[5a])(C[5a]C[5a]H){1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5,6a]C[5,6a]N[5])(N[5a]C[5a]){1|H<1>,5|C<3>}	123.1130	0.000	1	123.1130	0.000	1	120.0930	18.241	2	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C){1|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|Br<1>,2|C<3>,2|C<4>}	118.5820	0.000	1	119.0095	1.470	4	118.7934	0.498	47	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C){1|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	118.6820	0.000	1	119.0095	1.470	4	118.7934	0.498	47	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C){2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,4|C<3>}	119.3870	1.959	2	119.0095	1.470	4	118.7934	0.498	47	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[5])	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[5]){3|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	118.3680	0.000	1	118.3680	0.000	1	118.7934	0.498	47	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a]){1|N<3>,2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,1|N<3>,3|C<3>}	118.6315	0.122	2	118.6315	0.015	2	118.7934	0.498	47	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]N)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<2>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]N){1|H<1>,1|N<2>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,4|C<3>}	117.4580	0.000	1	117.4580	0.000	1	118.7934	0.498	47	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a]){1|C<4>,2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	118.7800	0.000	1	119.2050	0.367	3	118.7934	0.498	47	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a]){1|N<3>,2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,2|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,1|N<3>,3|C<3>}	119.8990	0.000	1	119.2050	0.367	3	118.7934	0.498	47	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a]){2|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,4|C<3>}	118.9360	0.000	1	119.2050	0.367	3	118.7934	0.498	47	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H){2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){2|H<1>,3|C<3>}	118.5510	0.000	1	118.5510	0.000	1	118.7934	0.498	47	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|Br<1>,1|O<2>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	119.5970	0.000	1	119.4670	0.050	6	118.7934	0.498	47	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,3|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	119.3610	0.000	1	119.4670	0.050	6	118.7934	0.498	47	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H){2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|Br<1>,1|O<2>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|Br<1>,1|H<1>,3|C<3>}	119.7820	0.000	1	119.4670	0.050	6	118.7934	0.498	47	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H){2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,3|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){2|H<1>,3|C<3>}	119.3540	0.206	3	119.4670	0.050	6	118.7934	0.498	47	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N){2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|O<2>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,1|N<2>,3|C<3>}	119.1130	0.000	1	119.3890	1.018	3	118.7934	0.498	47	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N){2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,1|N<3>,3|C<3>}	119.5270	1.386	2	119.3890	1.018	3	118.7934	0.498	47	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S){1|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,1|S<2>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	118.5125	0.316	2	118.5781	0.308	26	118.7934	0.498	47	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S){1|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,1|S<3>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<4>,1|H<1>,1|S<3>,2|C<3>}	118.8208	0.167	4	118.5781	0.308	26	118.7934	0.498	47	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S){1|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,1|S<4>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	117.8874	0.191	8	118.5781	0.308	26	118.7934	0.498	47	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S){2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,1|S<2>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,1|S<2>,3|C<3>}	119.0528	0.281	4	118.5781	0.308	26	118.7934	0.498	47	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S){2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,1|S<3>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,1|S<3>,3|C<3>}	118.9265	0.396	8	118.5781	0.308	26	118.7934	0.498	47	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)(S[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H){1|Si<4>,1|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|S<2>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)(S[5a]C[5a]){1|Si<4>,2|C<3>,2|H<1>}	120.0630	0.000	1	120.0630	0.000	1	119.2937	0.614	6	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H){2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|S<2>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	119.5553	0.463	3	119.5553	0.214	3	119.2937	0.614	6	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H){3|C<3>,3|H<1>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,1|S<2>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	119.0810	0.000	1	119.0810	0.000	1	119.2937	0.614	6	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]O[6a]O)(S[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){1|S<2>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]O[6a]O)(S[5a]C[5a]){2|C<3>,2|H<1>}	117.9520	0.000	1	117.9520	0.000	1	119.2937	0.614	6	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C){1|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[5a]H)(N[6a]C[6a]){1|C<4>,1|O<2>,3|C<3>}	115.9815	0.508	2	115.9815	0.258	2	116.6858	1.739	9	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[5a]H)(N[6a]N[6a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C){1|N<2>,2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[5a]H)(N[6a]N[6a]){4|C<3>}	114.4740	0.000	1	114.4740	0.000	1	116.6858	1.739	9	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]N[5a]C)(N[6a]C[6a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C){1|C<4>,1|N<2>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a]){1|C<4>,1|N<3>,2|N<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]N[5a]C)(N[6a]C[6a]){1|C<4>,3|C<3>}	116.2450	0.000	1	116.2450	0.000	1	116.6858	1.739	9	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C){1|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	118.2020	0.000	1	118.2020	0.000	1	116.6858	1.739	9	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C){1|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	118.3430	0.000	1	117.8350	0.249	3	116.6858	1.739	9	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C){1|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,5|C<3>}	117.5810	0.332	2	117.8350	0.249	3	116.6858	1.739	9	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]N[5a]C)(N[6a]C[6a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C){1|C<4>,1|N<2>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]C[6a]){1|C<4>,1|N<3>,2|N<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]N[5a]C)(N[6a]C[6a]){1|C<4>,3|C<3>}	115.7830	0.000	1	115.7830	0.000	1	116.6858	1.739	9	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[6a,6a]C[6,6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)	C[6a,6a](C[6,6a,6a]C[6,6a]N[6,6a])(C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6,6a]H)(O[5a]C[5a])	C[5a,6a](C[6a,6a]C[6,6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H){1|N<3>,2|C<3>,3|H<1>}	C[6a,6a](C[6,6a,6a]C[6,6a]N[6,6a])(C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6,6a]H)(O[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	119.0060	0.000	1	119.0060	0.000	1	119.0060	0.000	1	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a,6a]N[5a])(N[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]H){1|C<4>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|N<2>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a,6a]N[5a])(N[5a]C[5a]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	124.2360	0.000	1	124.2360	0.000	1	124.2360	0.000	1	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:O[6a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6]O[6a])(N[5a]C[5a,6]C)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a,6]C[5a,6]C[6])(O[6a]C[6a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6]O[6a])(N[5a]C[5a,6]C){1|C<4>,1|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a,6]C[5a,6]C[6])(O[6a]C[6a]){2|C<3>,2|O<1>,3|C<4>}	121.7410	0.000	1	121.2330	0.516	2	121.2330	0.516	2	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:O[6a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6]O[6a])(N[5a]C[5a,6]C)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a,6]C[5a,6]C[6])(O[6a]C[6a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6]O[6a])(N[5a]C[5a,6]C){1|H<1>,2|C<4>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a,6]C[5a,6]C[6])(O[6a]C[6a]){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	120.7250	0.000	1	121.2330	0.516	2	121.2330	0.516	2	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(N[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(N[5a]C[5a]H){2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	121.5680	0.000	1	121.5680	0.000	1	121.0515	0.534	2	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(N[5a]N[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(N[6a]C[6a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(N[5a]N[5a]C){2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,2|C<3>}	120.5350	0.000	1	120.5350	0.000	1	121.0515	0.534	2	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(N[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(N[5a]C[5a]H){1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,2|H<1>,4|C<3>}	123.5350	0.000	1	123.8385	0.184	2	123.8385	0.184	2	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(N[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(N[5a]C[5a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,3|C<3>,3|H<1>}	124.1420	0.000	1	123.8385	0.184	2	123.8385	0.184	2	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	121.6980	0.725	5	121.6980	0.526	5	121.6030	0.621	8	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]O)(N[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	121.4800	0.000	1	121.4800	0.000	1	121.6030	0.621	8	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]H)(N[5a]N[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a]){1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){2|H<1>,2|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]H)(N[5a]N[5a]){3|C<3>}	120.3970	0.000	1	120.3970	0.000	1	121.6030	0.621	8	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]N[6a])(N[5a]N[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|F<1>,2|C<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]N[6a])(N[5a]N[5a]){1|H<1>,4|C<3>}	122.4570	0.000	1	122.4570	0.000	1	121.6030	0.621	8	121.0282	5.507	269	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a,5a]H)	C[5a,6a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a]){1|B<4>,1|N<3>,3|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a,5a]H){1|B<4>,1|H<1>,5|C<3>}	121.3790	0.000	1	121.3790	0.000	1	121.3790	0.000	1	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,5a]C[6a])	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,8|C<3>}	C[6a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,2|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,5a]C[6a]){1|H<1>,1|N<3>,7|C<3>}	119.8820	0.000	1	119.8820	0.000	1	119.8820	0.000	1	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a,6])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2){1|C<4>,1|H<1>,7|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a,6])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	117.7025	0.111	2	117.7025	0.012	2	117.7025	0.012	2	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[3x6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]2)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a]){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]2)(C[6a]N[6a]O){1|C<4>,1|N<3>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a,6a]H){1|N<3>,1|O<1>,5|C<3>}	117.4980	0.000	1	117.4980	0.000	1	117.4980	0.000	1	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2){1|C<4>,1|H<1>,7|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2){1|N<3>,2|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	118.4000	0.247	2	118.4000	0.061	2	119.7010	2.327	5	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2){1|C<4>,1|H<1>,7|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2){1|N<3>,2|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	122.0160	0.000	1	120.5683	1.803	3	119.7010	2.327	5	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2){1|C<4>,2|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2){1|N<3>,2|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	119.8445	0.680	2	120.5683	1.803	3	119.7010	2.327	5	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]S)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|S<4>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a,6a]2){1|H<1>,1|N<3>,8|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]S){1|H<1>,6|C<3>}	119.1910	0.000	1	119.1910	0.000	1	119.1910	0.000	1	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2){1|C<4>,1|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	117.7170	0.000	1	117.7170	0.000	1	118.4680	1.128	2	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2){1|C<4>,2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2){1|N<3>,2|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	119.2190	0.000	1	119.2190	0.000	1	118.4680	1.128	2	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|N<3>,3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]H){1|H<1>,6|C<3>}	120.2880	0.221	2	120.2880	0.049	2	120.2880	0.049	2	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C){1|H<1>,6|C<3>}	119.4905	0.132	2	119.4905	0.017	2	119.8122	0.516	6	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,8|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[6a]){1|H<1>,8|C<3>}	118.8090	0.000	1	118.8090	0.000	1	119.8122	0.516	6	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C){1|H<1>,6|C<3>}	119.9850	0.000	1	120.4385	0.411	2	119.8122	0.516	6	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C){1|H<1>,6|C<3>}	120.8920	0.000	1	120.4385	0.411	2	119.8122	0.516	6	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){2|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[6a]){1|H<1>,8|C<3>}	120.2060	0.000	1	120.2060	0.000	1	119.8122	0.516	6	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,8|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,8|C<3>}	118.0840	0.000	1	118.0840	0.000	1	118.0840	0.000	1	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]O[6a])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]O[6a]O)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|O<1>,1|O<2>,7|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]O[6a]){1|N<3>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]O[6a]O){1|H<1>,5|C<3>}	116.2750	0.000	1	116.2750	0.000	1	116.2750	0.000	1	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6]N[5a,6]C[6])	C[6a,6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a,6]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6]N[5a,6]C[6]){1|B<4>,1|H<1>,7|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a,6]C[6a]){1|B<4>,1|H<1>,7|C<3>}	119.0580	0.431	2	119.0580	0.186	2	120.0303	2.929	3	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6]N[5a,6]N[6])	C[6a,6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a,6]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6]N[5a,6]N[6]){1|B<4>,1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a,6]C[6a]){1|B<4>,1|H<1>,1|N<2>,6|C<3>}	121.9750	0.000	1	121.9750	0.000	1	120.0303	2.929	3	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])	C[6a,6a](C[5a,6a]C[5a,6a]2)2(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a]){2|H<1>,7|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]2)2(C[6a,6a]C[6a]2){2|H<1>,2|N<3>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	118.1685	0.313	2	118.1685	0.098	2	118.1685	0.098	2	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a]){2|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|S<2>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a]){2|H<1>,6|C<3>}	131.2200	0.000	1	131.2200	0.000	1	131.2200	0.000	1	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a,6]C[6a]){1|B<4>,2|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	117.9840	0.000	1	117.9840	0.000	1	117.9840	0.000	1	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a]){2|H<1>,7|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	117.8250	0.000	1	117.8250	0.000	1	119.1889	1.306	10	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a]){3|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	118.0115	0.211	2	118.0115	0.045	2	119.1889	1.306	10	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a]){2|C<4>,2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){1|H<1>,4|C<3>}	120.2800	0.000	2	120.2800	0.000	2	119.1889	1.306	10	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a]){3|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	119.2800	0.000	1	119.2800	0.000	1	119.1889	1.306	10	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a]){3|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|C<4>,6|C<3>}	118.5060	0.000	1	118.5060	0.000	1	119.1889	1.306	10	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a]){1|C<4>,3|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){1|H<1>,4|C<3>}	119.3230	0.000	1	119.3230	0.000	1	119.1889	1.306	10	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a]){1|S<4>,3|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|H<1>,4|C<3>}	120.1860	1.488	2	120.1860	2.213	2	119.1889	1.306	10	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]H)(N[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a]){1|C<4>,3|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]H)(N[6a]C[6a]C){1|O<1>,4|C<3>}	118.5435	0.059	2	118.5435	0.003	2	118.5435	0.003	2	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5,6a]N[5a])	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5,6a]C[5,6a]2)(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5,6a]N[5a]){3|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5,6a]C[5,6a]2)(N[5a]C[5a,6a]H){1|C<4>,6|C<3>}	119.9000	0.000	1	119.9000	0.000	1	119.9000	0.000	1	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a]){1|C<4>,3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	119.7850	0.000	1	119.7850	0.000	1	118.9260	0.854	3	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a]){4|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	119.0450	0.000	1	119.0450	0.000	1	118.9260	0.854	3	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a]){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]O){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	117.9480	0.000	1	117.9480	0.000	1	118.9260	0.854	3	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[3x6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(C[5a]C[5a,6a]O)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(C[5a]C[5a,6a]O){2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|O<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a,6a]H){1|H<1>,1|O<1>,5|C<3>}	121.2250	0.000	1	121.2250	0.000	1	121.2250	0.000	1	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a,6a]C[6a,6a]2)(C[5a]S[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]O[6a])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]S[5a]N)(C[6a]O[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a,6a]C[6a,6a]2)(C[5a]S[5a]C){1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]O[6a]){1|S<2>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]S[5a]N)(C[6a]O[6a]O){3|C<3>}	116.1950	0.000	1	116.1950	0.000	1	116.1950	0.000	1	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[6a,6a]C[6a,6a]2)(C[5a]C[5a,6]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[6a,6a]C[6a,6a]2)(C[5a]C[5a,6]H){1|B<4>,1|C<4>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2){1|N<3>,4|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]C){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	121.2730	0.244	5	121.2730	0.060	5	121.2730	0.060	5	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a,5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,5a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a,5a]H){1|B<4>,1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a]){1|B<4>,1|N<3>,3|H<1>,4|C<3>}	121.3050	0.000	1	121.3050	0.000	1	121.3050	0.000	1	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:N[5a,6]-3:	C[5a,6a](C[5a,6a]C[5,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5,6a]C[5,6a]N[5])(N[5a,6]C[5a,6]B[6])	C[5a,6a](C[5a,6a]C[5,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6]C){1|B<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5,6a]C[5,6a]N[5])(N[5a,6]C[5a,6]B[6]){1|C<4>,1|N<3>,2|F<1>,5|C<3>}	119.6030	0.000	1	119.6030	0.000	1	119.6030	0.000	1	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]O[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C){1|O<2>,2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]O[6a]H){1|C<4>,1|H<1>,4|C<3>}	115.2805	0.525	2	115.2805	0.276	2	116.9093	2.029	6	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[6a]){1|H<1>,1|N<3>,7|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a]){1|H<1>,8|C<3>}	117.5160	0.000	2	117.5160	0.000	2	116.9093	2.029	6	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]O[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[6a]){1|H<1>,1|O<2>,7|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]O[6a]){1|H<1>,7|C<3>}	116.9990	0.000	1	116.9990	0.000	1	116.9093	2.029	6	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a,6a]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a,6a]C){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]N[6a]O){1|C<4>,1|H<1>,5|C<3>}	118.8640	0.000	1	118.8640	0.000	1	116.9093	2.029	6	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a,6]-3:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a,6a]C[5a])(N[5a,6]C[5a,6]B[6])	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6]C){1|B<4>,1|H<1>,1|N<3>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a,6a]C[5a])(N[5a,6]C[5a,6]B[6]){1|C<4>,1|H<1>,1|N<3>,2|F<1>,5|C<3>}	119.0080	0.000	1	119.0080	0.000	1	119.0080	0.000	1	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6])(C[5a,6a]C[6a,6a]C[5a])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C){1|N<3>,3|C<3>,3|H<1>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6])(C[5a,6a]C[6a,6a]C[5a])(N[5a]C[5a]H){1|B<4>,1|C<4>,1|H<1>,4|C<3>}	119.3040	0.000	1	119.3040	0.000	1	116.8773	3.444	10	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a,6a]C[5a])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C){1|N<3>,2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a,6a]C[5a])(N[5a]C[5a]H){1|C<4>,1|H<1>,5|C<3>}	117.4811	0.257	7	117.4811	0.066	7	116.8773	3.444	10	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a,6a]C[5a])(N[5a]C[5a]Ni)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C){1|Ni<4>,1|H<1>,1|N<3>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a,6a]C[5a])(N[5a]C[5a]Ni){1|C<4>,5|C<3>}	113.5505	0.169	2	113.5505	0.029	2	116.8773	3.444	10	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a,6]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6]N[5a,6]C[6])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a,6]C[6a]){1|B<4>,1|H<1>,7|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6]N[5a,6]C[6]){1|B<4>,1|H<1>,7|C<3>}	122.0030	0.460	2	122.0030	0.211	2	121.7413	0.311	3	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a,6]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6]N[5a,6]N[6])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a,6]C[6a]){1|B<4>,1|H<1>,1|N<2>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6]N[5a,6]N[6]){1|B<4>,1|H<1>,6|C<3>}	121.2180	0.000	1	121.2180	0.000	1	121.7413	0.311	3	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a]C){3|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a]H){2|H<1>,5|C<3>}	120.5200	0.102	2	120.5200	0.010	2	121.2025	0.628	4	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a]H){2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a]C){3|H<1>,4|C<3>}	121.8850	0.100	2	121.8850	0.010	2	121.2025	0.628	4	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a,6]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6]C[5a,6]B[6])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6]C[6a]){1|B<4>,1|H<1>,1|N<2>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6]C[5a,6]B[6]){1|H<1>,1|N<2>,1|N<3>,2|F<1>,5|C<3>}	120.9435	0.317	2	120.9435	0.101	2	120.9435	0.101	2	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,7|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C){1|H<1>,6|C<3>}	120.7860	0.455	2	120.7860	0.207	2	120.1317	0.648	4	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<2>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]H){2|H<1>,5|C<3>}	119.4775	0.152	2	119.4775	0.023	2	120.1317	0.648	4	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C){2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	117.6280	0.000	1	117.6280	0.000	1	117.8373	0.034	3	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]O[6a]O)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[6a]){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]O[6a]O){1|H<1>,5|C<3>}	117.9760	0.000	1	117.9760	0.000	1	117.8373	0.034	3	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]H){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a]){2|H<1>,6|C<3>}	117.9080	0.000	1	117.9080	0.000	1	117.8373	0.034	3	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]O[6a]O)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[6a]){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]O[6a]O){6|C<3>}	120.3960	0.000	1	120.3960	0.000	1	121.1110	1.022	2	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]O[6a]O)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]O[6a]O){1|H<1>,5|C<3>}	121.8260	0.000	1	121.8260	0.000	1	121.1110	1.022	2	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]2)(C[5a]N[5a]O)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]C[5a])(C[5a]N[5a]O)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]2)(C[5a]N[5a]O){1|C<4>,1|O<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,7|C<3>}	C[5a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]C[5a])(C[5a]N[5a]O){1|C<4>,1|O<1>,5|C<3>}	122.4260	0.850	2	122.4260	0.722	2	122.4260	0.722	2	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a,6]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6]C[5a,6]B[6])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6]C[5a,6]B[6]){1|H<1>,1|N<2>,1|N<3>,2|F<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6]C[6a]){1|B<4>,1|H<1>,1|N<2>,6|C<3>}	120.8915	0.302	2	120.8915	0.091	2	120.8915	0.091	2	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[3x6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a,6a]H)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a,6a]H){1|N<3>,1|O<1>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O){1|C<4>,1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a]){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	123.3300	0.098	2	123.3300	0.010	2	123.3300	0.010	2	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[3x6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a,6a]C)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a,6a]C){1|H<1>,6|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,7|C<3>}	121.0980	0.000	1	121.0980	0.000	1	121.0980	0.000	1	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[3x6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]C)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]C){1|Ir<9>,1|C<4>,1|H<1>,4|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|C<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]C){1|Ir<9>,1|C<4>,1|H<1>,4|C<3>}	122.5705	0.059	2	122.5705	0.003	2	122.5705	0.003	2	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[3x6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a,6a]C)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[3x6a]C[3x6a]2)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a,6a]C){1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[3x6a]C[3x6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a]){1|C<4>,1|H<1>,7|C<3>}	121.8650	0.000	1	121.8650	0.000	1	121.8650	0.000	1	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6a,6a]C[6a,6a]2)(N[5a]C[5a,6]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6a,6a]C[6a,6a]2)(N[5a]C[5a,6]H){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2){3|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	123.4700	0.000	1	123.4700	0.000	1	123.4700	0.000	1	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(N[5a]C[5a,6a]S)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(N[5a]C[5a,6a]S){1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2){1|S<4>,3|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	123.0715	0.974	2	123.0715	0.948	2	123.0715	0.948	2	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,5a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,5a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,5a]C[6a]){1|H<1>,1|N<3>,7|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,8|C<3>}	123.0660	0.000	1	123.0660	0.000	1	123.0660	0.000	1	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[5,6a]C[5,6a]C[5])	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H){1|O<2>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[5,6a]C[5,6a]C[5]){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	123.7210	0.000	1	123.7210	0.000	1	123.7210	0.000	1	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C){1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,7|C<3>}	122.2250	0.361	2	122.2250	0.130	2	122.5546	0.133	7	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C){1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,7|C<3>}	122.7970	0.000	1	122.5635	0.109	2	122.5546	0.133	7	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C){1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,2|H<1>,6|C<3>}	122.3300	0.000	1	122.5635	0.109	2	122.5546	0.133	7	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[6a]){1|H<1>,8|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,8|C<3>}	122.8660	0.000	1	122.8660	0.000	1	122.5546	0.133	7	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[6a]){1|H<1>,8|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){2|H<1>,7|C<3>}	123.0280	0.000	1	123.0280	0.000	1	122.5546	0.133	7	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]S)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]S){1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|S<4>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|S<4>,7|C<3>}	122.4110	0.000	1	122.4110	0.000	1	122.5546	0.133	7	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C){2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	121.5200	0.000	1	121.5200	0.000	1	122.5152	0.765	37	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C){1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|H<1>,7|C<3>}	121.4690	0.000	1	121.4690	0.000	1	122.5152	0.765	37	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C){1|C<4>,1|H<1>,5|C<3>}	121.9320	0.000	1	121.9320	0.000	1	122.5152	0.765	37	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C){2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	121.0990	0.000	1	121.2210	0.030	2	122.5152	0.765	37	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C){2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	121.3430	0.000	1	121.2210	0.030	2	122.5152	0.765	37	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C){1|H<1>,1|O<2>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]O){1|C<4>,1|H<1>,5|C<3>}	121.4970	0.257	2	121.4970	0.066	2	122.5152	0.765	37	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H){2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	122.4590	0.000	1	122.4590	0.000	1	122.5152	0.765	37	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H){2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H){3|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	122.6380	0.000	1	122.6380	0.000	1	122.5152	0.765	37	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H){1|C<4>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]C){4|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	123.5940	0.095	2	123.5940	0.009	2	122.5152	0.765	37	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H){1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<2>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2){1|C<2>,2|H<1>,6|C<3>}	124.7640	0.092	2	124.7640	0.008	2	122.5152	0.765	37	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H){2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	122.6850	0.000	1	122.6195	0.009	2	122.5152	0.765	37	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H){2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	122.5540	0.000	1	122.6195	0.009	2	122.5152	0.765	37	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O){1|C<4>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	122.8464	0.218	10	122.8464	0.048	10	122.5152	0.765	37	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]Cl)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H){1|Cl<1>,1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]Cl){2|H<1>,4|C<3>}	122.0910	0.000	1	122.0910	0.000	1	122.5152	0.765	37	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]H){2|H<1>,4|C<3>}	121.8955	1.537	2	121.8955	2.361	2	122.5152	0.765	37	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]N[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]N[6]){2|C<4>,2|H<1>,4|C<3>}	121.7540	0.000	1	121.7540	0.000	1	122.5152	0.765	37	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]O){3|H<1>,4|C<3>}	122.0125	0.214	2	122.4988	0.333	4	122.5152	0.765	37	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]O){1|C<4>,2|H<1>,4|C<3>}	123.0490	0.000	1	122.4988	0.333	4	122.5152	0.765	37	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]O){3|H<1>,4|C<3>}	122.9210	0.000	1	122.4988	0.333	4	122.5152	0.765	37	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]S)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]S){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|S<4>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C){1|H<1>,1|S<4>,5|C<3>}	122.5200	0.000	1	122.5200	0.000	1	122.5152	0.765	37	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]S)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]S){2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|S<4>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	121.9450	0.000	1	121.9450	0.000	1	122.5152	0.765	37	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]S)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]N)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]S){1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,1|S<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]N){1|S<4>,2|H<1>,4|C<3>}	122.1280	0.000	1	122.5475	0.352	2	122.5152	0.765	37	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]S)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]N)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]S){1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|S<4>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]N){1|S<4>,2|H<1>,4|C<3>}	122.9670	0.000	1	122.5475	0.352	2	122.5152	0.765	37	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C){1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,7|C<3>}	122.4765	0.337	2	122.4765	0.114	2	123.0773	0.520	4	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]H){2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<2>,5|C<3>}	123.6780	0.035	2	123.6780	0.001	2	123.0773	0.520	4	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]B[5a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]B[5a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]B[5a]C[6a]){1|H<1>,8|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|B<3>,1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]B[5a]C[6a]){1|H<1>,8|C<3>}	122.0523	0.185	3	122.0523	0.034	3	122.0523	0.034	3	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,8|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,8|C<3>}	121.6440	0.000	1	121.6440	0.000	1	121.6440	0.000	1	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,5a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5,5a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a]){3|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5,5a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	119.8930	0.000	1	119.8930	0.000	1	119.8000	0.017	2	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,5a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(C[5a,6a]C[5a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5,5a])(C[5a]N[5,5a]C[6a])(C[6a]O[6a]O)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(C[5a,6a]C[5a]C[6a]){1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5,5a])(C[5a]N[5,5a]C[6a])(C[6a]O[6a]O){1|C<4>,5|C<3>}	119.7070	0.000	1	119.7070	0.000	1	119.8000	0.017	2	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a,6])(C[5a,6]N[5a,6,6]N[6])(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a]){1|B<4>,1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a,6])(C[5a,6]N[5a,6,6]N[6])(C[6a]C[6a]H){1|B<4>,1|H<1>,1|N<2>,3|C<3>}	121.1183	0.636	6	121.1183	0.405	6	121.1183	0.405	6	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[6,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a]){2|H<1>,7|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2){1|N<3>,2|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	118.5990	0.000	1	118.5990	0.000	1	118.5990	0.000	1	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[3x6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[3x6a]C[3x6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a,6a]C)	C[5a,6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a]){1|C<4>,1|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[3x6a]C[3x6a]2){1|H<1>,1|N<3>,8|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a,6a]C){1|H<1>,6|C<3>}	119.7700	0.000	1	119.7700	0.000	1	119.7700	0.000	1	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[5a]N[5a]O)	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[5a]N[5a]O)	C[5a,6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[5a]N[5a]O){1|H<1>,1|O<1>,5|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5a,6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[5a]N[5a]O){1|H<1>,1|O<1>,5|C<3>}	123.3340	0.079	2	123.3340	0.006	2	123.3340	0.006	2	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[3x6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[6a,6a]C[3x6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]N[5a]O)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a,6a]O)(C[5a]N[5a]O)	C[5a,6a](C[6a,6a]C[3x6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]N[5a]O){2|H<1>,2|O<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a,6a]O)(C[5a]N[5a]O){1|H<1>,1|O<1>,3|C<3>}	123.9260	0.000	1	123.9260	0.000	1	123.9260	0.000	1	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]C[5a])(C[5a]N[5a]O)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])2(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]2)(C[5a]N[5a]O)	C[5a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]C[5a])(C[5a]N[5a]O){1|C<4>,1|O<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])2(C[6a,6a]C[6a,6a]C[6a]){1|N<3>,1|O<1>,1|S<2>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]2)(C[5a]N[5a]O){1|C<4>,1|O<1>,5|C<3>}	122.2175	0.303	2	122.2175	0.092	2	122.2175	0.092	2	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C[6a]){2|H<1>,7|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	119.5080	0.000	1	119.5080	0.000	1	119.5080	0.000	1	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:C[5a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5,6a]C[5a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(C[5a]C[5a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5,6a]C[5a])(C[5a]C[5a]C){2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(C[5a]C[5a]H){1|H<1>,6|C<3>}	119.2970	0.000	1	119.2970	0.000	1	119.2970	0.000	1	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:N[5a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5,6a]N[5a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5,6a]C[5,6a]N[5])(N[5a]C[5a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5,6a]N[5a])(C[5a]C[5a]C){1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5,6a]C[5,6a]N[5])(N[5a]C[5a]H){1|C<4>,5|C<3>}	117.4190	0.000	1	117.4190	0.000	1	119.8630	11.946	2	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:N[5a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5,6a]N[5a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5,6a]C[5,6a]N[5])(N[5a]C[5a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5,6a]N[5a])(C[5a]C[5a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5,6a]C[5,6a]N[5])(N[5a]C[5a]H){1|H<1>,5|C<3>}	122.3070	0.000	1	122.3070	0.000	1	119.8630	11.946	2	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a]){1|N<3>,2|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a]){1|C<4>,1|H<1>,7|C<3>}	116.8550	0.000	1	116.8550	0.000	1	119.6320	2.639	7	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[6a]O[5a])	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[6a]O[5a])(C[6a]O[6a]O)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[6a]O[5a]){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[6a]O[5a])(C[6a]O[6a]O){5|C<3>}	119.5500	0.000	1	119.5500	0.000	1	119.6320	2.639	7	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[6a]O[5a])	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]O[5a]C)(C[6a]O[6a]O)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[6a]O[5a]){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]O[5a]C)(C[6a]O[6a]O){3|C<3>}	118.3060	0.000	1	118.3060	0.000	1	119.6320	2.639	7	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]N[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]N[5a]C)(C[6a]O[6a]O)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]N[5a]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]N[5a]C)(C[6a]O[6a]O){1|C<4>,1|H<1>,2|C<3>}	120.1840	0.000	1	120.1840	0.000	1	119.6320	2.639	7	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N){1|Fe<6>,1|N<2>,2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Fe<6>,1|H<1>,1|N<2>,2|C<3>}	121.3670	0.081	2	121.3670	0.006	2	119.6320	2.639	7	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]O[5a]Si)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]O[5a]Si)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]O[5a]Si){1|Si<4>,2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|Si<4>,1|O<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]O[5a]Si)(C[6a]C[6a]H){1|Si<4>,1|H<1>,2|C<3>}	119.7950	0.000	1	119.7950	0.000	1	119.6320	2.639	7	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]O[6a])(C[5a]C[5a]C)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]O[6a])(C[5a]C[5a]C){1|C<4>,5|C<3>}	117.1060	0.000	1	117.1060	0.000	1	117.1060	0.000	1	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]O)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<2>,1|N<3>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]O){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	119.1270	0.000	1	119.1270	0.000	1	118.5194	0.829	25	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a]H){1|C<4>,1|H<1>,3|C<3>}	117.0240	0.000	1	117.0240	0.000	1	118.5194	0.829	25	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|O<2>,3|C<3>,3|H<1>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]2){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	117.2490	0.000	1	117.2490	0.000	1	118.5194	0.829	25	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a]){2|H<1>,7|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|H<1>,4|C<3>}	119.4860	0.000	1	119.7350	0.124	2	118.5194	0.829	25	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a]){3|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|H<1>,3|C<3>}	119.9840	0.000	1	119.7350	0.124	2	118.5194	0.829	25	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]N)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a]){1|N<3>,2|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]N){1|H<1>,4|C<3>}	118.9780	0.000	1	118.8315	0.043	2	118.5194	0.829	25	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]N)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a]){1|N<3>,2|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]N){1|H<1>,4|C<3>}	118.6850	0.000	1	118.8315	0.043	2	118.5194	0.829	25	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){3|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	119.2490	0.000	1	119.2490	0.000	1	118.5194	0.829	25	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[5a]N[6a])(N[5a]C[5a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){1|N<2>,3|C<3>,3|H<1>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[5a]N[6a])(N[5a]C[5a]H){2|H<1>,4|C<3>}	118.4310	0.000	1	118.4310	0.000	1	118.5194	0.829	25	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]Br)(N[5a]C[5a]S)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){1|Br<1>,1|N<2>,1|S<4>,2|C<3>,2|H<1>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]Br)(N[5a]C[5a]S){2|C<3>,2|H<1>}	120.3190	0.000	1	120.3190	0.000	1	118.5194	0.829	25	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]C)(N[5a]C[5a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]C)(N[5a]C[5a]H){2|C<3>,2|H<1>}	117.9741	0.177	7	118.0059	0.035	8	118.5194	0.829	25	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]C)(N[5a]C[5a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){1|N<2>,3|C<3>,3|H<1>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]C)(N[5a]C[5a]H){2|C<3>,2|H<1>}	118.2280	0.000	1	118.0059	0.035	8	118.5194	0.829	25	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){1|N<2>,2|C<3>,4|H<1>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]H)(N[5a]C[5a]H){2|C<3>,2|H<1>}	118.0190	0.000	1	117.9140	0.022	2	118.5194	0.829	25	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){1|N<2>,3|C<3>,3|H<1>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]H)(N[5a]C[5a]H){1|H<1>,3|C<3>}	117.8090	0.000	1	117.9140	0.022	2	118.5194	0.829	25	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){1|N<2>,1|S<4>,2|C<3>,3|H<1>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]H)(N[5a]C[5a]S){2|C<3>,2|H<1>}	118.2500	0.000	1	118.2500	0.000	1	118.5194	0.829	25	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]N)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O){1|N<3>,2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]N){1|H<1>,1|O<2>,3|C<3>}	119.7120	0.000	1	119.7120	0.000	1	118.5194	0.829	25	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|S<4>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a]H){1|C<4>,1|S<4>,3|C<3>}	117.3310	0.000	1	117.3310	0.000	1	118.5194	0.829	25	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(N[5a]N[5a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]N[5a]O){1|N<2>,2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(N[5a]N[5a]H){1|O<2>,4|C<3>}	119.6420	0.225	2	119.6420	0.051	2	118.5194	0.829	25	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C){1|B<4>,2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	119.2347	0.203	3	119.2347	0.041	3	119.4594	1.573	5	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a]){2|H<1>,7|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	118.0890	0.000	1	118.0890	0.000	1	119.4594	1.573	5	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H){1|B<4>,1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2){1|H<1>,1|N<3>,2|F<1>,6|C<3>}	121.5040	0.000	1	121.5040	0.000	1	119.4594	1.573	5	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<2>,1|N<3>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|H<1>,4|C<3>}	119.8920	0.000	1	119.8685	0.001	2	119.8685	0.001	2	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|N<3>,2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<2>,1|N<3>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|H<1>,1|N<3>,4|C<3>}	119.8450	0.000	1	119.8685	0.001	2	119.8685	0.001	2	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[5a]H)(N[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C){3|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[5a]H)(N[6a]C[6a]H){1|O<1>,4|C<3>}	117.6030	0.793	2	117.6030	0.629	2	118.2427	1.542	3	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a]C)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a]C){1|C<4>,1|O<1>,4|C<3>}	119.5220	0.000	1	119.5220	0.000	1	118.2427	1.542	3	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]N[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(N[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]N[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){3|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(N[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	120.0480	0.000	1	120.0480	0.000	1	120.0480	0.000	1	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a,6]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6])(C[5a]C[5a,6]H)(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6]){1|N<3>,2|F<1>,2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|B<4>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6])(C[5a]C[5a,6]H)(C[6a]C[6a]2){1|B<4>,6|C<3>}	119.9300	0.000	1	119.9300	0.000	1	120.0252	0.190	4	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a,6]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6])(C[5a]C[5a,6]H)(C[6a]C[6a]C)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6]){1|C<4>,1|N<3>,2|F<1>,2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|B<4>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6])(C[5a]C[5a,6]H)(C[6a]C[6a]C){1|B<4>,1|H<1>,3|C<3>}	120.3500	0.208	2	120.3500	0.043	2	120.0252	0.190	4	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a,6]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6])(C[5a]C[5a,6]H)(C[6a]O[6a]O)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6]){1|N<3>,1|O<1>,1|O<2>,2|F<1>,2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6])(C[5a]C[5a,6]H)(C[6a]O[6a]O){1|B<4>,3|C<3>}	119.4710	0.000	1	119.4710	0.000	1	120.0252	0.190	4	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a]){1|H<1>,8|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2){1|O<2>,3|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	121.3210	0.000	1	121.3210	0.000	1	121.3210	0.000	1	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H){1|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	123.3030	0.000	1	123.3030	0.000	1	123.3030	0.000	1	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C){1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[5a,6a]C[5a,6a]2){1|C<4>,1|N<3>,7|C<3>}	124.2390	0.140	2	123.0293	0.375	13	123.3729	0.403	23	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C){1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[5a,6a]C[5a,6a]2){1|C<2>,1|C<4>,1|S<2>,6|C<3>}	122.4595	0.081	2	123.0293	0.375	13	123.3729	0.403	23	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C){1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[5a,6a]C[5a,6a]2){1|C<4>,1|H<1>,1|S<2>,6|C<3>}	123.0090	0.209	4	123.0293	0.375	13	123.3729	0.403	23	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C){1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[5a,6a]C[5a,6a]2){1|C<4>,1|N<3>,1|S<2>,6|C<3>}	122.6100	0.000	1	123.0293	0.375	13	123.3729	0.403	23	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C){1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[5a,6a]C[5a,6a]2){1|C<4>,1|S<2>,7|C<3>}	122.8345	0.381	4	123.0293	0.375	13	123.3729	0.403	23	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a,6a]C[5a,6a]2)2	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C){1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a,6a]C[5a,6a]2)2{1|C<4>,1|N<3>,7|C<3>}	123.7755	0.364	2	123.7755	0.133	2	123.3729	0.403	23	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]H){1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[5a,6a]C[5a,6a]2){1|H<1>,1|N<3>,7|C<3>}	124.1885	0.422	2	124.1885	0.178	2	123.3729	0.403	23	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a,6a]C[5a,6a]2)2	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]H){1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a,6a]C[5a,6a]2)2{1|H<1>,1|N<3>,7|C<3>}	123.7112	0.195	6	123.7112	0.038	6	123.3729	0.403	23	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C){1|C<4>,3|C<3>,3|H<1>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	122.4220	0.000	2	122.4220	0.000	2	122.3995	0.364	37	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C){3|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	122.4370	0.000	1	122.4370	0.000	1	122.3995	0.364	37	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]N)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]N){1|C<4>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	122.1360	0.338	2	122.1360	0.114	2	122.3995	0.364	37	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]N)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C){1|C<2>,1|H<1>,1|N<3>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]N){1|C<2>,1|C<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	121.5230	0.059	2	121.6404	0.017	5	122.3995	0.364	37	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]N)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C){1|C<4>,1|H<1>,1|N<4>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]N){1|C<4>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	121.6685	0.070	2	121.6404	0.017	5	122.3995	0.364	37	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]N)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C){1|N<3>,2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]N){1|C<4>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	121.8190	0.000	1	121.6404	0.017	5	122.3995	0.364	37	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]N)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C){1|N<4>,3|C<3>,3|H<1>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]N){1|C<4>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	121.7730	0.000	1	121.7730	0.000	1	122.3995	0.364	37	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[3])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[3]){1|C<2>,2|H<1>,3|C<4>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|O<2>,2|C<3>,2|C<4>}	122.6410	0.000	1	122.6410	0.000	1	122.3995	0.364	37	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|N<2>,2|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	122.8555	0.163	2	122.8555	0.027	2	122.3995	0.364	37	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a]){2|H<1>,7|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){7|C<3>}	121.7300	0.617	2	121.7300	0.380	2	122.3995	0.364	37	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]N[6a]O)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]N[6a]O){1|H<1>,4|C<3>}	122.5490	0.000	1	122.5490	0.000	1	122.3995	0.364	37	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]O)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]O){5|C<3>}	121.8380	0.000	1	122.3237	0.231	3	122.3995	0.364	37	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]O)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|H<1>,4|C<3>}	122.8000	0.000	1	122.3237	0.231	3	122.3995	0.364	37	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]O)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|H<1>,4|C<3>}	122.3330	0.000	1	122.3237	0.231	3	122.3995	0.364	37	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	123.2500	0.000	1	122.9407	0.142	3	122.3995	0.364	37	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H){2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	122.7860	0.375	2	122.9407	0.142	3	122.3995	0.364	37	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H){3|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|O<2>,2|C<3>,2|H<1>}	123.5180	0.023	2	123.5180	0.001	2	122.3995	0.364	37	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]N[6a]C)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]N[6a]C){1|H<1>,5|C<3>}	122.2780	0.000	1	122.2780	0.000	1	122.3995	0.364	37	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H){1|N<2>,3|C<3>,3|H<1>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]H){1|H<1>,3|C<3>}	121.3990	0.000	1	121.3990	0.000	1	122.3995	0.364	37	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]O[6a]O)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]O[6a]O){1|H<1>,3|C<3>}	122.6510	0.078	2	122.6510	0.006	2	122.3995	0.364	37	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]O[6a]O)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]O[6a]O){1|H<1>,5|C<3>}	122.5855	0.489	2	122.5855	0.239	2	122.3995	0.364	37	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]S)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]N)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]S){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|S<4>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]N){1|S<4>,2|C<3>,2|H<1>}	122.9425	0.182	2	122.9425	0.033	2	122.3995	0.364	37	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]O[6a]O)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a]){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]O[6a]O){3|C<3>}	121.6910	0.000	1	121.6910	0.000	1	122.3995	0.364	37	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H){3|C<3>,3|H<1>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	123.0120	0.000	1	123.0120	0.000	1	122.3995	0.364	37	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]N)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]N){1|N<2>,3|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	123.1370	0.000	1	123.1370	0.000	1	122.3995	0.364	37	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C)(C[6a]O[6a]O)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C)(C[6a]O[6a]O){1|H<1>,2|C<3>}	122.1890	0.000	1	122.1890	0.000	1	122.3995	0.364	37	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,5a])(C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){1|N<3>,2|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,5a])(C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,2|N<3>,3|C<3>}	122.0540	0.020	2	122.0540	0.000	2	122.0540	0.000	2	120.8598	5.079	288	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:4:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-4:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]B[5a]C[6a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]B[5a])	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]B[5a]C[6a]H){1|H<1>,8|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|B<4>,1|O<2>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]B[5a]){2|H<1>,7|C<3>}	123.0630	0.000	1	123.0630	0.000	1	123.0630	0.000	1	123.0630	0.000	1	121.3801	5.163	1086	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[5,6a]-3:	C[5a,6a](C[5,5a,6a]C[5,6a]N[5,5a])(C[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5,5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[5,6a]C[6a]C[5])	C[5a,6a](C[5,5a,6a]C[5,6a]N[5,5a])(C[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	C[6a](C[5a,6a]C[5,5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[5,6a]C[6a]C[5]){1|C<3>,2|C<4>,6|H<1>}	112.6260	0.000	2	112.6260	0.000	2	112.6260	0.000	2	113.3629	1.617	9	113.3629	1.617	9	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[5,6a]-3:	C[5a,6a](C[5,5a,6a]C[5,6a]N[5,5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5,5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5,5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5,5a]C[5a,6]C[5])(C[5,6a]C[6a]C[5])	C[5a,6a](C[5,5a,6a]C[5,6a]N[5,5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C[6a](C[5a,6a]C[5,5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5,5a]C[5a,6]C[5])(C[5,6a]C[6a]C[5]){1|C<4>,3|C<3>,5|H<1>}	113.1405	0.419	4	113.0630	0.120	6	113.0630	0.120	6	113.3629	1.617	9	113.3629	1.617	9	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[5,6a]-3:	C[5a,6a](C[5,5a,6a]C[5,6a]N[5,5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5,5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5,5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5,5a]C[5a,6]C[5])(C[5,6a]C[6a]C[5])	C[5a,6a](C[5,5a,6a]C[5,6a]N[5,5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	C[6a](C[5a,6a]C[5,5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5,5a]C[5a,6]C[5])(C[5,6a]C[6a]C[5]){1|C<3>,2|C<4>,6|H<1>}	112.9080	0.000	2	113.0630	0.120	6	113.0630	0.120	6	113.3629	1.617	9	113.3629	1.617	9	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5,5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5,6a]-3:	C[5a,6a](C[5,5a,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5,5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5,5a,6a](C[5a,6a]C[6a]N[5a])(C[5,5a]C[5a]C[5])(C[5,6a]C[6a]C[5])	C[5a,6a](C[5,5a,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5,5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|S<4>,3|C<3>}	C[5,5a,6a](C[5a,6a]C[6a]N[5a])(C[5,5a]C[5a]C[5])(C[5,6a]C[6a]C[5]){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	116.6360	0.000	1	116.6360	0.000	1	116.6360	0.000	1	113.3629	1.617	9	113.3629	1.617	9	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a,6a]	3:3:3:	3:2:1:	3:3:3:	C[5a,5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[5a,5a]-3:	C[5a,6a](C[5a,5a,6a]C[5a,6a]N[5a,5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,5a,6a]C[5a,6a])(N[6a]C[6a])(H)	C[5a,5a,6a](C[5a,6a]C[5a,6a]C[6a])2(N[5a,5a]C[5a,6a]2)	C[5a,6a](C[5a,5a,6a]C[5a,6a]N[5a,5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]H){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,5a,6a]C[5a,6a])(N[6a]C[6a])(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,5a,6a](C[5a,6a]C[5a,6a]C[6a])2(N[5a,5a]C[5a,6a]2){1|N<2>,2|H<1>,4|C<3>}	112.0257	0.522	3	112.0257	0.272	3	112.0257	0.272	3	112.0257	0.272	3	112.9897	3.172	11	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[5a,5a]-3:	C[5a,6a](C[5a,5a,6a]C[5a,6a]N[5a,5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a,6a]C[5a,6a])(C[6a]C[6a]B[5])(H)	C[5a,5a,6a](C[5a,6a]C[5a,6a]C[6a])2(N[5a,5a]C[5a,6a]2)	C[5a,6a](C[5a,5a,6a]C[5a,6a]N[5a,5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|B<3>,1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,5a,6a]C[5a,6a])(C[6a]C[6a]B[5])(H){1|H<1>,1|N<3>,2|O<2>,3|C<3>}	C[5a,5a,6a](C[5a,6a]C[5a,6a]C[6a])2(N[5a,5a]C[5a,6a]2){2|H<1>,5|C<3>}	113.7520	0.557	2	113.7520	0.310	2	113.3512	3.905	8	113.3512	3.905	8	112.9897	3.172	11	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[5a,5a]-3:	C[5a,6a](C[5a,5a,6a]C[5a,6a]N[5a,5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a,6a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,5a,6a](C[5a,6a]C[5a,6a]C[6a])2(N[5a,5a]C[5a,6a]2)	C[5a,6a](C[5a,5a,6a]C[5a,6a]N[5a,5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,5a,6a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,5a,6a](C[5a,6a]C[5a,6a]C[6a])2(N[5a,5a]C[5a,6a]2){2|H<1>,5|C<3>}	112.3085	3.128	2	113.2177	5.320	6	113.3512	3.905	8	113.3512	3.905	8	112.9897	3.172	11	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[5a,5a]-3:	C[5a,6a](C[5a,5a,6a]C[5a,6a]N[5a,5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a,6a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,5a,6a](C[5a,6a]C[5a,6a]C[6a])2(N[5a,5a]C[5a,6a]2)	C[5a,6a](C[5a,5a,6a]C[5a,6a]N[5a,5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,5a,6a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,5a,6a](C[5a,6a]C[5a,6a]C[6a])2(N[5a,5a]C[5a,6a]2){2|H<1>,5|C<3>}	113.6722	2.186	4	113.2177	5.320	6	113.3512	3.905	8	113.3512	3.905	8	112.9897	3.172	11	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(O[5a]B[5,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5,5a]C[6])(C[6,6a]C[6a]C[6])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(O[5a]B[5,5a])(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6,6a]O[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>}	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5,5a]C[6])(C[6,6a]C[6a]C[6]){1|O<2>,3|C<3>,4|H<1>}	118.7170	0.000	1	118.4530	0.231	4	118.3869	0.113	11	118.3869	0.113	11	118.7911	3.995	130	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(O[5a]B[5,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5,5a]C[6])(C[6,6a]C[6a]C[6])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(O[5a]B[5,5a])(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6,6a]O[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>}	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5,5a]C[6])(C[6,6a]C[6a]C[6]){4|C<3>,4|H<1>}	118.3650	0.548	3	118.4530	0.231	4	118.3869	0.113	11	118.3869	0.113	11	118.7911	3.995	130	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(O[5a]B[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]C[6])(C[6,6a]C[6a]C[6])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(O[5a]B[5a,6])(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6,6a]O[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>}	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]C[6])(C[6,6a]C[6a]C[6]){4|C<3>,4|H<1>}	118.3491	0.261	7	118.3491	0.068	7	118.3869	0.113	11	118.3869	0.113	11	118.7911	3.995	130	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6,6a](C[5a,6]C[6,6a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6])	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6,6a](C[5a,6]C[6,6a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	118.4980	0.129	2	118.4980	0.017	2	118.4980	0.017	2	118.8721	7.434	47	118.7911	3.995	130	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6])(N[5a,6]C[5a]C[6])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6])(N[5a,6]C[5a]C[6]){1|O<2>,2|C<3>,5|H<1>}	117.9510	0.000	1	117.9510	0.000	1	117.9510	0.000	1	118.8721	7.434	47	118.7911	3.995	130	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6,6a](N[5a,6]C[6,6a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6,6a](N[5a,6]C[6,6a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6]){2|C<4>,2|H<1>,4|C<3>}	118.0265	0.415	2	118.0265	0.172	2	118.0265	0.172	2	118.8721	7.434	47	118.7911	3.995	130	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]Br)(O[5a]B[5a])	C[6a](C[5a,6a]C[5a,6,6a]O[5a])(C[6a]C[6a]H)(Br)	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]Br)(O[5a]B[5a]){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6,6a]O[5a])(C[6a]C[6a]H)(Br){1|Br<1>,1|B<4>,1|C<3>,1|N<3>}	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6]){2|Br<1>,2|H<1>,4|C<3>}	116.7790	0.000	1	116.7790	0.000	1	116.7790	0.000	1	118.8721	7.434	47	118.7911	3.995	130	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6,6a](C[5a,6]C[6,6a]C[5a])(C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6,6a](C[5a,6]C[6,6a]C[5a])(C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6]){1|O<1>,2|H<1>,4|C<3>}	122.2520	0.136	2	122.2520	0.018	2	122.2520	0.018	2	118.8721	7.434	47	118.7911	3.995	130	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6,6a]O[5a])(C[6a]C[6a]C)(H)	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]C[6])	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6,6a]O[5a])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]C[6]){1|C<3>,2|C<4>,6|H<1>}	123.6214	1.326	7	123.6214	1.758	7	123.6214	1.758	7	118.8721	7.434	47	118.7911	3.995	130	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(O[5a]B[5a])	C[6a](C[5a,6a]C[5a,6,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(O[5a]B[5a]){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6,6a]O[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>}	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6]){1|O<2>,3|C<3>,4|H<1>}	118.4420	0.567	2	117.7871	3.652	30	117.7871	3.652	30	118.8721	7.434	47	118.7911	3.995	130	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(O[5a]B[5a])	C[6a](C[5a,6a]C[5a,6,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(O[5a]B[5a]){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6,6a]O[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>}	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6]){1|C<4>,3|H<1>,4|C<3>}	118.8810	0.447	3	117.7871	3.652	30	117.7871	3.652	30	118.8721	7.434	47	118.7911	3.995	130	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(O[5a]B[5a])	C[6a](C[5a,6a]C[5a,6,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(O[5a]B[5a]){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6,6a]O[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>}	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6]){4|C<3>,4|H<1>}	117.5751	2.079	24	117.7871	3.652	30	117.7871	3.652	30	118.8721	7.434	47	118.7911	3.995	130	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(O[5a]B[5a])	C[6a](C[5a,6a]C[5a,6,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(O[5a]B[5a]){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6,6a]O[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|B<4>,1|C<3>,1|N<3>}	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6]){1|Cl<1>,3|H<1>,4|C<3>}	118.2840	0.000	1	117.7871	3.652	30	117.7871	3.652	30	118.8721	7.434	47	118.7911	3.995	130	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:I-1:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]I)(O[5a]B[5a])	C[6a](C[5a,6a]C[5a,6,6a]O[5a])(C[6a]C[6a]H)(I)	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]I)(O[5a]B[5a]){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6,6a]O[5a])(C[6a]C[6a]H)(I){1|B<4>,1|C<3>,1|I<1>,1|N<3>}	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6]){2|H<1>,2|I<1>,4|C<3>}	117.8710	0.571	2	117.8710	0.326	2	117.8710	0.326	2	118.8721	7.434	47	118.7911	3.995	130	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]N)(O[5a]N[5a])	C[6a](C[5a,6a]C[5a,6,6a]O[5a])(C[6a]C[6a]H)(NOO)	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[5a,6]N[5a]C[6])(C[6,6a]C[6a]C[6])	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]N)(O[5a]N[5a]){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6,6a]O[5a])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<2>,2|C<3>}	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[5a,6]N[5a]C[6])(C[6,6a]C[6a]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	117.8440	0.000	1	117.8440	0.000	1	117.8440	0.000	1	117.8440	0.000	1	118.7911	3.995	130	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6,6a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(N[6a]C[6a])(H)	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[6,6a]C[6a]C[6])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(N[6a]C[6a])(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[6,6a]C[6a]C[6]){1|N<2>,2|C<3>,2|C<4>,5|H<1>}	115.3190	0.000	1	115.3190	0.000	1	115.3190	0.000	1	117.2645	7.570	2	118.7911	3.995	130	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6,6a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]N[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(N[6a]C[6a])(H)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]C[6])	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]N[6a]H)(N[5a]C[5a]S){2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(N[6a]C[6a])(H){1|Cl<1>,1|S<4>,3|C<3>}	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]C[6]){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,1|S<4>,5|H<1>}	119.2100	0.000	1	119.2100	0.000	1	119.2100	0.000	1	117.2645	7.570	2	118.7911	3.995	130	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6,6a]-3:C[5a,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6,6a]C[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a,6]C[5a,5a]C[6])(C[6,6a]C[6a]C[6])	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,6,6a]C[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a,6]C[5a,5a]C[6])(C[6,6a]C[6a]C[6]){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	119.3800	0.000	1	119.3800	0.000	1	119.3800	0.000	1	118.8466	2.329	68	118.7911	3.995	130	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(C[6a]C[6a]C)(H)	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6a]B[6])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|B<4>,1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6a]B[6]){1|N<3>,2|F<1>,2|H<1>,4|C<3>}	119.2580	0.000	1	119.2580	0.000	1	118.0670	2.286	3	118.8466	2.329	68	118.7911	3.995	130	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6a]B[6])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6a]B[6]){1|N<3>,2|F<1>,2|H<1>,4|C<3>}	118.5770	0.000	1	118.5770	0.000	1	118.0670	2.286	3	118.8466	2.329	68	118.7911	3.995	130	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(C[6a]N[6a]H)(H)	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(N[5a,6]C[5a,6a]S[6])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(C[6a]N[6a]H)(H){1|N<3>,3|C<3>}	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(N[5a,6]C[5a,6a]S[6]){1|H<1>,2|O<1>,5|C<3>}	116.3660	0.000	1	116.3660	0.000	1	118.0670	2.286	3	118.8466	2.329	68	118.7911	3.995	130	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(C[6a]C[6a]C)(H)	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(C[6,6a]C[5,6]C[6a])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|B<4>,1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(C[6,6a]C[5,6]C[6a]){1|N<3>,1|O<2>,2|F<1>,2|H<1>,3|C<3>}	118.5550	0.000	1	118.5737	0.288	3	118.2446	0.498	5	118.8466	2.329	68	118.7911	3.995	130	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(C[6a]C[6a]C)(H)	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(C[6,6a]C[5,6]C[6a])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|B<4>,1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(C[6,6a]C[5,6]C[6a]){1|N<3>,1|S<2>,2|C<2>,2|H<1>,3|C<3>}	118.0470	0.000	1	118.5737	0.288	3	118.2446	0.498	5	118.8466	2.329	68	118.7911	3.995	130	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(C[6a]C[6a]C)(H)	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(C[6,6a]C[5,6]C[6a])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|B<4>,1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(C[6,6a]C[5,6]C[6a]){1|N<3>,1|S<2>,2|H<1>,5|C<3>}	119.1190	0.000	1	118.5737	0.288	3	118.2446	0.498	5	118.8466	2.329	68	118.7911	3.995	130	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(C[6,6a]C[5,6]C[6a])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(C[6,6a]C[5,6]C[6a]){1|N<3>,2|H<1>,3|C<3>,3|O<2>}	117.2020	0.000	1	117.2020	0.000	1	118.2446	0.498	5	118.8466	2.329	68	118.7911	3.995	130	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[6,6a]C[6a]O[6])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(C[6a]C[6a]H)(H){1|N<3>,4|C<3>}	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[6,6a]C[6a]O[6]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	118.3000	0.000	1	118.3000	0.000	1	118.2446	0.498	5	118.8466	2.329	68	118.7911	3.995	130	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6,6,6a]-3:C[5a,6a]-3:N[5a,6]-3:	C[5a,6a](C[5a,6,6a]C[6,6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(C[6a]C[6,6a]C)(H)	C[5a,6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]C[6])	C[5a,6a](C[5a,6,6a]C[6,6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	C[6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(C[6a]C[6,6a]C)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]C[6]){1|O<2>,2|H<1>,3|C<3>,4|C<4>}	117.3943	0.470	3	117.3943	0.221	3	117.3943	0.221	3	118.8466	2.329	68	118.7911	3.995	130	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6,6a](N[5a,6]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6a]Si[6])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|Si<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6,6a](N[5a,6]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6a]Si[6]){2|C<4>,2|H<1>,5|C<3>}	118.7720	0.000	1	118.7720	0.000	1	118.7720	0.000	1	118.8466	2.329	68	118.7911	3.995	130	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6a]C[6])(N[5a,6]C[5a]C[6])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[5a,6a]C[5a,6,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6a]C[6])(N[5a,6]C[5a]C[6]){1|C<2>,1|C<3>,1|C<4>,1|O<2>,6|H<1>}	117.7130	0.000	1	117.6373	0.014	3	117.2705	0.433	11	118.8466	2.329	68	118.7911	3.995	130	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6a]C[6])(N[5a,6]C[5a]C[6])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6a]C[6])(N[5a,6]C[5a]C[6]){1|C<3>,3|C<4>,6|H<1>}	117.6960	0.000	1	117.6373	0.014	3	117.2705	0.433	11	118.8466	2.329	68	118.7911	3.995	130	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6a]C[6])(N[5a,6]C[5a]C[6])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6a]C[6])(N[5a,6]C[5a]C[6]){2|C<3>,2|C<4>,6|H<1>}	117.5030	0.000	1	117.6373	0.014	3	117.2705	0.433	11	118.8466	2.329	68	118.7911	3.995	130	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6a]C[6])(N[5a,6]C[5a]C[6])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	C[6a](C[5a,6a]C[5a,6,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6a]C[6])(N[5a,6]C[5a]C[6]){2|C<3>,2|C<4>,6|H<1>}	117.3690	0.215	2	117.3690	0.046	2	117.2705	0.433	11	118.8466	2.329	68	118.7911	3.995	130	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[5,6]C[6a])(N[5a,6]C[5a]B[6])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]H)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[5,6]C[6a])(N[5a,6]C[5a]B[6]){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	117.5310	0.136	2	117.5310	0.018	2	117.2705	0.433	11	118.8466	2.329	68	118.7911	3.995	130	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6a]C[6])(N[5a,6]C[5a]C[6])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6a]C[6])(N[5a,6]C[5a]C[6]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	116.0635	0.482	2	116.0635	0.232	2	117.2705	0.433	11	118.8466	2.329	68	118.7911	3.995	130	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6a]O[6])(N[5a,6]N[5a]C[6])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6a](C[5a,6a]C[5a,6,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6a]O[6])(N[5a,6]N[5a]C[6]){1|C<4>,2|C<3>,4|H<1>}	117.1450	0.000	1	117.1450	0.000	1	117.2705	0.433	11	118.8466	2.329	68	118.7911	3.995	130	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]N[5a]I)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6a]C[6])(N[5a,6]N[5a]C[6])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]N[5a]I)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|I<1>,1|N<2>,1|N<3>}	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6a]C[6])(N[5a,6]N[5a]C[6]){1|I<1>,3|C<3>,4|H<1>}	117.9920	0.000	1	117.9920	0.000	1	117.2705	0.433	11	118.8466	2.329	68	118.7911	3.995	130	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5,6]C[5a])(C[6,6a]C[6a]B[6])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]H)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5,6]C[5a])(C[6,6a]C[6a]B[6]){2|Cl<1>,1|C<3>,1|N<3>,1|O<2>,4|H<1>}	116.8870	0.000	1	116.8870	0.000	1	116.8137	0.358	3	118.8466	2.329	68	118.7911	3.995	130	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5,6]C[5a])(C[6,6a]C[6a]C[6])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5,6]C[5a])(C[6,6a]C[6a]C[6]){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	117.3720	0.000	1	116.7770	0.708	2	116.8137	0.358	3	118.8466	2.329	68	118.7911	3.995	130	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5,6]C[5a])(C[6,6a]C[6a]C[6])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5,6]C[5a])(C[6,6a]C[6a]C[6]){1|O<1>,1|O<2>,3|C<3>,4|H<1>}	116.1820	0.000	1	116.7770	0.708	2	116.8137	0.358	3	118.8466	2.329	68	118.7911	3.995	130	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5a,6a]-3:N[5a,6]-3:	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]Cl)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6,6a](C[6,6a]C[6,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a]C[6])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]Cl)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6,6a]C[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6,6a](C[6,6a]C[6,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a]C[6]){1|Cl<1>,4|C<3>,4|H<1>}	117.4715	0.739	2	117.4715	0.546	2	117.4715	0.546	2	118.8466	2.329	68	118.7911	3.995	130	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6,6a](C[5a,6]C[5,6]C[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6])	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6,6a](C[5a,6]C[5,6]C[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6]){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	120.0890	0.000	1	119.6360	0.410	2	119.8581	0.400	11	118.8466	2.329	68	118.7911	3.995	130	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6,6a](C[5a,6]C[5,6]C[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6])	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6,6a](C[5a,6]C[5,6]C[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6]){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	119.1830	0.000	1	119.6360	0.410	2	119.8581	0.400	11	118.8466	2.329	68	118.7911	3.995	130	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6,6a](C[5a,6]C[6,6]C[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6])	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6,6a](C[5a,6]C[6,6]C[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6]){1|C<3>,4|H<1>,5|C<4>}	120.6697	0.312	3	120.5097	0.167	4	119.8581	0.400	11	118.8466	2.329	68	118.7911	3.995	130	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6,6a](C[5a,6]C[6,6]C[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6])	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6,6a](C[5a,6]C[6,6]C[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6]){2|C<3>,3|C<4>,4|H<1>}	120.0300	0.000	1	120.5097	0.167	4	119.8581	0.400	11	118.8466	2.329	68	118.7911	3.995	130	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6,6a](C[5a,6]C[6,6a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6])	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6,6a](C[5a,6]C[6,6a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	119.4256	0.298	5	119.4256	0.089	5	119.8581	0.400	11	118.8466	2.329	68	118.7911	3.995	130	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6,6a](C[5a,6]B[6,6a]C[5a])(C[6,6a]C[6,6a]C[6a])(C[5a,6a]C[6a]N[5a])	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|B<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6,6a](C[5a,6]B[6,6a]C[5a])(C[6,6a]C[6,6a]C[6a])(C[5a,6a]C[6a]N[5a]){1|C<4>,3|H<1>,4|C<3>}	122.5050	0.000	1	122.5050	0.000	1	122.5050	0.000	1	118.8466	2.329	68	118.7911	3.995	130	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]C[6])	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]C[6]){1|C<3>,3|C<4>,6|H<1>}	120.0070	0.000	1	120.0070	0.000	1	120.3379	0.315	8	118.8466	2.329	68	118.7911	3.995	130	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]C[6])	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]C[6]){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	120.0720	0.000	1	119.7933	0.082	3	120.3379	0.315	8	118.8466	2.329	68	118.7911	3.995	130	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]C[6])	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]C[6]){1|C<4>,2|C<3>,7|H<1>}	119.6540	0.219	2	119.7933	0.082	3	120.3379	0.315	8	118.8466	2.329	68	118.7911	3.995	130	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]S[6])	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]S[6]){1|C<3>,2|C<4>,5|H<1>}	120.7720	0.000	1	120.7720	0.000	1	120.3379	0.315	8	118.8466	2.329	68	118.7911	3.995	130	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]Br)(H)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]C[6])	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|Br<1>,2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]C[6]){1|C<4>,1|S<4>,2|C<3>,6|H<1>}	120.7250	0.000	1	120.7250	0.000	1	120.3379	0.315	8	118.8466	2.329	68	118.7911	3.995	130	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]C[6])	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]S){2|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]C[6]){1|C<4>,1|S<4>,2|C<3>,6|H<1>}	120.7470	0.000	1	120.7470	0.000	1	120.3379	0.315	8	118.8466	2.329	68	118.7911	3.995	130	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]C[6])	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]C[6]){1|C<4>,1|S<4>,2|C<3>,6|H<1>}	121.0720	0.000	1	121.0720	0.000	1	120.3379	0.315	8	118.8466	2.329	68	118.7911	3.995	130	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[5,6]C[6a])(C[5a,6]C[5a]C[6])	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[5,6]C[6a])(C[5a,6]C[5a]C[6]){1|C<4>,3|C<3>,5|H<1>}	120.2590	0.000	1	120.2590	0.000	1	120.1880	0.391	13	118.8466	2.329	68	118.7911	3.995	130	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6]C[6a])(C[5a,6]C[5a]C[6])	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6]C[6a])(C[5a,6]C[5a]C[6]){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	119.9165	0.343	2	120.2660	0.425	3	120.1880	0.391	13	118.8466	2.329	68	118.7911	3.995	130	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6]C[6a])(C[5a,6]C[5a]C[6])	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6]C[6a])(C[5a,6]C[5a]C[6]){1|C<4>,3|C<3>,6|H<1>}	120.9650	0.000	1	120.2660	0.425	3	120.1880	0.391	13	118.8466	2.329	68	118.7911	3.995	130	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6]C[6a])(C[5a,6]C[5a]C[6])	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6]C[6a])(C[5a,6]C[5a]C[6]){1|C<3>,2|C<4>,7|H<1>}	119.9330	0.000	1	120.1541	0.475	9	120.1880	0.391	13	118.8466	2.329	68	118.7911	3.995	130	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6]C[6a])(C[5a,6]C[5a]C[6])	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6]C[6a])(C[5a,6]C[5a]C[6]){1|C<4>,2|C<3>,7|H<1>}	119.9595	0.157	4	120.1541	0.475	9	120.1880	0.391	13	118.8466	2.329	68	118.7911	3.995	130	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6]C[6a])(C[5a,6]C[5a]C[6])	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6]C[6a])(C[5a,6]C[5a]C[6]){1|C<4>,2|C<3>,6|H<1>}	120.4040	1.046	4	120.1541	0.475	9	120.1880	0.391	13	118.8466	2.329	68	118.7911	3.995	130	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(N[5a]B[5a]C){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6]){4|H<1>,5|C<3>}	117.3930	0.231	6	117.3930	0.054	6	117.3930	0.054	6	118.8466	2.329	68	118.7911	3.995	130	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(C[5a,6a]C[5a,6a]N[5a])(CCHH)	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[5a,6a]C[6,6])(N[5a,6]C[5a,6a]B[6])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C){1|B<4>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(C[5a,6a]C[5a,6a]N[5a])(CCHH){1|H<1>,1|N<3>,5|C<3>}	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[5a,6a]C[6,6])(N[5a,6]C[5a,6a]B[6]){1|C<4>,1|N<3>,2|F<1>,5|C<3>}	119.6510	0.000	1	119.6510	0.000	1	119.6510	0.000	1	119.6510	0.000	1	118.7911	3.995	130	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[3x6a]-3:C[5a,6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a,6a](C[3x6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a])	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a,6a]H)(H){4|C<3>}	C[5a,6a,6a](C[3x6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a]){1|H<1>,6|C<3>}	116.8635	0.023	2	116.8635	0.001	2	116.8635	0.001	2	117.8938	0.669	21	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a])	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a,6a]H)(H){1|S<2>,3|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a]){1|H<1>,1|S<2>,5|C<3>}	118.9860	0.000	1	118.3564	0.136	9	118.3564	0.136	9	117.8938	0.669	21	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a])	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a,6a]H)(H){4|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a]){1|H<1>,6|C<3>}	118.2777	0.303	8	118.3564	0.136	9	118.3564	0.136	9	117.8938	0.669	21	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])2(C[5a,6a]C[6a]S[5a])	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(S[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[5a,6a]H)(H){1|S<2>,3|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])2(C[5a,6a]C[6a]S[5a]){1|H<1>,1|S<2>,5|C<3>}	117.0295	0.491	6	117.0295	0.241	6	117.0295	0.241	6	117.8938	0.669	21	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a,6a]-3:C[3x6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a])(C[3x6a]C[6a,6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a,6a]H)(H){4|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a])(C[3x6a]C[6a,6a]2){1|H<1>,6|C<3>}	118.4795	0.107	2	118.4795	0.011	2	118.6643	0.058	4	117.8938	0.669	21	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a,6a]-3:C[3x6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a,6a]N)(H)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a])(C[3x6a]C[6a,6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a,6a]N)(H){4|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a])(C[3x6a]C[6a,6a]2){1|H<1>,6|C<3>}	118.8490	0.164	2	118.8490	0.027	2	118.6643	0.058	4	117.8938	0.669	21	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:2:3:	3:3:2:	3:3:3:	C[5a,6a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(S[5a]C[5a,6a])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a,6a]O)(OC)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a])	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(S[5a]C[5a,6a])(C[6a]C[6a]O){1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a,6a]O)(OC){1|N<2>,3|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a]){1|N<2>,1|O<2>,5|C<3>}	117.2810	0.000	1	116.8240	0.418	2	116.8240	0.418	2	116.8905	0.371	12	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:2:3:	3:3:2:	3:3:3:	C[5a,6a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(S[5a]C[5a,6a])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a,6a]O)(OC)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a])	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(S[5a]C[5a,6a])(C[6a]C[6a]O){1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a,6a]O)(OC){4|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a]){1|O<2>,6|C<3>}	116.3670	0.000	1	116.8240	0.418	2	116.8240	0.418	2	116.8905	0.371	12	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:2:3:	3:3:2:	3:3:3:	C[5a,6a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(S[5a]C[5a,6a])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[5a,6a]O)(OC)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a])	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(S[5a]C[5a,6a])(C[6a]C[6a]O){1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[5a,6a]O)(OC){1|S<2>,3|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a]){1|O<2>,1|S<2>,5|C<3>}	115.9625	0.235	2	115.9625	0.055	2	116.4957	0.199	6	116.8905	0.371	12	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:2:3:	3:3:2:	3:3:3:	C[5a,6a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(S[5a]C[5a,6a])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[5a,6a]O)(OC)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(S[5a]C[5a,6a])(C[6a]C[6a]O){1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[5a,6a]O)(OC){1|S<2>,3|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a]){1|O<2>,1|S<2>,5|C<3>}	116.7622	0.168	4	116.7622	0.028	4	116.4957	0.199	6	116.8905	0.371	12	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:2:3:	3:3:2:	3:3:3:	C[5a,6a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a]O)(OC)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]O){1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a]O)(OC){1|Sn<4>,3|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a]){1|Sn<4>,1|O<2>,5|C<3>}	117.5160	0.229	4	117.5160	0.053	4	117.5160	0.053	4	116.8905	0.371	12	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:2:3:	3:3:4:	3:3:3:	C[5a,6a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:Si-4:	C[5a,6a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]Si)	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a]H)(SiC3)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]Si){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a]H)(SiC3){1|H<1>,3|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a]){1|Si<4>,1|H<1>,5|C<3>}	121.5235	0.036	2	121.5235	0.001	2	121.5235	0.001	2	121.5235	0.001	2	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a,6a]O[5a])(C[6a]N[6a]H)(H)	C[5a,6a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a,6a]C[6a]N[6a])	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]O[5a])(C[6a]N[6a]H)(H){3|C<3>}	C[5a,6a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a,6a]C[6a]N[6a]){1|O<2>,2|H<1>,3|C<3>}	119.6520	0.000	1	119.6520	0.000	1	119.6520	0.000	1	120.3871	1.158	24	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a,6a]O[5a])(C[6a]C[6a]O)(H)	C[5a,6a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]O[5a])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	C[5a,6a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a]){2|H<1>,5|C<3>}	123.3220	0.000	1	123.3220	0.000	1	123.3220	0.000	1	120.3871	1.158	24	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[3x6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[6a]C[5,6a]H)(S[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[5,6a]C[5,6a,6a]S[5])(H)	C[5a,6a,6a](C[3x6a]C[5,6a,6a]2)(C[5a,6a]C[6a]S[5a])2	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[6a]C[5,6a]H)(S[5a]S[5a]){1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[5,6a]C[5,6a,6a]S[5])(H){2|S<2>,3|C<3>}	C[5a,6a,6a](C[3x6a]C[5,6a,6a]2)(C[5a,6a]C[6a]S[5a])2{2|H<1>,4|C<3>}	121.3995	0.129	2	121.3995	0.017	2	121.3995	0.017	2	120.3871	1.158	24	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[3x6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[6a]C[6a,6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a,6a]C[3x6a]C[6a])(H)	C[5a,6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]S[5a])	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[6a]C[6a,6a]H)(S[5a]C[5a]){1|N<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a,6a]C[3x6a]C[6a])(H){1|H<1>,5|C<3>}	C[5a,6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]S[5a]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	121.5890	0.000	1	121.5890	0.000	1	121.5890	0.000	1	120.3871	1.158	24	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]S[5a])	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[5a,6a]H)(H){4|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]S[5a]){1|S<2>,2|H<1>,4|C<3>}	119.0618	0.547	4	119.0618	0.299	4	119.0618	0.299	4	120.3871	1.158	24	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[3x6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[6a]C[6a]H)(S[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a,6a](C[5a,6a]C[6a]S[5a])2(C[3x6a]C[6a,6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[6a]C[6a]H)(S[5a]S[5a]){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a,6a]H)(H){1|S<2>,3|C<3>}	C[5a,6a,6a](C[5a,6a]C[6a]S[5a])2(C[3x6a]C[6a,6a]2){2|H<1>,4|C<3>}	120.5037	0.081	4	120.5037	0.007	4	120.5037	0.007	4	120.3871	1.158	24	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a,6a]C[6a]2){1|N<2>,1|O<2>,2|C<3>,3|H<1>}	120.3440	1.040	4	120.1546	0.663	8	120.3334	0.595	11	120.3871	1.158	24	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a,6a]C[6a]2){1|N<2>,2|C<3>,4|H<1>}	120.0350	0.000	1	120.1546	0.663	8	120.3334	0.595	11	120.3871	1.158	24	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a,6a]C[6a]2){3|C<3>,4|H<1>}	119.9420	0.742	3	120.1546	0.663	8	120.3334	0.595	11	120.3871	1.158	24	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(S[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a,6a](C[5a,6a]C[6a]S[5a])2(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(S[5a]S[5a]){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a,6a](C[5a,6a]C[6a]S[5a])2(C[6a,6a]C[6a]2){1|N<3>,2|C<3>,3|H<1>}	120.8565	0.598	2	120.8100	0.185	3	120.3334	0.595	11	120.3871	1.158	24	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(S[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a,6a](C[5a,6a]C[6a]S[5a])2(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(S[5a]S[5a]){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a]H)(H){1|N<3>,1|S<2>,2|C<3>}	C[5a,6a,6a](C[5a,6a]C[6a]S[5a])2(C[6a,6a]C[6a]2){1|N<3>,2|C<3>,3|H<1>}	120.7170	0.000	1	120.8100	0.185	3	120.3334	0.595	11	120.3871	1.158	24	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:2:	3:3:2:	3:3:3:	C[5a,6a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]O)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a]H)(OC)	C[5a,6a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]O)(S[5a]C[5a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C[5a,6a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a,6a]C[6a]2){1|N<2>,1|O<2>,2|C<3>,3|H<1>}	119.6653	0.302	3	119.6653	0.091	3	119.6653	0.091	3	119.6653	0.091	3	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a,6a]O[5a])(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a,6a]C[6a]O[5a])(C[6a,6a]C[6a]N[6a])	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(O[5a]C[5a]){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]O[5a])(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	C[5a,6a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a,6a]C[6a]O[5a])(C[6a,6a]C[6a]N[6a]){1|H<1>,6|C<3>}	123.9960	0.000	1	123.9960	0.000	1	123.9960	0.000	1	120.2280	10.769	3	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]N)(S[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a]H)(NOO)	C[5a,6a,6a](C[5a,6a]C[6a]S[5a])2(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]N)(S[5a]S[5a]){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a]H)(NOO){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a,6a](C[5a,6a]C[6a]S[5a])2(C[6a,6a]C[6a]2){1|N<3>,2|C<3>,3|H<1>}	117.9970	0.000	1	118.3440	0.241	2	118.3440	0.241	2	120.2280	10.769	3	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]N)(S[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a]H)(NOO)	C[5a,6a,6a](C[5a,6a]C[6a]S[5a])2(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]N)(S[5a]S[5a]){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a]H)(NOO){1|N<3>,1|S<2>,2|C<3>}	C[5a,6a,6a](C[5a,6a]C[6a]S[5a])2(C[6a,6a]C[6a]2){1|C<4>,2|C<3>,3|N<3>}	118.6910	0.000	1	118.3440	0.241	2	118.3440	0.241	2	120.2280	10.769	3	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]C)(S[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a]H)(CC3)	C[5a,6a,6a](C[5a,6a]C[6a]S[5a])2(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]C)(S[5a]S[5a]){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a]H)(CC3){1|N<3>,1|S<2>,2|C<3>}	C[5a,6a,6a](C[5a,6a]C[6a]S[5a])2(C[6a,6a]C[6a]2){1|C<4>,2|C<3>,3|N<3>}	121.5760	0.000	1	121.5760	0.000	1	121.5760	0.000	1	121.5760	0.000	1	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5,5a]C[5,5a]N[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5,5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[5a,6a]C[5,5a]C[6a])2	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5,5a]C[5,5a]N[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|P<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5,5a])(C[6a]C[5a,6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[5a,6a]C[5,5a]C[6a])2{2|H<1>,2|N<3>,4|C<3>}	117.9050	0.369	2	117.9050	0.136	2	117.9050	0.136	2	118.1255	1.492	158	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a,6a](C[5a,6a]C[5a,5a]C[6a])2(C[5a,6a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]H){1|B<3>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,5a])(C[6a]C[5a,6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a,6a](C[5a,6a]C[5a,5a]C[6a])2(C[5a,6a,6a]C[5a,6a]2){2|H<1>,2|N<3>,4|C<3>}	116.8695	0.515	2	116.8695	0.266	2	116.8695	0.266	2	118.1255	1.492	158	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]C[5a,5a]C[5,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a,6a](C[5a,6a]C[5a,5a]C[6a])2(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]C[5a,5a]C[5,5a])(C[6a]C[6a]H){1|H<1>,1|S<2>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a,6a](C[5a,6a]C[5a,5a]C[6a])2(C[6a,6a]C[6a]2){1|S<2>,3|C<3>,4|H<1>}	118.5250	0.000	1	118.5250	0.000	1	118.5403	1.389	6	118.1255	1.492	158	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]C[5a,5a]C[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a,6a](C[5a,6a]C[5a,5a]C[6a])2(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]C[5a,5a]C[5a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a,6a](C[5a,6a]C[5a,5a]C[6a])2(C[6a,6a]C[6a]2){4|C<3>,4|H<1>}	117.3550	1.061	2	117.3550	1.125	2	118.5403	1.389	6	118.1255	1.492	158	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a,6a](C[5a,6a]C[5a,5a]C[6a])2(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a,6a](C[5a,6a]C[5a,5a]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,4|H<1>}	119.7560	0.223	2	119.7560	0.050	2	118.5403	1.389	6	118.1255	1.492	158	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]C[5a,5a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a,6a](C[5a,6a]C[5a,5a]C[6a])2(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]C[5a,5a]S[5a])(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a,6a](C[5a,6a]C[5a,5a]C[6a])2(C[6a,6a]C[6a]2){1|S<2>,3|C<3>,4|H<1>}	118.4950	0.000	1	118.4950	0.000	1	118.5403	1.389	6	118.1255	1.492	158	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(C[6a]C[6a]H){1|B<4>,1|C<2>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a,6a]C[6a]2){1|B<4>,3|C<3>,4|H<1>}	118.4660	0.000	1	118.3367	0.206	4	118.5436	0.180	9	118.1255	1.492	158	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(C[6a]C[6a]H){1|B<4>,1|C<2>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a,6a]C[6a]2){1|Br<1>,1|B<4>,3|C<3>,3|H<1>}	118.3925	0.733	2	118.3367	0.206	4	118.5436	0.180	9	118.1255	1.492	158	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(C[6a]C[6a]H){1|H<1>,1|S<4>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a,6a]C[6a]2){1|S<4>,3|C<3>,4|H<1>}	118.0960	0.000	1	118.3367	0.206	4	118.5436	0.180	9	118.1255	1.492	158	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]N[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]N[6])(C[6a]C[6a]H){1|B<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a,6a]C[6a]2){1|B<4>,1|N<2>,2|C<3>,4|H<1>}	118.7090	0.359	5	118.7090	0.129	5	118.5436	0.180	9	118.1255	1.492	158	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(H)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(H){1|H<1>,6|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5a,6a]C[5a,6a]C[6a])2{1|C<4>,1|H<1>,6|C<3>}	119.4440	0.000	1	119.3535	0.016	2	119.3535	0.016	2	118.1255	1.492	158	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(H)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(H){1|H<1>,6|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5a,6a]C[5a,6a]C[6a])2{2|H<1>,6|C<3>}	119.2630	0.000	1	119.3535	0.016	2	119.3535	0.016	2	118.1255	1.492	158	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[5,6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5,6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[5,6a,6a]C[6a])(H)	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a,6a]C[5,6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[5,6a,6a]C[6a])(H){1|H<1>,6|C<3>}	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,7|C<3>}	119.5470	0.000	1	119.5470	0.000	1	119.5470	0.000	1	118.1255	1.492	158	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,6|C<3>}	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,7|C<3>}	120.2905	0.087	2	120.2905	0.008	2	120.2905	0.008	2	118.1255	1.492	158	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a,6a]-3:C[5,6a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[5,6a]H)(H)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[5,6a,6a]C[5,6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[5,6a]H)(H){1|C<4>,4|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[5,6a,6a]C[5,6a]2){1|H<1>,2|C<4>,5|C<3>}	115.0410	0.000	1	115.0410	0.000	1	115.0410	0.000	1	118.1255	1.492	158	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6,6a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6,6a]H)(H)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6,6a,6a]C[6,6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6,6a]H)(H){1|C<4>,4|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6,6a,6a]C[6,6a]2){1|H<1>,2|C<4>,5|C<3>}	114.1170	0.000	1	114.1170	0.000	1	114.1170	0.000	1	118.1255	1.492	158	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a]){2|H<1>,6|C<3>}	115.5720	0.352	2	115.5720	0.124	2	115.7015	0.098	6	118.1255	1.492	158	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a]){2|H<1>,6|C<3>}	115.8617	0.321	3	115.8617	0.103	3	115.7015	0.098	6	118.1255	1.492	158	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	115.4800	0.000	1	115.4800	0.000	1	115.7015	0.098	6	118.1255	1.492	158	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[3x6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a,6a]H)(H)	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[3x6a]C[6a,6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[3x6a]C[6a,6a]2){1|H<1>,7|C<3>}	118.7700	0.000	1	118.7700	0.000	1	118.0104	0.075	27	118.1255	1.492	158	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[3x6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a,6a]H)(H)	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a])2(C[3x6a]C[6a,6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a])2(C[3x6a]C[6a,6a]2){2|H<1>,6|C<3>}	117.8162	0.257	4	117.9812	0.054	26	118.0104	0.075	27	118.1255	1.492	158	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[3x6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a,6a]H)(H)	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a])2(C[3x6a]C[6a,6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a])2(C[3x6a]C[6a,6a]2){2|H<1>,6|C<3>}	117.8530	0.182	2	117.9812	0.054	26	118.0104	0.075	27	118.1255	1.492	158	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[3x6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a,6a]H)(H)	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a])2(C[3x6a]C[6a,6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a])2(C[3x6a]C[6a,6a]2){2|H<1>,6|C<3>}	118.0270	0.223	20	117.9812	0.054	26	118.0104	0.075	27	118.1255	1.492	158	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[5a,6a]H)(H)	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a])2(C[5a,6a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[5a,6a]H)(H){5|C<3>}	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a])2(C[5a,6a,6a]C[5a,6a]2){2|H<1>,6|C<3>}	116.8310	0.481	2	116.8310	0.231	2	116.8310	0.231	2	118.1255	1.492	158	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[5,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a]2){3|H<1>,5|C<3>}	118.2620	0.000	1	118.2620	0.000	1	118.3347	0.160	18	118.1255	1.492	158	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a])2(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a])2(C[6a,6a]C[6a]2){4|C<3>,4|H<1>}	118.2513	0.433	11	118.2664	0.165	13	118.3347	0.160	18	118.1255	1.492	158	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a])2(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a])2(C[6a,6a]C[6a]2){4|C<3>,4|H<1>}	118.3495	0.308	2	118.2664	0.165	13	118.3347	0.160	18	118.1255	1.492	158	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]S[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a])2(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]S[6a])(C[6a]C[6a]H){1|H<1>,1|S<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|S<2>,4|H<1>}	118.7370	0.249	3	118.7370	0.062	3	118.3347	0.160	18	118.1255	1.492	158	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a,6a]C[6a]2){4|C<3>,4|H<1>}	118.0880	0.000	1	118.0880	0.000	1	118.3347	0.160	18	118.1255	1.492	158	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]N[6a]C)(H)	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a]N[6a])	C[5a,6a](C[5a,6a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]N[6a]C)(H){1|N<3>,3|C<3>}	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a]N[6a]){1|H<1>,1|O<1>,5|C<3>}	116.7750	0.129	2	116.7750	0.017	2	116.7750	0.017	2	118.1255	1.492	158	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6,6a,6a]-3:N[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[6,6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6,6a]H)(H)	C[5a,6a,6a](C[6,6a,6a]B[6,6,6a]C[6,6a])(N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a,6a]C[6,6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|B<3>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6,6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a,6a](C[6,6a,6a]B[6,6,6a]C[6,6a])(N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	116.6910	0.000	1	116.6910	0.000	1	116.6910	0.000	1	118.1255	1.492	158	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]Cl)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]Cl)(Cl)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]Cl){1|Cl<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|O<1>,3|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a,6a]C[6a]2){3|Cl<1>,1|O<1>,4|C<3>}	117.9170	0.000	1	117.9170	0.000	1	117.9170	0.000	1	118.1255	1.492	158	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[5a,6a]C[5a]C[6a])2	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[5a,6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[5a,6a]C[5a]C[6a])2{4|C<3>,4|H<1>}	116.6115	0.053	2	116.6115	0.003	2	117.4360	0.819	25	118.1255	1.492	158	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[5a,6a]C[5a]C[6a])2	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[5a,6a]H)(H){1|N<2>,4|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[5a,6a]C[5a]C[6a])2{2|H<1>,2|N<2>,4|C<3>}	117.7665	0.611	10	117.8986	0.301	18	117.4360	0.819	25	118.1255	1.492	158	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[5a,6a]C[5a]C[6a])2	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[5a,6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[5a,6a]C[5a]C[6a])2{1|N<2>,1|N<3>,2|H<1>,4|C<3>}	117.8300	0.000	1	117.8986	0.301	18	117.4360	0.819	25	118.1255	1.492	158	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[5a,6a]C[5a]C[6a])2	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[5a,6a]H)(H){1|N<2>,4|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[5a,6a]C[5a]C[6a])2{1|N<2>,1|N<3>,2|H<1>,4|C<3>}	117.4110	0.000	1	117.8986	0.301	18	117.4360	0.819	25	118.1255	1.492	158	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[5a,6a]C[5a]C[6a])2	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[5a,6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[5a,6a]C[5a]C[6a])2{2|H<1>,2|N<3>,4|C<3>}	118.2113	0.387	6	117.8986	0.301	18	117.4360	0.819	25	118.1255	1.492	158	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]S[5a])	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a]C[6a]S[5a])(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[5a,6a]H)(H){2|S<2>,3|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]S[5a]){1|S<2>,2|H<1>,4|C<3>}	115.9720	0.158	4	115.9720	0.025	4	117.4360	0.819	25	118.1255	1.492	158	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a]N[5a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[5a,6a]C[5a])(H)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]N[5a])	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a]N[5a]O)(C[6a]C[6a]H){1|C<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[5a,6a]C[5a])(H){1|O<1>,1|S<2>,2|N<3>,3|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]N[5a]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	116.6150	0.000	1	116.6150	0.000	1	117.4360	0.819	25	118.1255	1.492	158	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a,6a]C[6a]2){1|O<1>,3|H<1>,4|C<3>}	117.7670	0.350	7	117.7670	0.123	7	117.7670	0.123	7	118.1255	1.492	158	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]O)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5a,6a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a,6a]C[6a]2){2|H<1>,2|O<1>,4|C<3>}	120.4480	0.000	1	120.4480	0.000	1	118.8807	0.998	16	118.1255	1.492	158	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]Si)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]Si)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5a,6a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a,6a]C[6a]2){1|Si<4>,3|C<3>,4|H<1>}	117.5045	0.023	2	117.5045	0.001	2	118.8807	0.998	16	118.1255	1.492	158	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	120.1330	0.000	1	118.6320	1.367	4	118.8807	0.998	16	118.1255	1.492	158	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|H<1>,1|S<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a]2){1|S<4>,3|C<3>,4|H<1>}	118.1317	0.740	3	118.6320	1.367	4	118.8807	0.998	16	118.1255	1.492	158	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]O[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a,6a]C[6a]N[6a])	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]O[5a]C)(C[6a]C[6a]H){1|N<2>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]O)(H){2|O<2>,3|C<3>}	C[5a,6a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a,6a]C[6a]N[6a]){1|O<2>,2|H<1>,3|C<3>}	118.8140	0.000	1	118.8140	0.000	1	118.8807	0.998	16	118.1255	1.492	158	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]C)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a,6a]C[6a]2){3|C<3>,4|H<1>}	118.3843	0.463	3	118.3843	0.214	3	118.8807	0.998	16	118.1255	1.492	158	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]N)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5a,6a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a,6a]C[6a]2){1|N<2>,1|O<2>,2|C<3>,3|H<1>}	119.5952	0.365	4	119.6280	0.105	5	118.8807	0.998	16	118.1255	1.492	158	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]N)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5a,6a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a,6a]C[6a]2){1|N<2>,2|C<3>,4|H<1>}	119.7590	0.000	1	119.6280	0.105	5	118.8807	0.998	16	118.1255	1.492	158	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){2|C<4>,2|H<1>,4|C<3>}	118.4970	0.000	1	118.7583	0.099	4	118.7583	0.099	4	118.1255	1.492	158	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	C[5a,6a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){1|C<2>,3|H<1>,4|C<3>}	118.7240	0.000	1	118.7583	0.099	4	118.7583	0.099	4	118.1255	1.492	158	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){1|C<4>,3|H<1>,4|C<3>}	118.9060	0.430	2	118.7583	0.099	4	118.7583	0.099	4	118.1255	1.492	158	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a,6a]C[5a]C[6a])	C[5a,6a](C[5a,6a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a,6a]C[5a]C[6a]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	117.9490	0.000	1	118.0210	0.010	2	118.0210	0.010	2	118.1255	1.492	158	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a,6a]C[5a]C[6a])	C[5a,6a](C[5a,6a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a,6a]C[5a]C[6a]){1|O<1>,3|C<3>,4|H<1>}	118.0930	0.000	1	118.0210	0.010	2	118.0210	0.010	2	118.1255	1.492	158	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a,6a]C[6a]S[6a])	C[5a,6a](C[5a,6a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a,6a]C[6a]S[6a]){2|H<1>,5|C<3>}	119.8330	0.000	1	119.8330	0.000	1	119.8330	0.000	1	118.1255	1.492	158	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	120.9310	0.000	1	120.9310	0.000	1	120.4528	0.260	4	118.1255	1.492	158	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a]2){1|S<4>,3|C<3>,4|H<1>}	120.2933	0.488	3	120.2933	0.238	3	120.4528	0.260	4	118.1255	1.492	158	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|F<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5a,6a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a,6a]C[6a]2){1|B<4>,1|N<2>,2|C<3>,4|H<1>}	119.7030	0.287	5	119.5652	0.251	8	119.7537	0.540	9	118.1255	1.492	158	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5a,6a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a,6a]C[6a]2){1|B<4>,3|C<3>,4|H<1>}	120.1600	0.000	1	119.5652	0.251	8	119.7537	0.540	9	118.1255	1.492	158	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|Br<1>,1|B<4>,3|C<3>}	C[5a,6a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a,6a]C[6a]2){1|Br<1>,1|B<4>,3|C<3>,3|H<1>}	118.9235	0.398	2	119.5652	0.251	8	119.7537	0.540	9	118.1255	1.492	158	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6]S[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6]S[6])(C[6a]C[6a]H){1|H<1>,2|O<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a,6a]C[6a]2){1|S<4>,3|C<3>,4|H<1>}	121.2610	0.000	1	121.2610	0.000	1	119.7537	0.540	9	118.1255	1.492	158	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a,6a]C[6a]2){4|C<3>,4|H<1>}	120.6170	0.000	1	120.6170	0.000	1	120.6170	0.000	1	118.1255	1.492	158	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6,6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]N[5a])(C[6,6a]C[6,6a,6a]C[6])(H)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[3x6a]C[6,6a,6a]C[3x6a])(C[5a,6a]C[6a]N[5a])	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6,6a]H){7|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]N[5a])(C[6,6a]C[6,6a,6a]C[6])(H){1|N<3>,1|O<1>,5|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[3x6a]C[6,6a,6a]C[3x6a])(C[5a,6a]C[6a]N[5a]){1|H<1>,7|C<3>}	116.9200	0.000	1	116.9200	0.000	1	116.6887	0.165	3	118.1255	1.492	158	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(N[5a]C[5a,6a]H)(C[6a]C[6,6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]N[5a])(C[6,6a]C[6,6a,6a]C[6])(H)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[3x6a]C[6,6a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(N[5a]C[5a,6a]H)(C[6a]C[6,6a]H){5|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]N[5a])(C[6,6a]C[6,6a,6a]C[6])(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[3x6a]C[6,6a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a]){2|H<1>,6|C<3>}	116.5730	0.501	2	116.5730	0.251	2	116.6887	0.165	3	118.1255	1.492	158	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a,6a]-3:C[5a,6a]-3:C[3x6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(H)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a]N[5a])(C[3x6a]C[3x6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H){7|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(H){1|N<3>,1|O<1>,5|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a]N[5a])(C[3x6a]C[3x6a]2){1|H<1>,7|C<3>}	116.3610	0.000	1	116.3610	0.000	1	116.3610	0.000	1	118.1255	1.492	158	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a,6a]-3:C[3x6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]N[5a])(C[6a]C[6a,6a]C)(H)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a]N[5a])(C[3x6a]C[6a,6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){7|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]N[5a])(C[6a]C[6a,6a]C)(H){5|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a]N[5a])(C[3x6a]C[6a,6a]2){1|H<1>,7|C<3>}	118.1190	0.000	1	118.1190	0.000	1	117.9570	0.052	2	118.1255	1.492	158	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a,6a]-3:C[3x6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]N[5a])(C[6a]C[6a,6a]C[5])(H)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a]N[5a])(C[3x6a]C[6a,6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){7|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]N[5a])(C[6a]C[6a,6a]C[5])(H){2|S<2>,5|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a]N[5a])(C[3x6a]C[6a,6a]2){1|H<1>,7|C<3>}	117.7950	0.000	1	117.7950	0.000	1	117.9570	0.052	2	118.1255	1.492	158	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]N)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a,6a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]N)(C[6a]C[6a]O){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5a,6a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a,6a]C[6a]2){1|N<2>,1|O<2>,2|C<3>,3|H<1>}	119.1292	0.485	4	119.1292	0.235	4	119.1292	0.235	4	119.1292	0.235	4	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|H<1>,8|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a]){8|C<3>}	117.6090	1.054	2	117.6090	1.110	2	117.6090	1.110	2	119.2133	2.128	12	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|H<1>,8|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a]){8|C<3>}	120.6840	0.000	1	120.6840	0.000	1	120.6840	0.000	1	119.2133	2.128	12	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[5a]C[6a])(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[5a,6a]H)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]N[5a])	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,1|O<1>,1|S<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[5a,6a]H){1|C<4>,1|H<1>,6|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]N[5a]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	117.0070	0.000	1	117.0070	0.000	1	117.0070	0.000	1	119.2133	2.128	12	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[6a]C[6a,6a]C[5a])(N[5a]C[5a,6a]Ni)	C[6a](C[5a,6a]C[5a,6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[6a]C[6a,6a]C[5a])(N[5a]C[5a,6a]Ni){1|N<3>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a]){1|Ni<4>,2|H<1>,7|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a]){1|Ni<4>,1|H<1>,6|C<3>}	118.7160	0.300	4	118.7160	0.090	4	119.7062	1.167	8	119.2133	2.128	12	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[6a]C[6a,6a]C[5a])(N[5a]C[5a,6a]Pt)	C[6a](C[5a,6a]C[5a,6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[6a]C[6a,6a]C[5a])(N[5a]C[5a,6a]Pt){1|N<3>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a]){1|Pt<4>,2|H<1>,7|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a]){1|Pt<4>,1|H<1>,6|C<3>}	120.6965	0.136	4	120.6965	0.018	4	119.7062	1.167	8	119.2133	2.128	12	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a,6a]-3:C[5a,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]C[5a,5a]C[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,5a])(C[6a]C[6a]H)(CH3)	C[5a,6a,6a](C[5a,6a]C[5a,5a]C[6a])2(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]C[5a,5a]C[5a])(C[6a]C[6a]C){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,5a])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	C[5a,6a,6a](C[5a,6a]C[5a,5a]C[6a])2(C[6a,6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	119.5955	0.243	2	119.5955	0.059	2	119.5955	0.059	2	118.9006	2.805	8	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C-4:	C[5a,6a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(CH3)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C){1|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(CH3){1|H<1>,6|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5a,6a]C[5a,6a]C[6a])2{1|C<4>,1|H<1>,6|C<3>}	119.7430	0.000	1	119.7430	0.000	1	119.7430	0.000	1	118.9006	2.805	8	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[5a,6a]C)(CBrHH)	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a])2(C[5a,6a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C){2|C<4>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[5a,6a]C)(CBrHH){5|C<3>}	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a])2(C[5a,6a,6a]C[5a,6a]2){2|C<4>,6|C<3>}	116.2780	0.440	2	116.2780	0.193	2	116.2780	0.193	2	118.9006	2.805	8	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[3x6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a]S[5a]N)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a,6a]H)(CC3)	C[5a,6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]S[5a])	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a]S[5a]N)(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a,6a]H)(CC3){1|N<2>,1|S<2>,3|C<3>}	C[5a,6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]S[5a]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	119.1290	0.000	1	119.1290	0.000	1	119.1290	0.000	1	118.9006	2.805	8	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]O)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a,6a](C[5a,6a]C[5a]C[6a])2(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]O)(C[6a]C[6a]C){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|H<1>,1|O<1>,3|C<3>}	C[5a,6a,6a](C[5a,6a]C[5a]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	120.2930	0.139	2	120.2930	0.019	2	120.2930	0.019	2	118.9006	2.805	8	118.4442	2.183	248	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:2:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a])(H){4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	119.0590	0.000	1	119.0590	0.000	1	119.0590	0.000	1	119.0590	0.000	1	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:2:3:	3:3:2:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a,6]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a,6]N[6a])(N[5a]C[5a,6])(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a,6]N[6a])(N[5a]C[5a,6])(C[6a]N[6a]N){1|C<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	117.0465	0.138	2	117.0465	0.019	2	117.0465	0.019	2	117.0465	0.019	2	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:2:4:	3:3:2:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:N[5a,6]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a,6]N[6a])(N[5a]C[5a,6])(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a,6]N[6a])(N[5a]C[5a,6])(C[6a]N[6a]C){1|C<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(N[6a]C[6a]){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	117.1165	0.052	2	117.1165	0.003	2	117.1165	0.003	2	117.9838	3.636	4	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:2:4:	3:3:2:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[6a]-2:C-4:	N[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CH3)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]N[6a]C){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	116.8640	0.000	1	116.8640	0.000	1	116.8640	0.000	1	117.9838	3.636	4	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:2:4:	3:3:2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(O[5a]C[5a,6a])(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(O[5a]C[5a,6a])(C[6a]N[6a]C){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a])(CH3){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	120.8380	0.000	1	120.8380	0.000	1	120.8380	0.000	1	117.9838	3.636	4	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:2:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,5a])(C[6a]C[6a]Cl)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]Cl)(Cl)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,5a])(C[6a]C[6a]Cl)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,5a])(C[6a]C[6a]Cl){2|Cl<1>,1|C<3>,2|O<2>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|B<4>,1|C<3>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,5a])(C[6a]C[6a]Cl){2|Cl<1>,1|C<3>,2|O<2>}	121.2567	0.318	4	121.2567	0.101	4	121.2567	0.101	4	121.5561	0.174	153	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:2:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[4,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[4,5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[4,5a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|N<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[4,5a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|N<4>,2|H<1>}	121.8125	0.443	2	121.6374	0.170	10	121.5641	0.174	149	121.5561	0.174	153	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:2:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[4,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[4,5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[4,5a])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[4,5a])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<3>}	121.4895	0.581	4	121.6374	0.170	10	121.5641	0.174	149	121.5561	0.174	153	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:2:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[4,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[4,5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[4,5a])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<4>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[4,5a])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<4>}	121.6977	0.227	4	121.6374	0.170	10	121.5641	0.174	149	121.5561	0.174	153	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:2:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]H){1|C<3>,1|O<2>,1|O<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(H){1|B<4>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]C){1|C<3>,1|O<2>,1|O<3>,2|H<1>}	122.3540	0.000	1	122.3540	0.000	1	121.5641	0.174	149	121.5561	0.174	153	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:2:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|B<4>,1|C<3>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	122.0703	0.744	4	122.0703	0.554	4	121.5641	0.174	149	121.5561	0.174	153	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:2:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	121.6827	0.386	6	121.6039	0.122	29	121.5641	0.174	149	121.5561	0.174	153	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:2:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]H){1|C<3>,1|O<2>,1|O<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]H){1|C<3>,1|O<2>,1|O<3>,2|H<1>}	121.5195	0.534	4	121.6039	0.122	29	121.5641	0.174	149	121.5561	0.174	153	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:2:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<2>,2|H<1>}	121.8485	0.134	2	121.6039	0.122	29	121.5641	0.174	149	121.5561	0.174	153	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:2:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<3>}	121.4578	0.344	4	121.6039	0.122	29	121.5641	0.174	149	121.5561	0.174	153	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:2:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|O<2>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|O<2>}	121.5901	0.303	8	121.6039	0.122	29	121.5641	0.174	149	121.5561	0.174	153	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:2:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]H){1|N<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]H){1|N<4>,2|C<3>,2|H<1>}	121.6178	0.368	5	121.6039	0.122	29	121.5641	0.174	149	121.5561	0.174	153	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:2:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(H){1|B<4>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,5a])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|O<2>}	121.6915	0.383	2	121.6915	0.146	2	121.5641	0.174	149	121.5561	0.174	153	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:2:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,5a])(C[6a]C[6a]C){1|C<3>,2|H<1>,2|O<2>}	121.5117	0.340	4	121.5117	0.116	4	121.5641	0.174	149	121.5561	0.174	153	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:2:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,5a])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|O<2>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|C<4>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	121.3365	0.390	2	121.4902	0.147	53	121.5641	0.174	149	121.5561	0.174	153	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:2:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,5a])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|O<2>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,5a])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|O<2>}	121.4962	0.386	51	121.4902	0.147	53	121.5641	0.174	149	121.5561	0.174	153	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:2:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(H){1|B<4>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<3>}	120.8360	0.000	1	120.8360	0.000	1	121.5641	0.174	149	121.5561	0.174	153	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:2:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|O<2>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]2){2|H<1>,2|O<2>,3|C<3>}	121.7853	0.269	6	121.7853	0.072	6	121.5641	0.174	149	121.5561	0.174	153	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:2:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	121.5668	0.494	10	121.5277	0.203	39	121.5641	0.174	149	121.5561	0.174	153	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:2:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H){1|C<3>,1|O<2>,1|P<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H){1|C<3>,1|O<2>,1|P<4>,2|H<1>}	121.6670	0.508	2	121.5277	0.203	39	121.5641	0.174	149	121.5561	0.174	153	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:2:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<3>}	121.4915	0.777	6	121.5277	0.203	39	121.5641	0.174	149	121.5561	0.174	153	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:2:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<4>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<3>}	121.8870	0.000	1	121.5277	0.203	39	121.5641	0.174	149	121.5561	0.174	153	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:2:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|O<2>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|O<2>}	121.5542	0.353	12	121.5277	0.203	39	121.5641	0.174	149	121.5561	0.174	153	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:2:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	121.4065	0.375	2	121.5277	0.203	39	121.5641	0.174	149	121.5561	0.174	153	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:2:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	121.3797	0.268	6	121.5277	0.203	39	121.5641	0.174	149	121.5561	0.174	153	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a,5a]N[6a])(N[5a]N[5a,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,6a]N[5a,5a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a,5a]N[6a])(N[5a]N[5a,5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|N<3>}	C[5a,6a](N[5a,5a]C[5a,6a]N[5a,5a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	117.3100	0.000	1	117.3100	0.000	1	117.3100	0.000	1	122.0669	3.392	27	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a]){2|H<1>,4|C<3>}	115.9330	0.000	1	115.9330	0.000	1	115.9330	0.000	1	122.0669	3.392	27	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C[6])(O[5a]B[5a,6])	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C[6])(O[5a]B[5a,6]){2|H<1>,2|N<3>,3|C<3>}	121.5243	0.431	6	121.5243	0.185	6	121.5243	0.185	6	122.0669	3.392	27	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(O[5a]C[5a,6a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a]2)(O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(O[5a]C[5a,6a])(C[6a]N[6a]O){4|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a]2)(O){1|N<2>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(N[6a]C[6a]){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	123.3718	0.430	6	123.4433	0.154	8	123.4573	0.126	11	122.0669	3.392	27	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(O[5a]C[5a,6a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a]2)(O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(O[5a]C[5a,6a])(C[6a]N[6a]O){4|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a]2)(O){1|N<2>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(N[6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	123.6575	0.177	2	123.4433	0.154	8	123.4573	0.126	11	122.0669	3.392	27	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(O[5a]C[5a,6a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(O[5a]C[5a,6a])(C[6a]N[6a]O){1|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a]C)(O){1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(N[6a]C[6a]){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	123.5490	0.000	1	123.4947	0.087	3	123.4573	0.126	11	122.0669	3.392	27	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(O[5a]C[5a,6a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(O[5a]C[5a,6a])(C[6a]N[6a]O){1|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a]C)(O){1|N<2>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(N[6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	123.4675	0.411	2	123.4947	0.087	3	123.4573	0.126	11	122.0669	3.392	27	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:2:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,5a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,5a]N[6a])(S[5a]C[5a,5a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]2)(O)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,5a]N[6a])(S[5a]C[5a,5a])(C[6a]N[6a]O){1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]2)(O){1|N<2>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(N[6a]C[6a]){1|C<3>,1|O<1>,1|O<2>,1|S<2>,2|N<3>}	122.9160	0.000	1	122.9160	0.000	1	122.9160	0.000	1	122.0669	3.392	27	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:2:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(S[5a]C[5a,6a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]2)(O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(S[5a]C[5a,6a])(C[6a]N[6a]O){4|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]2)(O){1|N<2>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(N[6a]C[6a]){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	121.7406	0.582	5	121.7358	0.271	6	121.7814	0.240	7	122.0669	3.392	27	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:2:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(S[5a]C[5a,6a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]2)(O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(S[5a]C[5a,6a])(C[6a]N[6a]O){4|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]2)(O){1|N<2>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(N[6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	121.7120	0.000	1	121.7358	0.271	6	121.7814	0.240	7	122.0669	3.392	27	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:2:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(S[5a]C[5a,6a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(S[5a]C[5a,6a])(C[6a]N[6a]O){1|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]C)(O){1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(N[6a]C[6a]){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	122.0550	0.000	1	122.0550	0.000	1	121.7814	0.240	7	122.0669	3.392	27	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]F){2|F<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F){1|F<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F){1|O<1>,2|F<1>,3|C<3>}	120.8920	0.000	1	120.8920	0.000	1	120.8920	0.000	1	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[3,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[3,5a]C[6a])(N[5a]N[3,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[3,5a]N[3,5a]H[3])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[3,5a]C[6a])(N[5a]N[3,5a])(C[6a]C[6a]H){1|H<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<4>,2|C<3>}	C[5a,6a](C[3,5a]N[3,5a]H[3])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|H<1>}	119.3600	0.000	1	119.3600	0.000	1	119.3600	0.000	1	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]N[5,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]N[5,5a]N[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]N[5,5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5,5a]N[5,5a]N[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	119.7880	0.429	2	119.7880	0.184	2	119.7880	0.184	2	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	120.8935	0.139	2	120.8935	0.019	2	120.8099	0.447	14	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]N[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]N[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	119.5260	0.000	1	119.5260	0.000	1	120.8099	0.447	14	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	121.5290	0.000	1	120.9214	0.453	9	120.8099	0.447	14	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	121.3713	0.460	3	120.9214	0.453	9	120.8099	0.447	14	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	119.9690	0.000	1	120.9214	0.453	9	120.8099	0.447	14	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	120.9530	0.230	3	120.9214	0.453	9	120.8099	0.447	14	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	119.8220	0.000	1	120.9214	0.453	9	120.8099	0.447	14	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6]N[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]N[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	120.4240	0.000	1	120.4240	0.000	1	120.8099	0.447	14	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	121.3090	0.000	1	121.3090	0.000	1	120.8099	0.447	14	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<3>,2|H<1>}	119.9810	0.000	1	121.1815	0.563	11	120.9559	0.492	19	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	120.1930	0.000	1	121.1815	0.563	11	120.9559	0.492	19	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|F<1>,1|O<2>,2|C<3>,2|H<1>}	120.7840	0.000	1	121.1815	0.563	11	120.9559	0.492	19	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	120.9925	0.709	2	121.1815	0.563	11	120.9559	0.492	19	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	121.4580	0.437	3	121.1815	0.563	11	120.9559	0.492	19	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	122.3130	0.000	1	121.1815	0.563	11	120.9559	0.492	19	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	121.6835	0.288	2	121.1815	0.563	11	120.9559	0.492	19	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	120.8740	0.000	1	120.8740	0.000	1	120.9559	0.492	19	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	120.8320	0.148	2	120.8320	0.022	2	120.9559	0.492	19	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	120.1057	0.297	3	120.4442	0.517	4	120.9559	0.492	19	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	121.4600	0.000	1	120.4442	0.517	4	120.9559	0.492	19	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]I)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(C[6a]C[6a]H){1|H<1>,1|I<1>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]I){2|H<1>,3|C<3>}	120.8510	0.000	1	120.8510	0.000	1	120.9559	0.492	19	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	119.5780	0.000	1	119.2634	0.487	22	119.2878	0.478	23	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	118.2180	0.000	1	119.2634	0.487	22	119.2878	0.478	23	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,4|H<1>}	119.3875	0.185	2	119.2634	0.487	22	119.2878	0.478	23	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|S<2>,2|C<3>,4|H<1>}	119.5890	0.040	2	119.2634	0.487	22	119.2878	0.478	23	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|S<2>,2|C<3>,2|H<1>}	119.3280	0.000	1	119.2634	0.487	22	119.2878	0.478	23	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	119.1930	0.453	2	119.2634	0.487	22	119.2878	0.478	23	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	119.4870	0.000	1	119.2634	0.487	22	119.2878	0.478	23	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|C<3>,3|H<1>}	118.8801	0.961	7	119.2634	0.487	22	119.2878	0.478	23	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	120.3240	0.000	1	119.2634	0.487	22	119.2878	0.478	23	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,1|S<2>,2|H<1>}	119.5480	0.000	1	119.2634	0.487	22	119.2878	0.478	23	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	119.6040	0.423	3	119.2634	0.487	22	119.2878	0.478	23	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|N<3>,1|S<1>,2|C<3>,2|H<1>}	119.8250	0.000	1	119.8250	0.000	1	119.2878	0.478	23	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|N<2>}	119.0920	0.000	1	119.0337	0.101	4	119.9642	0.396	54	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	119.0880	0.000	1	119.0337	0.101	4	119.9642	0.396	54	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	118.5970	0.000	1	119.0337	0.101	4	119.9642	0.396	54	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	119.3580	0.000	1	119.0337	0.101	4	119.9642	0.396	54	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|F<1>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|H<1>,4|C<3>}	120.3740	0.000	1	120.3740	0.000	1	119.9642	0.396	54	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	120.2100	0.000	1	120.0283	0.358	48	119.9642	0.396	54	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	119.9310	0.000	1	120.0283	0.358	48	119.9642	0.396	54	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	119.2840	0.546	2	120.0283	0.358	48	119.9642	0.396	54	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,4|H<1>}	120.2520	0.000	1	120.0283	0.358	48	119.9642	0.396	54	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	119.5970	0.000	1	120.0283	0.358	48	119.9642	0.396	54	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|C<3>,3|H<1>}	119.0830	0.214	2	120.0283	0.358	48	119.9642	0.396	54	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	120.2850	0.000	1	120.0283	0.358	48	119.9642	0.396	54	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|F<1>,2|H<1>}	120.0800	0.000	1	120.0283	0.358	48	119.9642	0.396	54	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	119.3480	0.000	1	120.0283	0.358	48	119.9642	0.396	54	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	120.1070	0.000	1	120.0283	0.358	48	119.9642	0.396	54	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.7490	0.000	1	120.0283	0.358	48	119.9642	0.396	54	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.5960	0.000	1	120.0283	0.358	48	119.9642	0.396	54	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	119.8990	0.000	1	120.0283	0.358	48	119.9642	0.396	54	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	119.8450	0.000	1	120.0283	0.358	48	119.9642	0.396	54	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	120.0700	0.000	1	120.0283	0.358	48	119.9642	0.396	54	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	120.1028	0.856	13	120.0283	0.358	48	119.9642	0.396	54	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	120.0170	0.152	3	120.0283	0.358	48	119.9642	0.396	54	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	120.4150	0.000	1	120.0283	0.358	48	119.9642	0.396	54	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	120.7300	0.000	1	120.0283	0.358	48	119.9642	0.396	54	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	120.6520	0.000	1	120.0283	0.358	48	119.9642	0.396	54	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	120.3043	0.053	3	120.0283	0.358	48	119.9642	0.396	54	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.0845	0.222	4	120.0283	0.358	48	119.9642	0.396	54	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	119.8650	0.000	1	120.0283	0.358	48	119.9642	0.396	54	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	120.6380	0.000	1	120.0283	0.358	48	119.9642	0.396	54	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){3|C<3>,3|H<1>}	119.2110	0.000	1	120.0283	0.358	48	119.9642	0.396	54	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	119.7535	0.569	2	120.0283	0.358	48	119.9642	0.396	54	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){3|C<3>,3|H<1>}	120.1980	0.000	1	120.1980	0.000	1	119.9642	0.396	54	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H){1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a]){1|H<1>,1|N<2>,6|C<3>}	121.6260	0.613	4	121.6260	0.376	4	121.6260	0.376	4	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](N[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](N[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	119.3930	0.000	1	119.3930	0.000	1	119.8370	0.212	3	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5,5a]C[5,5a]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5,5a]C[5,5a]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	120.0590	0.358	2	120.0590	0.128	2	119.8370	0.212	3	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	119.0200	0.000	1	119.1881	0.318	14	119.1043	0.435	16	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	118.4420	0.000	1	119.1881	0.318	14	119.1043	0.435	16	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	120.2050	0.000	1	119.1881	0.318	14	119.1043	0.435	16	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	119.2815	0.180	2	119.1881	0.318	14	119.1043	0.435	16	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	119.6850	0.353	3	119.1881	0.318	14	119.1043	0.435	16	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,3|H<1>}	118.8005	0.470	4	119.1881	0.318	14	119.1043	0.435	16	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	118.7650	0.000	1	119.1881	0.318	14	119.1043	0.435	16	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<1>,1|S<2>,2|C<3>,2|H<1>}	119.3820	0.000	1	119.1881	0.318	14	119.1043	0.435	16	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	117.6250	0.000	1	117.6250	0.000	1	119.1043	0.435	16	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]N[5a,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,6a]N[5a,5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]N[5a,5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<3>}	C[5a,6a](N[5a,5a]C[5a,6a]N[5a,5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<2>}	119.4090	0.000	1	119.4090	0.000	1	119.1043	0.435	16	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	121.0390	0.000	1	121.0390	0.000	1	120.0730	0.305	5	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	119.8087	0.153	3	119.8315	0.018	4	120.0730	0.305	5	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	119.9000	0.000	1	119.8315	0.018	4	120.0730	0.305	5	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]N[5a,6])(C[5a,6a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H){1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]N[5a,6])(C[5a,6a]C[6a]N[5a]){1|H<1>,1|N<2>,6|C<3>}	121.1210	0.000	1	121.1210	0.000	1	121.1210	0.000	1	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	119.4320	0.000	1	120.3165	1.565	2	119.8568	0.424	41	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	121.2010	0.000	1	120.3165	1.565	2	119.8568	0.424	41	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	119.8845	0.643	2	119.8845	0.413	2	119.8568	0.424	41	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	120.6880	0.339	2	120.6880	0.115	2	119.8568	0.424	41	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H)	C[5a,6a](N[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.2280	0.000	1	119.2280	0.000	1	119.8568	0.424	41	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	119.5100	0.000	1	119.5100	0.000	1	119.8568	0.424	41	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<4>,2|H<1>,3|C<3>}	119.7920	0.283	2	119.7920	0.080	2	119.8568	0.424	41	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	118.1700	0.000	1	119.8449	0.439	28	119.8568	0.424	41	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	119.8910	0.341	2	119.8449	0.439	28	119.8568	0.424	41	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	120.3380	0.028	2	119.8449	0.439	28	119.8568	0.424	41	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	120.5870	0.425	3	119.8449	0.439	28	119.8568	0.424	41	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	119.2860	0.000	1	119.8449	0.439	28	119.8568	0.424	41	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	120.3287	0.318	4	119.8449	0.439	28	119.8568	0.424	41	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	119.8270	0.788	3	119.8449	0.439	28	119.8568	0.424	41	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	119.8790	0.413	5	119.8449	0.439	28	119.8568	0.424	41	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	119.0282	0.236	4	119.8449	0.439	28	119.8568	0.424	41	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|C<3>,2|N<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	119.8927	0.227	3	119.8449	0.439	28	119.8568	0.424	41	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|C<3>,2|N<3>}	C[5a,6a](N[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	119.3390	0.223	2	119.3390	0.050	2	119.8568	0.424	41	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	119.6930	0.000	1	119.6930	0.000	1	119.8568	0.424	41	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:I-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(C[6a]C[6a]I)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]O[6a]C[6])(I)	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]O[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(C[6a]C[6a]I){1|N<2>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]O[6a]C[6])(I){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]O[6a]O){1|I<1>,3|C<3>}	119.6550	0.000	1	119.6550	0.000	1	119.6550	0.000	1	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]N[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(H){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	121.3075	0.032	2	121.3075	0.001	2	121.3075	0.001	2	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]Br)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(Br)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]Br){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(Br){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|Br<1>,2|H<1>,3|C<3>}	122.3980	0.000	1	122.3980	0.000	1	122.3980	0.000	1	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(O[5a]C[5,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]B[5])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(O[5a]C[5,5a])(C[6a]C[6a]H){1|B<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]B[5])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	126.2010	0.000	1	126.2010	0.000	1	124.2794	0.435	11	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(O[5a]C[5,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]Ge[5])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(O[5a]C[5,5a])(C[6a]C[6a]H){1|Ge<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]Ge[5])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	124.0350	0.000	1	124.1720	0.038	2	124.2794	0.435	11	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(O[5a]C[5,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]Ge[5])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(O[5a]C[5,5a])(C[6a]C[6a]H){1|Ge<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]Ge[5])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	124.3090	0.000	1	124.1720	0.038	2	124.2794	0.435	11	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(O[5a]C[5,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]N[5])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(O[5a]C[5,5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]N[5])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	123.9730	0.000	1	123.9730	0.000	1	124.2794	0.435	11	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(O[5a]C[5,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]P[5])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(O[5a]C[5,5a])(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]P[5])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	124.2680	0.264	2	124.0865	0.044	6	124.2794	0.435	11	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(O[5a]C[5,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]P[5])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(O[5a]C[5,5a])(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]P[5])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|S<1>,2|H<1>,4|C<3>}	123.9958	0.131	4	124.0865	0.044	6	124.2794	0.435	11	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(O[5a]C[5,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(O[5a]C[5,5a])(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	124.0360	0.000	1	124.0360	0.000	1	124.2794	0.435	11	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(O[5a]C[5a,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(O[5a]C[5a,5a])(C[6a]C[6a]H){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]2)(H){1|H<1>,5|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	123.9520	0.000	1	123.9520	0.000	1	123.7043	0.190	10	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(O[5a]C[5a,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(O[5a]C[5a,5a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]Br)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	123.3750	0.000	1	123.3750	0.000	1	123.7043	0.190	10	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(O[5a]C[5a,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(O[5a]C[5a,5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	123.9260	0.000	1	123.9260	0.000	1	123.7043	0.190	10	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(O[5a]C[5a,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(O[5a]C[5a,5a])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){4|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	124.0785	0.141	2	124.0785	0.020	2	123.7043	0.190	10	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(O[5a]C[5a,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(O[5a]C[5a,5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	123.9075	0.264	2	123.9075	0.070	2	123.7043	0.190	10	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(O[5a]C[5a,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(O[5a]C[5a,5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	122.8390	0.000	1	122.8390	0.000	1	123.7043	0.190	10	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(O[5a]C[5a,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(O[5a]C[5a,5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|Cl<1>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	123.8070	0.000	1	123.4895	0.202	2	123.7043	0.190	10	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(O[5a]C[5a,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(O[5a]C[5a,5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	123.1720	0.000	1	123.4895	0.202	2	123.7043	0.190	10	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	124.7530	0.000	1	124.7530	0.000	1	124.1792	0.254	28	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5,6,6]C[5a,6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6]C[5,6,6]C[5a,6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	123.6660	0.000	1	123.6660	0.000	1	124.1792	0.254	28	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	123.8645	0.180	4	124.1401	0.282	22	124.1792	0.254	28	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	124.5110	0.240	7	124.1401	0.282	22	124.1792	0.254	28	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	123.6260	0.000	1	124.1401	0.282	22	124.1792	0.254	28	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	124.1490	0.169	5	124.1401	0.282	22	124.1792	0.254	28	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	124.2470	0.000	1	124.1401	0.282	22	124.1792	0.254	28	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	124.6700	0.000	1	124.1401	0.282	22	124.1792	0.254	28	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	123.0100	0.796	2	124.1401	0.282	22	124.1792	0.254	28	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>}	124.7400	0.000	1	124.1401	0.282	22	124.1792	0.254	28	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	124.3800	0.000	1	124.3792	0.044	4	124.1792	0.254	28	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	124.3790	0.256	3	124.3792	0.044	4	124.1792	0.254	28	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a,6])(O[5a]C[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a,6])(O[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(H){4|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a]){1|C<4>,2|H<1>,5|C<3>}	126.3840	0.000	1	126.3840	0.000	1	126.3840	0.000	1	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a,6])(O[5a]C[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a,6])(C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]O[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[5a,6])(O[5a]C[5a,6])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[5a,6a]H)(H){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a,6])(C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]O[5a]){1|Cd<4>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	125.4380	0.000	1	125.4380	0.000	1	125.4380	0.000	1	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]2)(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[5a,6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a,6a]C[5a,6a]2)2	C[5a,6a](C[5a,6a]C[5a,6a]2)(O[5a]C[5a,6a])(C[6a]C[6a]H){1|C<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[5a,6a]C)(H){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a,6a]C[5a,6a]2)2{1|H<1>,1|O<2>,6|C<3>}	124.0415	0.073	2	124.0415	0.005	2	124.5228	0.595	8	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]2)(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])	C[5a,6a](C[5a,6a]C[5a,6a]2)(O[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[5a,6a]H)(H){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a]){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	125.4340	0.000	1	125.4340	0.000	1	124.5228	0.595	8	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]2)(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]2)(O[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[5a,6a]H)(H){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a,6a]C[5a,6a]2){1|N<3>,2|H<1>,5|C<3>}	125.4590	0.055	2	125.4590	0.003	2	124.5228	0.595	8	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]2)(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a,6a]C[5a,6a]2)2	C[5a,6a](C[5a,6a]C[5a,6a]2)(O[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[5a,6a]H)(H){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a,6a]C[5a,6a]2)2{1|H<1>,1|N<3>,6|C<3>}	123.8910	0.031	2	123.8910	0.001	2	124.5228	0.595	8	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]2)(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[5a])(C[5a,6a]C[6a]O[5a])	C[5a,6a](C[5a,6a]C[5a,6a]2)(O[5a]C[5a,6a])(C[6a]C[6a]H){1|N<2>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[5a,6a]C[6a])(H){6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[5a])(C[5a,6a]C[6a]O[5a]){2|H<1>,5|C<3>}	123.9650	0.000	1	123.9650	0.000	1	124.5228	0.595	8	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]O[5a])(C[6,6a]C[6,6a]C[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6,6a]H)(H){4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]O[5a])(C[6,6a]C[6,6a]C[6]){1|H<1>,1|O<1>,6|C<3>}	123.6740	0.163	2	123.6740	0.026	2	124.2568	0.656	6	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a])(C[6,6a]C[6,6a]C[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6,6a]H)(H){4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a])(C[6,6a]C[6,6a]C[6]){1|H<1>,2|O<2>,6|C<3>}	125.0470	1.058	2	125.0470	1.119	2	124.2568	0.656	6	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6,6a]C[6,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6,6a]H)(H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6,6a]C[6,6a]2){1|C<4>,2|H<1>,5|C<3>}	124.0495	0.346	2	124.0495	0.120	2	124.2568	0.656	6	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a])(C[6a,6a]C[6a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(H){4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a])(C[6a,6a]C[6a,6a]2){1|H<1>,7|C<3>}	124.6557	0.444	4	124.6557	0.197	4	124.6557	0.197	4	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	124.2562	0.369	4	124.2562	0.136	4	123.8739	0.362	112	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|F<1>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]F)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	124.4350	0.000	1	124.4350	0.000	1	123.8739	0.362	112	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	124.5520	0.000	1	124.5520	0.000	1	123.8739	0.362	112	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	123.8268	0.522	4	123.8268	0.273	4	123.8739	0.362	112	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<2>}	124.2790	0.000	1	124.6493	0.138	6	123.8739	0.362	112	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	124.7234	0.363	5	124.6493	0.138	6	123.8739	0.362	112	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]2){3|H<1>,5|C<3>}	124.1390	0.000	1	123.8820	0.132	2	123.8739	0.362	112	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]2){1|O<2>,2|H<1>,5|C<3>}	123.6250	0.000	1	123.8820	0.132	2	123.8739	0.362	112	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	122.7845	0.400	2	123.8452	0.307	65	123.8739	0.362	112	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<2>}	124.7950	0.000	1	123.8452	0.307	65	123.8739	0.362	112	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>,2|N<2>}	124.4400	0.000	1	123.8452	0.307	65	123.8739	0.362	112	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|Br<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,4|C<3>}	124.0630	0.000	1	123.8452	0.307	65	123.8739	0.362	112	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	123.4280	0.252	2	123.8452	0.307	65	123.8739	0.362	112	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	123.9680	0.000	1	123.8452	0.307	65	123.8739	0.362	112	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	123.4020	0.000	1	123.8452	0.307	65	123.8739	0.362	112	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|F<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|F<1>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	124.3860	0.208	2	123.8452	0.307	65	123.8739	0.362	112	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	124.3105	0.081	2	123.8452	0.307	65	123.8739	0.362	112	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	124.3385	0.336	4	123.8452	0.307	65	123.8739	0.362	112	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	123.7670	0.000	1	123.8452	0.307	65	123.8739	0.362	112	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	123.8650	0.000	1	123.8452	0.307	65	123.8739	0.362	112	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	123.7280	0.221	2	123.8452	0.307	65	123.8739	0.362	112	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	124.2570	0.000	1	123.8452	0.307	65	123.8739	0.362	112	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	123.7742	0.639	4	123.8452	0.307	65	123.8739	0.362	112	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	123.8149	0.526	36	123.8452	0.307	65	123.8739	0.362	112	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|P<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>}	123.8910	0.025	2	123.8452	0.307	65	123.8739	0.362	112	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	122.5390	0.000	1	123.8452	0.307	65	123.8739	0.362	112	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	122.8520	0.000	1	123.3695	0.156	14	123.8739	0.362	112	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	123.4093	0.381	13	123.3695	0.156	14	123.8739	0.362	112	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	123.5960	0.000	1	123.9813	0.077	4	123.8739	0.362	112	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){2|H<1>,4|C<3>}	124.0360	0.045	2	123.9813	0.077	4	123.8739	0.362	112	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	124.2570	0.000	1	123.9813	0.077	4	123.8739	0.362	112	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]N)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	123.4045	0.390	2	123.4045	0.152	2	123.8739	0.362	112	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C[5])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C[5]){1|H<1>,2|O<2>,6|C<3>}	123.5920	0.000	1	123.5920	0.000	1	123.8739	0.362	112	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	124.8650	0.000	1	124.8650	0.000	1	123.8739	0.362	112	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>}	126.0310	0.000	1	126.0310	0.000	1	123.8739	0.362	112	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]O[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]O[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]O[6a]C)(H){3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]O[6a]O){2|H<1>,3|C<3>}	123.9160	0.326	5	123.9160	0.106	5	123.8739	0.362	112	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]O[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]O[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]O[6a]H)(H){3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]O[6a]O){2|H<1>,3|C<3>}	122.9780	0.000	1	122.9780	0.000	1	123.8739	0.362	112	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(H){4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a]){1|C<4>,2|H<1>,5|C<3>}	125.9415	0.204	2	125.9415	0.042	2	125.5820	0.173	17	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(H){4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a]){1|H<1>,7|C<3>}	125.6983	0.290	7	125.6983	0.084	7	125.5820	0.173	17	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(H){4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a]){1|C<2>,1|H<1>,6|C<3>}	124.7795	0.095	2	125.3904	0.225	8	125.5820	0.173	17	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(H){4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a]){2|H<1>,6|C<3>}	125.5940	0.337	6	125.3904	0.225	8	125.5820	0.173	17	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(O[5a]B[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(O[5a]B[5a,6])(C[6a]C[6a]H){1|Cl<1>,1|F<1>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]Cl)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]C[6])(C[6a]C[6a]H){1|F<1>,1|O<2>,2|C<3>,3|H<1>}	120.8285	0.037	2	120.8285	0.001	2	120.6514	0.427	7	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(O[5a]B[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(O[5a]B[5a,6])(C[6a]C[6a]H){1|F<1>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|C<4>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]C[6])(C[6a]C[6a]H){1|F<1>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	120.5680	0.000	1	120.7108	0.711	4	120.6514	0.427	7	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(O[5a]B[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(O[5a]B[5a,6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	121.3500	0.065	2	120.7108	0.711	4	120.6514	0.427	7	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(O[5a]B[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(O[5a]B[5a,6])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	119.5750	0.000	1	120.7108	0.711	4	120.6514	0.427	7	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(O[5a]B[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(O[5a]B[5a,6])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]N)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	120.0600	0.000	1	120.0600	0.000	1	120.6514	0.427	7	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a,6])(O[5a]C[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a,6])(O[5a]C[5a,6])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(H){4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a]){1|O<1>,2|H<1>,5|C<3>}	125.1920	0.000	1	125.1920	0.000	1	125.1920	0.000	1	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a,6]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6])(O[5a]B[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]N[6])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6])(O[5a]B[5a,6])(C[6a]C[6a]H){1|F<1>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(H){1|B<4>,1|N<3>,2|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]N[6]){1|F<1>,1|N<3>,2|H<1>,4|C<3>}	121.3930	0.000	1	121.3930	0.000	1	121.3930	0.000	1	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(O[5a]B[5a,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]B[5a,5a]C[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(O[5a]B[5a,5a])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>}	C[5a,6a](N[5a,5a]B[5a,5a]C[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	120.9160	0.000	1	120.9160	0.000	1	122.4505	1.181	4	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(O[5a]C[5a,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(O[5a]C[5a,5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	123.2010	0.247	2	123.2010	0.061	2	122.4505	1.181	4	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(O[5a]C[5a,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(O[5a]C[5a,5a])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	122.4840	0.000	1	122.4840	0.000	1	122.4505	1.181	4	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	123.4980	0.000	1	123.4980	0.000	1	123.3963	0.314	3	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	122.7920	0.000	1	123.3455	0.613	2	123.3963	0.314	3	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	123.8990	0.000	1	123.3455	0.613	2	123.3963	0.314	3	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]Br)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(Br)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]Br){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(Br){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|Br<1>,2|H<1>,3|C<3>}	120.6100	0.315	2	120.6100	0.099	2	120.6100	0.099	2	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)(F)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]F)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]F){1|C<2>,1|F<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)(F){1|F<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]F){1|C<4>,2|F<1>,3|C<3>}	121.8920	0.000	1	121.8920	0.000	1	121.3805	1.388	8	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]F)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]F){2|F<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]F)(F){1|F<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]F){1|C<4>,2|F<1>,3|C<3>}	122.9300	0.300	2	121.5967	1.181	6	121.3805	1.388	8	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]F)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]F){2|F<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]F)(F){1|F<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]F){3|C<3>,3|F<1>}	121.2730	0.091	2	121.5967	1.181	6	121.3805	1.388	8	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]F)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]F){2|F<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]F)(F){1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]F){1|F<1>,1|H<1>,1|S<2>,3|C<3>}	120.5870	0.031	2	121.5967	1.181	6	121.3805	1.388	8	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]F)(F)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]N[6a]F)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]F){1|N<2>,2|C<3>,2|F<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]F)(F){3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]N[6a]F){1|F<1>,1|H<1>,3|C<3>}	119.5720	0.000	1	119.5720	0.000	1	121.3805	1.388	8	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5,5a]C[5,5a]P[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H){1|H<1>,1|P<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]P[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	121.8810	0.308	2	121.8810	0.095	2	121.3572	0.697	43	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]B[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H){1|B<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]B[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	122.1653	0.553	3	121.9495	0.390	4	121.3572	0.697	43	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]B[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]B[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	121.3020	0.000	1	121.9495	0.390	4	121.3572	0.697	43	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	120.7363	0.294	3	120.7363	0.087	3	121.3572	0.697	43	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	121.4514	0.200	5	121.4514	0.040	5	121.3572	0.697	43	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	121.9970	0.000	1	121.6382	0.739	6	121.3572	0.697	43	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	119.9830	0.000	1	121.6382	0.739	6	121.3572	0.697	43	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	121.9622	0.369	4	121.6382	0.739	6	121.3572	0.697	43	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]N[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]N[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	120.6630	0.000	1	120.6630	0.000	1	121.3572	0.697	43	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]O[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]O[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	119.7130	0.000	1	119.7130	0.000	1	121.3572	0.697	43	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]P[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]P[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	121.5116	0.318	7	121.4082	0.441	13	121.3572	0.697	43	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]P[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]P[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	121.2875	0.951	6	121.4082	0.441	13	121.3572	0.697	43	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]S[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|S<2>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]S[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	120.7540	0.000	1	120.9527	0.234	3	121.3572	0.697	43	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]S[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]S[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	121.0520	0.639	2	120.9527	0.234	3	121.3572	0.697	43	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H){1|Si<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	121.1930	1.639	5	121.1930	2.688	5	121.3572	0.697	43	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,5a]C[5a,5a]O[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]2)(H){1|H<1>,5|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]O[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.4870	0.000	1	122.4870	0.000	1	121.4482	0.370	108	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]2)(H){1|H<1>,5|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.8905	0.556	10	121.8905	0.309	10	121.4482	0.370	108	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|S<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]Br)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.4850	0.000	2	122.4850	0.000	2	121.4482	0.370	108	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.5924	0.668	22	121.5872	0.410	24	121.4482	0.370	108	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.5300	0.228	2	121.5872	0.410	24	121.4482	0.370	108	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	121.3732	0.145	4	121.4904	0.084	5	121.4482	0.370	108	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,3|H<1>}	121.9590	0.000	1	121.4904	0.084	5	121.4482	0.370	108	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	121.8190	0.255	2	121.4000	0.167	13	121.4482	0.370	108	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	121.7330	0.272	3	121.4000	0.167	13	121.4482	0.370	108	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	121.2650	0.424	4	121.4000	0.167	13	121.4482	0.370	108	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	121.0757	0.156	4	121.4000	0.167	13	121.4482	0.370	108	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]O[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]O[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.8132	0.372	4	120.8132	0.139	4	121.4482	0.370	108	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.2053	0.521	32	121.1505	0.281	35	121.4482	0.370	108	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|O<2>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	120.5663	0.140	3	121.1505	0.281	35	121.4482	0.370	108	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.0661	0.283	7	121.7934	0.317	10	121.4482	0.370	108	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H){1|O<2>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	121.1570	0.563	3	121.7934	0.317	10	121.4482	0.370	108	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]S)(H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|H<1>,1|S<2>,1|S<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]S)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.7080	0.000	1	121.7080	0.000	1	121.4482	0.370	108	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]Si)(H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|Si<4>,1|H<1>,1|S<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]Si)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.0453	0.175	3	121.0453	0.031	3	121.4482	0.370	108	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]B[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,2|B<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]B[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|B<3>,2|H<1>,3|C<3>}	122.1720	0.471	2	122.1720	0.222	2	121.3226	0.575	31	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	120.3170	0.000	1	120.3170	0.000	1	121.3226	0.575	31	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	122.2910	0.103	2	121.7727	0.284	6	121.3226	0.575	31	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	120.8530	0.000	1	121.7727	0.284	6	121.3226	0.575	31	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	121.6750	0.038	2	121.7727	0.284	6	121.3226	0.575	31	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	121.8510	0.000	1	121.7727	0.284	6	121.3226	0.575	31	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	121.5993	0.439	3	121.5993	0.193	3	121.3226	0.575	31	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|Cl<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	120.8770	0.000	1	120.6814	0.185	11	121.3226	0.575	31	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|F<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	120.8710	0.000	1	120.6814	0.185	11	121.3226	0.575	31	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	120.9260	0.249	5	120.6814	0.185	11	121.3226	0.575	31	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	120.1970	0.499	3	120.6814	0.185	11	121.3226	0.575	31	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.5260	0.000	1	120.6814	0.185	11	121.3226	0.575	31	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]S[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]S[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	121.3890	0.000	1	121.6345	1.258	4	121.3226	0.575	31	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]S[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]S[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	122.1245	1.641	2	121.6345	1.258	4	121.3226	0.575	31	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]S[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]S[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.9000	0.000	1	121.6345	1.258	4	121.3226	0.575	31	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]Si[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H){2|Si<4>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]Si[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|Si<4>,2|C<3>,2|C<4>,2|H<1>}	121.8335	0.293	2	121.8335	0.086	2	121.3226	0.575	31	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6]C[5a,6]S[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]S[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	121.6035	0.112	2	121.6035	0.013	2	121.3226	0.575	31	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5a,6a]H)(H){1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a]){1|H<1>,2|S<2>,4|C<3>}	122.8205	0.482	4	122.8205	0.232	4	122.8205	0.232	4	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,5a]C[5a,5a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,5a]C[5a,5a]2)(C[6a]C[6a]H){1|N<3>,1|S<2>,2|C<3>,2|H<1>}	121.5295	0.165	2	121.5920	0.106	6	121.5920	0.106	6	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,5a]C[5a,5a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,5a]C[5a,5a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	121.2775	0.081	2	121.5920	0.106	6	121.5920	0.106	6	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,5a]C[5a,5a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,5a]C[5a,5a]2)(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	121.9690	0.076	2	121.5920	0.106	6	121.5920	0.106	6	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a,5a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[6a]S[5a])(C[5a,5a]C[5a,5a]2)	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5a,6a]H)(H){1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[6a]S[5a])(C[5a,5a]C[5a,5a]2){1|H<1>,2|S<2>,5|C<3>}	123.1875	0.194	2	123.1875	0.038	2	123.1875	0.038	2	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a,6])(S[5a]C[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a]S[5a])(C[5a,6]C[5a,6]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a,6])(S[5a]C[5a,6])(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5a,6a]H)(H){1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a]S[5a])(C[5a,6]C[5a,6]2){1|C<2>,1|S<2>,2|H<1>,4|C<3>}	123.1490	0.000	1	123.1490	0.000	1	123.1490	0.000	1	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]2)(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])	C[5a,6a](C[5a,6a]C[5a,6a]2)(S[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5a,6a]H)(H){1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a]){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	123.6393	0.176	3	123.6393	0.031	3	123.0227	0.750	32	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]2)(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]2)(S[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5a,6a]H)(H){1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2){1|S<2>,2|H<1>,5|C<3>}	122.4813	0.663	7	122.4813	0.439	7	123.0227	0.750	32	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]2)(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]2)(S[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5a,6a]H)(H){1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2){1|H<1>,1|S<2>,6|C<3>}	122.8713	0.504	4	122.8713	0.254	4	123.0227	0.750	32	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]2)(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]2)(S[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5a,6a]H)(H){1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2){1|S<2>,2|H<1>,5|C<3>}	122.9230	0.000	1	122.9230	0.000	1	123.0227	0.750	32	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]2)(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)2	C[5a,6a](C[5a,6a]C[5a,6a]2)(S[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5a,6a]H)(H){1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)2{1|H<1>,1|S<2>,6|C<3>}	122.7628	0.736	13	122.7628	0.541	13	123.0227	0.750	32	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]2)(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5a,6a]Si)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)2	C[5a,6a](C[5a,6a]C[5a,6a]2)(S[5a]C[5a,6a])(C[6a]C[6a]H){1|Si<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5a,6a]Si)(H){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)2{1|H<1>,1|N<3>,6|C<3>}	124.5290	0.144	4	124.5290	0.021	4	123.0227	0.750	32	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a,6a]C[6a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]H)(H){4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a,6a]C[6a,6a]2){2|H<1>,6|C<3>}	123.0630	0.000	1	123.0630	0.000	1	123.0630	0.000	1	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	122.5950	0.881	2	122.5950	0.776	2	121.8488	0.799	134	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)(H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	122.2300	0.000	1	122.2300	0.000	1	121.8488	0.799	134	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]B[6a,6a]C[5a,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|B<3>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]B[6a,6a]C[5a,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	123.9060	0.202	2	123.9060	0.041	2	121.8488	0.799	134	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	123.7707	0.396	3	123.7707	0.156	3	121.8488	0.799	134	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|Br<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,4|C<3>}	122.7910	0.000	1	122.5111	0.104	7	121.8488	0.799	134	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	122.2405	0.100	2	122.5111	0.104	7	121.8488	0.799	134	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	122.5765	0.353	4	122.5111	0.104	7	121.8488	0.799	134	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	122.8178	0.425	4	122.9280	0.196	5	121.8488	0.799	134	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]2){3|H<1>,5|C<3>}	123.3690	0.000	1	122.9280	0.196	5	121.8488	0.799	134	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]B[5])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|B<3>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]B[5]){2|O<2>,3|C<3>,3|H<1>}	123.4620	0.000	1	123.4620	0.000	1	121.8488	0.799	134	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C){3|C<3>,3|H<1>}	122.5350	0.000	1	122.8832	0.059	6	121.8488	0.799	134	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C){3|C<3>,3|H<1>}	122.9528	0.195	5	122.8832	0.059	6	121.8488	0.799	134	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|B<3>,2|H<1>,3|C<3>}	122.1410	0.000	1	121.6734	0.315	74	121.8488	0.799	134	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<2>,2|H<1>,3|C<3>}	121.8720	0.000	1	121.6734	0.315	74	121.8488	0.799	134	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	122.5350	0.000	1	121.6734	0.315	74	121.8488	0.799	134	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|F<1>,1|N<2>,2|C<3>,2|H<1>}	121.6880	0.000	1	121.6734	0.315	74	121.8488	0.799	134	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|F<1>,2|H<1>,3|C<3>}	121.6153	0.201	3	121.6734	0.315	74	121.8488	0.799	134	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	122.4642	0.335	6	121.6734	0.315	74	121.8488	0.799	134	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	121.6687	0.466	51	121.6734	0.315	74	121.8488	0.799	134	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	120.5200	0.000	1	121.6734	0.315	74	121.8488	0.799	134	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	120.6580	0.000	1	121.6734	0.315	74	121.8488	0.799	134	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	121.2106	0.619	8	121.6734	0.315	74	121.8488	0.799	134	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	120.5020	0.000	1	120.7413	0.200	9	121.8488	0.799	134	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.7712	0.468	8	120.7413	0.200	9	121.8488	0.799	134	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]S[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]S[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.1960	0.000	1	121.1960	0.000	1	121.8488	0.799	134	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	121.1700	0.000	1	121.5455	1.140	22	121.8488	0.799	134	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	122.1350	0.296	2	121.5455	1.140	22	121.8488	0.799	134	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	122.0140	0.000	1	121.5455	1.140	22	121.8488	0.799	134	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){2|H<1>,4|C<3>}	121.4748	1.156	18	121.5455	1.140	22	121.8488	0.799	134	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	122.5150	0.000	1	122.5150	0.000	1	121.8488	0.799	134	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]H)(H){4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a]){1|H<1>,7|C<3>}	123.2775	0.179	2	123.2775	0.032	2	123.1732	0.053	5	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]H)(H){4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a]){2|H<1>,6|C<3>}	123.1037	0.269	3	123.1037	0.073	3	123.1732	0.053	5	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,1|S<2>,2|H<1>,2|N<2>}	120.5840	0.000	1	120.5840	0.000	1	120.5840	0.000	1	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H){1|B<3>,1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H){1|C<3>,1|S<2>,2|H<1>,2|N<3>}	121.5550	0.849	2	121.5550	0.720	2	121.5550	0.720	2	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5,5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5,5a])(S[5a]C[5,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[5,5a]C[5,5a]2)	C[5a,6a](C[5a,6a]C[6a,6a]C[5,5a])(S[5a]C[5,5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]H)(H){4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[5,5a]C[5,5a]2){1|C<4>,2|H<1>,5|C<3>}	122.6770	0.000	1	122.8680	0.037	3	122.8680	0.037	3	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5,5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5,5a])(S[5a]C[5,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[5,5a]C[5,5a]2)	C[5a,6a](C[5a,6a]C[6a,6a]C[5,5a])(S[5a]C[5,5a])(C[6a]C[6a]H){1|H<1>,1|P<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]H)(H){4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[5,5a]C[5,5a]2){1|P<4>,2|H<1>,5|C<3>}	122.9635	0.139	2	122.8680	0.037	3	122.8680	0.037	3	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a,5a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a,6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[5a,5a]C[5a,5a]2)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a,6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]H)(H){4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[5a,5a]C[5a,5a]2){1|N<3>,2|H<1>,5|C<3>}	122.5135	0.874	4	122.5135	0.763	4	122.5135	0.763	4	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]H)(H){4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2){2|H<1>,6|C<3>}	122.4120	1.392	4	122.4120	1.937	4	122.4120	1.937	4	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)(H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<2>}	120.0330	0.242	2	120.0330	0.058	2	120.6737	0.495	20	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<2>}	120.6300	0.000	1	120.6300	0.000	1	120.6737	0.495	20	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]F)(H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	120.1495	0.220	2	120.1495	0.048	2	120.6737	0.495	20	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	120.3770	0.041	2	120.7390	0.264	11	120.6737	0.495	20	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	120.6380	0.052	2	120.7390	0.264	11	120.6737	0.495	20	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	120.3150	0.000	1	120.7390	0.264	11	120.6737	0.495	20	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	121.7100	0.000	1	120.7390	0.264	11	120.6737	0.495	20	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<2>}	120.2390	0.037	2	120.7390	0.264	11	120.6737	0.495	20	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	121.1987	0.220	3	120.7390	0.264	11	120.6737	0.495	20	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.9190	0.000	1	119.9190	0.000	1	120.6737	0.495	20	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]N)(H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	120.2220	0.000	1	120.2220	0.000	1	120.6737	0.495	20	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|Br<1>,1|N<2>,2|C<3>,2|H<1>}	121.6820	0.000	1	122.1050	0.358	2	120.6737	0.495	20	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	122.5280	0.000	1	122.1050	0.358	2	120.6737	0.495	20	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	121.5750	0.000	1	121.9360	0.261	2	121.6613	0.357	3	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	122.2970	0.000	1	121.9360	0.261	2	121.6613	0.357	3	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<1>,1|O<2>,2|C<3>}	121.1120	0.000	1	121.1120	0.000	1	121.6613	0.357	3	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:N[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]N[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]C)(H){1|O<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	120.0620	0.000	1	120.0620	0.000	1	120.0620	0.000	1	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(S[5a]C[5a,6a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a,6a]C)(O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a,6a]C[6a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(S[5a]C[5a,6a])(C[6a]N[6a]O){1|C<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a,6a]C)(O){4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	125.4180	0.000	1	125.4180	0.000	1	125.4180	0.000	1	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(S[5a]C[5a,6a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a,6a]C)(O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(S[5a]C[5a,6a])(C[6a]N[6a]O){1|C<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a,6a]C)(O){4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a]){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	125.2010	0.440	2	125.2010	0.193	2	125.2010	0.193	2	121.9321	2.935	820	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:2:	3:3:2:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-2:	N[5a,5a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a,5a]N[6a])(N[5a]N[5a,5a])(C[6a]C[6a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NN)	C[5a,6a](N[5a,5a]C[5a,6a]N[5a,5a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a,5a]N[6a])(N[5a]N[5a,5a])(C[6a]C[6a]N){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NN){2|N<2>,2|N<3>}	C[5a,6a](N[5a,5a]C[5a,6a]N[5a,5a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a]){3|C<3>,3|N<2>}	117.0750	0.000	1	117.0750	0.000	1	117.0750	0.000	1	117.0750	0.000	1	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC){1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	119.2075	0.670	2	119.2075	0.448	2	119.2075	0.448	2	120.8842	4.304	18	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-2:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CN)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C){1|C<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CN){1|N<3>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){1|C<2>,1|H<1>,6|C<3>}	119.1655	0.385	6	119.1655	0.148	6	119.1655	0.148	6	120.8842	4.304	18	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C[6])(OC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C[6])(OC){1|Cl<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]O){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	118.9290	0.000	1	118.9290	0.000	1	118.9290	0.000	1	120.8842	4.304	18	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:2:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]O){1|C<3>,1|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	124.7170	0.000	1	124.7170	0.000	1	123.7390	1.913	2	120.8842	4.304	18	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:2:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(OH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(OH){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	122.7610	0.000	1	122.7610	0.000	1	123.7390	1.913	2	120.8842	4.304	18	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:2:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(OC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]O){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(OC){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|O<2>}	123.5225	0.438	2	123.5225	0.192	2	123.6767	0.167	3	120.8842	4.304	18	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:2:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(OC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]O){2|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(OC){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]O){1|H<1>,2|O<2>,3|C<3>}	123.9850	0.000	1	123.9850	0.000	1	123.6767	0.167	3	120.8842	4.304	18	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:2:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(OC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]O){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(OC){4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a]){1|O<2>,2|H<1>,5|C<3>}	122.5740	0.000	1	122.5740	0.000	1	122.5740	0.000	1	120.8842	4.304	18	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:2:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(CN)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(CN){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<2>,2|H<1>,3|C<3>}	120.8180	0.000	1	120.8180	0.000	1	120.8180	0.000	1	120.8842	4.304	18	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:2:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(OH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(OH){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	120.8390	0.013	2	120.8390	0.000	2	120.8390	0.000	2	120.8842	4.304	18	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:3:	3:2:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]2){2|H<1>,2|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|B<4>,1|O<2>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|O<2>}	122.2427	0.247	6	122.2427	0.061	6	122.2427	0.061	6	122.2427	0.061	6	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]N[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]N[6a]C){1|N<2>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]H){1|H<1>,1|N<2>,4|C<3>}	121.3760	0.000	1	121.3760	0.000	1	121.3760	0.000	1	123.1761	4.118	65	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	119.8030	0.382	2	120.3425	0.534	4	120.3425	0.534	4	123.1761	4.118	65	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	120.8820	0.542	2	120.3425	0.534	4	120.3425	0.534	4	123.1761	4.118	65	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	119.3660	0.000	1	119.3660	0.000	1	119.3660	0.000	1	123.1761	4.118	65	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]N[5a,5a])(C[6a]C[6a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO)	C[5a,6a](N[5a,5a]C[5a,6a]N[5a,5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]N[5a,5a])(C[6a]C[6a]N){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO){1|C<3>,3|N<3>}	C[5a,6a](N[5a,5a]C[5a,6a]N[5a,5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|N<2>,2|N<3>}	115.9370	0.000	1	115.9370	0.000	1	115.9370	0.000	1	123.1761	4.118	65	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:3:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]O[5a])(CC[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(CC[5a]C[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	122.9690	0.000	1	122.9690	0.000	1	122.9690	0.000	1	123.1761	4.118	65	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:3:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:B-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]B)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(BC[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]B){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(BC[6a]2){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|B<3>,2|H<1>,3|C<3>}	124.4080	0.000	1	124.4080	0.000	1	124.4080	0.000	1	123.1761	4.118	65	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:3:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CC[5a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CC[5a]2){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	123.8007	0.761	3	123.8007	0.578	3	123.5471	0.866	8	123.1761	4.118	65	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:3:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CC[6a]C[5])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CC[6a]C[5]){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	122.4220	0.000	1	122.4220	0.000	1	123.5471	0.866	8	123.1761	4.118	65	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:3:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CHN)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CHN){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	125.1350	0.000	1	125.1350	0.000	1	123.5471	0.866	8	123.1761	4.118	65	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:3:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CHP)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CHP){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	123.6230	0.000	1	123.6230	0.000	1	123.5471	0.866	8	123.1761	4.118	65	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:3:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(COO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(COO){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	122.8975	0.271	2	122.8975	0.073	2	123.5471	0.866	8	123.1761	4.118	65	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:3:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|Br<1>,1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C){1|H<1>,5|C<3>}	123.3900	0.000	1	124.2280	1.404	2	123.9495	0.814	20	123.1761	4.118	65	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:3:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C){1|H<1>,5|C<3>}	125.0660	0.000	1	124.2280	1.404	2	123.9495	0.814	20	123.1761	4.118	65	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:3:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	123.5230	0.000	1	123.9186	0.817	18	123.9495	0.814	20	123.1761	4.118	65	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:3:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	123.9418	0.926	17	123.9186	0.817	18	123.9495	0.814	20	123.1761	4.118	65	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:3:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]N)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]2)(NCH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]N){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]2)(NCH){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	124.2500	0.000	1	124.2500	0.000	1	123.1537	5.895	17	123.1761	4.118	65	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:3:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]N)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(NAlC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(NAlC){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	123.8510	0.329	4	123.8510	0.108	4	123.1537	5.895	17	123.1761	4.118	65	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:3:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]N)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(NCC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(NCC){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	123.9725	0.223	2	123.9725	0.050	2	123.1537	5.895	17	123.1761	4.118	65	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:3:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]N)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(NOO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(NOO){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	119.4700	0.000	1	120.2352	0.421	6	123.1537	5.895	17	123.1761	4.118	65	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:3:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]N)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(NOO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(NOO){1|Cl<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<3>,3|C<3>}	120.3580	0.000	1	120.2352	0.421	6	123.1537	5.895	17	123.1761	4.118	65	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:3:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]N)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(NOO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(NOO){1|F<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|F<1>,1|H<1>,1|N<3>,3|C<3>}	120.9795	0.121	2	120.2352	0.421	6	123.1537	5.895	17	123.1761	4.118	65	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:3:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]N)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(NOO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(NOO){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	119.8120	0.148	2	120.2352	0.421	6	123.1537	5.895	17	123.1761	4.118	65	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:3:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]N)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(NZnC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(NZnC){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	126.1508	0.326	4	126.1508	0.106	4	123.1537	5.895	17	123.1761	4.118	65	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:3:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:P-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]P)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(PCC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]P){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(PCC){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|P<3>,2|H<1>,3|C<3>}	124.3885	0.097	2	124.3885	0.009	2	124.7521	0.114	7	123.1761	4.118	65	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:3:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:P-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]P)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(PC[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]P){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(PC[6a]2){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|P<3>,2|H<1>,3|C<3>}	124.8976	0.276	5	124.8976	0.076	5	124.7521	0.114	7	123.1761	4.118	65	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(CCO)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]C){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(CCO){1|H<1>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	121.3640	0.000	1	121.3640	0.000	1	121.3640	0.000	1	123.1761	4.118	65	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]2)(CC[5]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]C){5|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]2)(CC[5]H){6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]2){1|H<1>,7|C<3>}	122.7060	0.000	1	122.7060	0.000	1	122.7060	0.000	1	123.1761	4.118	65	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	121.3540	0.977	2	121.3540	0.955	2	121.3540	0.955	2	123.1761	4.118	65	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:4:	3:2:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CC3)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]C){1|C<3>,1|O<2>,1|O<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CC3){1|B<4>,1|C<3>,1|C<4>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]H){1|C<3>,1|O<2>,1|O<3>,2|C<4>}	121.7930	0.000	1	121.7930	0.000	1	122.1596	0.266	5	122.1596	0.266	5	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:4:	3:2:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CHHP)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,5a])(C[6a]C[6a]C){1|C<3>,2|H<1>,2|O<2>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CHHP){1|B<4>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	122.2512	0.547	4	122.2512	0.299	4	122.1596	0.266	5	122.1596	0.266	5	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:4:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]2)(O[5a]C[5a,6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[5a,6a]H)(CC3)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a,6a]C[5a,6a]2)2	C[5a,6a](C[5a,6a]C[5a,6a]2)(O[5a]C[5a,6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[5a,6a]H)(CC3){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a,6a]C[5a,6a]2)2{1|C<4>,1|N<3>,6|C<3>}	124.4480	0.226	2	124.4237	0.025	4	124.4237	0.025	4	124.1434	2.035	96	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:4:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]2)(O[5a]C[5a,6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[5a,6a]H)(CC3)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a,6a]C[5a,6a]2)2	C[5a,6a](C[5a,6a]C[5a,6a]2)(O[5a]C[5a,6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[5a,6a]H)(CC3){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a,6a]C[5a,6a]2)2{1|C<4>,1|O<2>,6|C<3>}	124.3995	0.151	2	124.4237	0.025	4	124.4237	0.025	4	124.1434	2.035	96	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:4:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(O[5a]C[5a,6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6,6a]H)(CC3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6,6a]C[6,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(O[5a]C[5a,6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6,6a]H)(CC3){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6,6a]C[6,6a]2){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	124.2355	0.262	2	124.2355	0.069	2	124.2355	0.069	2	124.1434	2.035	96	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:4:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CAlNN)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CAlNN){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	123.8415	0.340	2	123.8415	0.116	2	124.5807	0.807	20	124.1434	2.035	96	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:4:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CC3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CC3){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	124.5680	0.034	2	124.5680	0.001	2	124.5807	0.807	20	124.1434	2.035	96	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:4:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CCHN)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CCHN){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	125.0560	0.236	2	125.0560	0.056	2	124.5807	0.807	20	124.1434	2.035	96	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:4:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	126.2750	0.000	1	126.2750	0.000	1	124.5807	0.807	20	124.1434	2.035	96	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:4:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CHHN)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CHHN){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	124.5222	0.366	6	124.5222	0.134	6	124.5807	0.807	20	124.1434	2.035	96	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:4:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CHHS)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CHHS){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	123.9955	2.971	2	123.9955	8.824	2	124.5807	0.807	20	124.1434	2.035	96	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:4:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CN[5a]2H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CN[5a]2H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	124.3645	0.353	2	124.3645	0.125	2	124.5807	0.807	20	124.1434	2.035	96	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:4:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CTiNN)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CTiNN){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	124.7205	0.090	2	124.7205	0.008	2	124.5807	0.807	20	124.1434	2.035	96	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:4:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]O)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]O)(CH3){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]N[6a]H){1|H<1>,2|C<4>,3|C<3>}	125.1150	0.000	1	125.1150	0.000	1	124.5807	0.807	20	124.1434	2.035	96	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:4:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]N)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(NCuCC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(NCuCC){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|N<4>,2|H<1>,3|C<3>}	123.5657	0.773	8	123.5657	0.598	8	124.5067	2.324	12	124.1434	2.035	96	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:4:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]N)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(NZnCH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(NZnCH){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|N<4>,2|H<1>,3|C<3>}	126.3885	0.207	4	126.3885	0.043	4	124.5067	2.324	12	124.1434	2.035	96	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:4:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:P-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]P)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(PC[6a]2Cu)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]P){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(PC[6a]2Cu){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>}	123.7895	0.735	4	123.7895	0.540	4	124.1729	0.611	37	124.1434	2.035	96	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:4:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:P-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]P)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(PC[6a]2N)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]P){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(PC[6a]2N){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>}	124.4293	1.041	12	124.4293	1.084	12	124.1729	0.611	37	124.1434	2.035	96	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:4:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:P-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]P)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(PC[6a]BC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]P){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(PC[6a]BC){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>}	124.5568	0.449	5	124.5568	0.202	5	124.1729	0.611	37	124.1434	2.035	96	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:4:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:P-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]P)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(PC[6a]BO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]P){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(PC[6a]BO){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>}	123.7807	0.514	7	123.7807	0.264	7	124.1729	0.611	37	124.1434	2.035	96	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:4:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:P-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]P)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(PC[6a]CN)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]P){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(PC[6a]CN){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>}	124.0408	0.611	8	124.0408	0.373	8	124.1729	0.611	37	124.1434	2.035	96	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:4:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:P-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]P)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(PC[6a]RuC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]P){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(PC[6a]RuC){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>}	124.5140	0.000	1	124.5140	0.000	1	124.1729	0.611	37	124.1434	2.035	96	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:4:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]2)(S[5a]C[5a,6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5a,6a]C)(CCHH)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)2	C[5a,6a](C[5a,6a]C[5a,6a]2)(S[5a]C[5a,6a])(C[6a]C[6a]C){1|C<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5a,6a]C)(CCHH){1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)2{1|C<4>,1|S<2>,6|C<3>}	126.5313	2.111	6	126.5313	4.457	6	126.5313	4.457	6	124.1434	2.035	96	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:4:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(CCHH){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	122.0930	0.062	2	122.0930	0.004	2	122.1817	0.088	9	124.1434	2.035	96	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:4:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(CH3){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	122.2276	0.402	5	122.2276	0.161	5	122.1817	0.088	9	124.1434	2.035	96	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:4:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(CHHP)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(CHHP){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	122.1555	0.163	2	122.1555	0.027	2	122.1817	0.088	9	124.1434	2.035	96	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:4:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:P-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]P)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(PC[6a]2O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]P){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(PC[6a]2O){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>}	121.2233	0.456	3	121.2233	0.208	3	121.3305	0.184	4	124.1434	2.035	96	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:4:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:P-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]P)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(PC[6a]RuC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]P){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(PC[6a]RuC){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>}	121.6520	0.000	1	121.6520	0.000	1	121.3305	0.184	4	124.1434	2.035	96	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:4:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:Si-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]Si)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(SiC3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]Si){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(SiC3){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|Si<4>,2|H<1>,3|C<3>}	123.6790	0.199	2	123.6790	0.040	2	123.6790	0.040	2	124.1434	2.035	96	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:4:3:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:P-4:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]P)	C[6a](C[5a,6a]C[5a,6a]O[5a])(PC[6a]C[5]B)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]P){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(PC[6a]C[5]B)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>}	124.0730	0.000	1	124.0730	0.000	1	124.0730	0.000	1	122.9380	2.576	2	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:4:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:P-4:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]P)	C[6a](C[5a,6a]C[5a,6a]S[5a])(PC[6a]C[5]B)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]P){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(PC[6a]C[5]B)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>}	121.8030	0.000	1	121.8030	0.000	1	121.8030	0.000	1	122.9380	2.576	2	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]Cl)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]Cl)(N[5a]N[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>}	118.3520	0.000	1	118.3520	0.000	1	117.8890	0.429	2	115.3923	3.215	56	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]Cl)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]Cl)(N[5a]S[5a]){1|Br<1>,1|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]S[5a]){1|Cl<1>,1|H<1>,1|N<2>}	117.4260	0.000	1	117.4260	0.000	1	117.8890	0.429	2	115.3923	3.215	56	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|Cl<1>,1|N<2>,2|H<1>}	114.8648	0.401	11	114.6669	0.262	19	114.7692	0.260	43	115.3923	3.215	56	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|C<3>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>}	113.8560	0.413	3	114.6669	0.262	19	114.7692	0.260	43	115.3923	3.215	56	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){2|Cl<1>,1|H<1>,1|N<2>}	114.7570	0.409	3	114.6669	0.262	19	114.7692	0.260	43	115.3923	3.215	56	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|C<3>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>}	114.6595	0.023	2	114.6669	0.262	19	114.7692	0.260	43	115.3923	3.215	56	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|N<2>,2|C<4>,2|H<1>}	114.4880	0.000	1	114.7138	0.157	13	114.7692	0.260	43	115.3923	3.215	56	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|Cl<1>,1|N<2>,2|C<4>,3|H<1>}	114.8956	0.306	7	114.7138	0.157	13	114.7692	0.260	43	115.3923	3.215	56	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|Cl<1>,1|Se<2>,1|C<4>,1|N<2>,3|H<1>}	114.8360	0.000	1	114.7138	0.157	13	114.7692	0.260	43	115.3923	3.215	56	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|C<3>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|Cl<1>,1|Se<2>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	114.2430	0.000	1	114.7138	0.157	13	114.7692	0.260	43	115.3923	3.215	56	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){2|Cl<1>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	114.4420	0.795	2	114.7138	0.157	13	114.7692	0.260	43	115.3923	3.215	56	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){2|Cl<1>,1|N<2>,2|C<4>,2|H<1>}	114.5590	0.000	1	114.7138	0.157	13	114.7692	0.260	43	115.3923	3.215	56	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(N[6a]C[6a]){2|Cl<1>,1|C<3>,1|C<4>,1|N<2>,2|H<1>}	114.6500	0.305	2	114.6500	0.093	2	114.7692	0.260	43	115.3923	3.215	56	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|C<3>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	113.9570	0.000	1	114.5365	0.672	2	114.7692	0.260	43	115.3923	3.215	56	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a]){2|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	115.1160	0.000	1	114.5365	0.672	2	114.7692	0.260	43	115.3923	3.215	56	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Co)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|Co<6>,1|C<3>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Co)(N[6a]C[6a]){1|Cl<1>,1|N<2>,2|H<1>}	115.5310	0.000	1	115.5310	0.000	1	114.7692	0.260	43	115.3923	3.215	56	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|C<3>,1|I<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|I<1>,1|N<2>}	116.0180	0.000	1	115.3483	0.401	4	114.7692	0.260	43	115.3923	3.215	56	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|C<3>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>}	114.5160	0.000	1	115.3483	0.401	4	114.7692	0.260	43	115.3923	3.215	56	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a]){2|Cl<1>,1|H<1>,1|N<2>}	115.4295	0.217	2	115.3483	0.401	4	114.7692	0.260	43	115.3923	3.215	56	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]S)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]S)(N[6a]C[6a]){1|Cl<1>,1|N<2>,2|H<1>}	114.9135	0.135	2	114.9135	0.018	2	114.7692	0.260	43	115.3923	3.215	56	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:Cl-1:	N[5a,6]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a,6]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a,6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	C[5a,6a](N[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a,6]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a,6]){1|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](N[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a]){1|Cl<1>,1|N<2>,1|O<2>,2|C<4>,2|H<1>}	114.3410	0.000	1	114.3410	0.000	1	114.3410	0.000	1	115.3923	3.215	56	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H){1|C<3>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>}	115.6550	0.241	5	115.6550	0.058	5	115.6790	0.050	6	115.3923	3.215	56	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H){1|C<3>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	115.7990	0.000	1	115.7990	0.000	1	115.6790	0.050	6	115.3923	3.215	56	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:O[6a]-2:O-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]O[6a]O)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(O[6a]C[6a,6a])(O)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]O[6a]O)(N[5a]N[5a]){1|C<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(O[6a]C[6a,6a])(O){1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	122.9500	0.000	1	122.9500	0.000	1	122.9500	0.000	1	115.3923	3.215	56	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:O[6a]-2:O-1:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a]O[6a]O)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(O[6a]C[6a,6a])(O)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a]O[6a]O)(N[5a]C[5a]){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(O[6a]C[6a,6a])(O){1|O<2>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(O[5a]C[5a]){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	121.8240	0.000	1	121.8240	0.000	1	121.8240	0.000	1	115.3923	3.215	56	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:O[6a]-2:O-1:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[6a]O[6a]O)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(O[6a]C[6a,6a])(O)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[6a]O[6a]O)(N[5a]C[5a]){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(O[6a]C[6a,6a])(O){1|S<2>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(S[5a]C[5a]){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	121.2500	0.000	1	121.2500	0.000	1	121.2500	0.000	1	115.3923	3.215	56	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]Cl)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a])(Cl)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]Cl)(S[5a]C[5a]){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a])(Cl){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|I<1>,1|N<2>}	116.6770	0.000	1	116.6770	0.000	1	116.6770	0.000	1	115.3923	3.215	56	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]Cl)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]Cl)(N[5a]N[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|Cl<1>,1|H<1>,1|N<2>}	118.1790	0.000	1	118.1790	0.000	1	118.1790	0.000	1	121.1934	4.116	7	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[5a,6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[5a,6a])(H){2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6]){1|C<3>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	120.3040	0.000	1	120.3040	0.000	1	120.3040	0.000	1	121.1934	4.116	7	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]H)(N[5a]N[5a]){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(H){1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a]){1|N<2>,2|H<1>,4|C<3>}	120.5290	0.000	1	120.5290	0.000	1	120.5290	0.000	1	121.1934	4.116	7	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(O[5a]C[5a]){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a])(H){4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	122.5830	0.047	2	122.5830	0.002	2	122.5830	0.002	2	121.1934	4.116	7	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(S[5a]C[5a]){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a])(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|N<2>,3|H<1>}	119.9770	0.000	1	119.9770	0.000	1	119.9770	0.000	1	121.1934	4.116	7	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:O[6a]-2:O-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]O[6a]O)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(O[6a]C[6a,6a])(O)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]O[6a]O)(S[5a]C[5a]){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(O[6a]C[6a,6a])(O){4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	124.1990	0.000	1	124.1990	0.000	1	124.1990	0.000	1	121.1934	4.116	7	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:N-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|Cl<1>,1|C<4>,1|O<2>,2|H<1>,2|N<2>}	116.9850	0.000	1	116.9850	0.000	1	116.1133	1.425	3	116.4196	0.801	19	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:N-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NH){1|C<3>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,1|N<3>,2|N<2>}	116.6020	0.000	1	116.6020	0.000	1	116.1133	1.425	3	116.4196	0.801	19	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:N-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NN){1|C<3>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,3|N<2>}	114.7530	0.000	1	114.7530	0.000	1	116.1133	1.425	3	116.4196	0.801	19	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:O-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Br)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a]){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Br)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	118.5550	0.000	1	118.5550	0.000	1	118.5550	0.000	1	116.4196	0.801	19	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:O-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC){1|C<3>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,1|O<2>}	115.1380	0.000	1	115.1380	0.000	1	115.4350	0.713	3	116.4196	0.801	19	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:O-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC){1|C<3>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,2|H<1>,2|O<2>}	114.7790	0.000	1	114.7790	0.000	1	115.4350	0.713	3	116.4196	0.801	19	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:O-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a]){1|N<2>,1|O<2>,2|H<1>}	116.3880	0.000	1	116.3880	0.000	1	115.4350	0.713	3	116.4196	0.801	19	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:S-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC){1|C<3>,1|N<2>,1|N<3>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,2|S<2>}	116.1580	0.000	1	116.6330	0.278	7	116.5643	0.195	12	116.4196	0.801	19	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:S-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC){1|C<3>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,1|S<2>}	115.7560	0.000	1	116.6330	0.278	7	116.5643	0.195	12	116.4196	0.801	19	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:S-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a]){1|C<3>,1|C<4>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,2|S<2>}	116.5750	0.000	1	116.6330	0.278	7	116.5643	0.195	12	116.4196	0.801	19	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:S-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|N<2>,1|S<2>,2|H<1>}	116.9855	0.240	4	116.6330	0.278	7	116.5643	0.195	12	116.4196	0.801	19	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:S-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a]){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a]){1|N<2>,1|S<2>,2|H<1>}	116.7905	0.165	2	116.7905	0.027	2	116.5643	0.195	12	116.4196	0.801	19	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:S-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a]){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC[6a]){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a]){1|N<2>,1|S<2>,2|H<1>}	116.3490	0.000	1	116.2533	0.010	3	116.5643	0.195	12	116.4196	0.801	19	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:S-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a]){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC[6a]){1|C<3>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,1|S<2>}	116.2055	0.073	2	116.2533	0.010	3	116.5643	0.195	12	116.4196	0.801	19	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:O-2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]O)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(OC)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(OC){1|N<3>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	118.5500	0.000	1	118.5500	0.000	1	118.5500	0.000	1	118.5500	0.000	1	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[6a]-2:O[5a]-2:	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a])(O[5a]C[5a])	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|N<2>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a])(O[5a]C[5a]){1|N<2>,1|N<3>,2|C<4>}	116.1950	0.000	1	116.1950	0.000	1	116.1950	0.000	1	116.1950	0.000	1	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|O<2>,2|H<1>,5|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(O[5a]C[5a]){1|H<1>,1|N<2>,4|C<3>}	119.1540	0.000	1	119.1540	0.000	1	119.1540	0.000	1	117.0684	0.832	160	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]N)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]S[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]N)(N[5a]S[5a]){1|C<3>,1|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]S[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	117.4130	0.000	1	117.4130	0.000	1	117.4130	0.000	1	117.0684	0.832	160	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>}	115.6110	0.000	1	115.8990	0.064	4	116.9524	0.552	152	117.0684	0.832	160	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC){1|C<3>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,2|N<3>}	115.8290	0.000	1	115.8990	0.064	4	116.9524	0.552	152	117.0684	0.832	160	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>}	116.2190	0.000	1	115.8990	0.064	4	116.9524	0.552	152	117.0684	0.832	160	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC){1|C<3>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|N<2>,2|N<3>}	115.9370	0.000	1	115.8990	0.064	4	116.9524	0.552	152	117.0684	0.832	160	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|C<4>}	115.8250	0.000	1	115.8250	0.000	1	116.9524	0.552	152	117.0684	0.832	160	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	115.2080	0.000	1	115.2080	0.000	1	116.9524	0.552	152	117.0684	0.832	160	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>}	115.3950	0.000	1	115.3950	0.000	1	116.9524	0.552	152	117.0684	0.832	160	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>}	116.3603	0.725	3	116.3416	0.262	11	116.9524	0.552	152	117.0684	0.832	160	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|C<3>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,2|N<3>}	115.5430	0.000	1	116.3416	0.262	11	116.9524	0.552	152	117.0684	0.832	160	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>}	116.4477	0.376	7	116.3416	0.262	11	116.9524	0.552	152	117.0684	0.832	160	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	116.2923	0.442	3	116.2923	0.195	3	116.9524	0.552	152	117.0684	0.832	160	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	116.5690	0.000	1	116.5690	0.000	1	116.9524	0.552	152	117.0684	0.832	160	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>}	116.9843	0.198	8	116.9843	0.039	8	116.9524	0.552	152	117.0684	0.832	160	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC[3]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC[3]H){1|C<3>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|N<3>}	116.1855	0.121	2	116.1855	0.015	2	116.9524	0.552	152	117.0684	0.832	160	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC[3]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC[3]H){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(N[6a]C[6a]){1|Cl<1>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	116.5405	0.019	2	116.5405	0.000	2	116.9524	0.552	152	117.0684	0.832	160	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC[6a]2){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	115.6110	0.000	1	115.6110	0.000	1	116.9524	0.552	152	117.0684	0.832	160	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC[6a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>}	117.2780	0.000	1	116.6930	0.258	3	116.9524	0.552	152	117.0684	0.832	160	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC[6a]H){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>}	116.4005	0.056	2	116.6930	0.258	3	116.9524	0.552	152	117.0684	0.832	160	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC[6a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	116.5610	0.000	1	116.5610	0.000	1	116.9524	0.552	152	117.0684	0.832	160	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[4,5]C[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[4,5]C[5a])(N[6a]C[6a]){1|N<2>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	117.3490	0.000	1	117.3490	0.000	1	116.9524	0.552	152	117.0684	0.832	160	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<2>,1|C<3>,1|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<2>,1|N<2>,2|N<3>}	115.9580	0.000	1	117.0143	0.424	45	116.9524	0.552	152	117.0684	0.832	160	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>}	117.1095	0.553	33	117.0143	0.424	45	116.9524	0.552	152	117.0684	0.832	160	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|N<2>,1|N<3>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,1|O<2>}	116.0830	0.000	1	117.0143	0.424	45	116.9524	0.552	152	117.0684	0.832	160	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,2|N<3>}	116.7113	0.464	3	117.0143	0.424	45	116.9524	0.552	152	117.0684	0.832	160	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,1|S<2>}	117.9153	0.561	3	117.0143	0.424	45	116.9524	0.552	152	117.0684	0.832	160	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	116.0840	0.000	1	117.0143	0.424	45	116.9524	0.552	152	117.0684	0.832	160	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|N<2>,2|N<3>}	116.0485	0.281	2	117.0143	0.424	45	116.9524	0.552	152	117.0684	0.832	160	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|Pt<4>,1|C<3>,1|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|Pt<4>,1|H<1>,1|N<2>,1|N<3>}	116.9290	0.000	1	117.0143	0.424	45	116.9524	0.552	152	117.0684	0.832	160	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[4])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|D<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|D<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[4])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|D<1>}	116.5740	0.000	1	116.5810	0.056	3	116.9524	0.552	152	117.0684	0.832	160	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[4])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[4])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	116.5845	0.336	2	116.5810	0.056	3	116.9524	0.552	152	117.0684	0.832	160	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	116.7320	0.000	1	117.3728	0.684	41	116.9524	0.552	152	117.0684	0.832	160	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	117.3873	0.400	13	117.3728	0.684	41	116.9524	0.552	152	117.0684	0.832	160	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<4>,3|H<1>}	117.2085	0.949	6	117.3728	0.684	41	116.9524	0.552	152	117.0684	0.832	160	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	117.4412	1.007	21	117.3728	0.684	41	116.9524	0.552	152	117.0684	0.832	160	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	117.2760	0.000	1	116.9690	0.188	2	116.9524	0.552	152	117.0684	0.832	160	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	116.6620	0.000	1	116.9690	0.188	2	116.9524	0.552	152	117.0684	0.832	160	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Co)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|Co<6>,1|C<3>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Co)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>}	117.3675	0.029	2	117.3675	0.001	2	116.9524	0.552	152	117.0684	0.832	160	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>}	117.3299	0.455	11	117.0668	0.221	19	116.9524	0.552	152	117.0684	0.832	160	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,2|N<3>}	116.7050	0.120	8	117.0668	0.221	19	116.9524	0.552	152	117.0684	0.832	160	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|N<2>,1|N<3>,2|H<1>}	118.7460	0.000	1	118.7460	0.000	1	119.9673	0.775	4	117.0684	0.832	160	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a]){1|N<2>,1|N<3>,2|H<1>}	120.7950	0.000	1	120.7950	0.000	1	119.9673	0.775	4	117.0684	0.832	160	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C[5])(N[5a]C[5a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C[5])(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	120.1640	0.269	2	120.1640	0.072	2	119.9673	0.775	4	117.0684	0.832	160	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:N[6]-3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N[6])(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(N[6]C[6]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]2)(N[5a]N[5a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N[6])(N[5a]N[5a]){2|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(N[6]C[6]2){1|N<2>,1|O<1>,2|C<4>,2|N<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,1|N<3>,1|O<1>,3|C<3>}	118.6870	0.000	1	118.6870	0.000	1	118.6870	0.000	1	117.0684	0.832	160	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]N)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a])(NCH)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]N)(S[5a]C[5a]){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a])(NCH){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>}	119.0570	0.000	1	119.0570	0.000	1	119.0570	0.000	1	117.0684	0.832	160	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]N[6a])(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]N[6a])(N[5a]N[5a]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]H){1|H<1>,1|N<2>,3|C<3>}	120.0860	0.000	1	120.0860	0.000	1	120.0860	0.000	1	119.0619	2.146	17	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[5a]-3:N[6a]-3:	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]N)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]S[5a]C[5])(N[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]N)(N[5a]S[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|O<1>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]S[5a]C[5])(N[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	117.8955	0.271	4	117.8955	0.074	4	117.8955	0.074	4	119.0619	2.146	17	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|Cl<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>}	118.6920	0.000	1	118.6920	0.000	1	118.1210	0.274	3	119.0619	2.146	17	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHS)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHS){1|Cl<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>}	117.8355	0.243	2	117.8355	0.059	2	118.1210	0.274	3	119.0619	2.146	17	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]N){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	123.4470	0.000	1	123.4470	0.000	1	123.4470	0.000	1	119.0619	2.146	17	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]N)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C[5])(C[5a]S[5a]H)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]N)(N[5a]S[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|O<1>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C[5])(C[5a]S[5a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	118.4840	0.000	1	118.4840	0.000	1	118.4840	0.000	1	119.0619	2.146	17	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(NCC)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(NCC){1|N<3>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	119.1290	0.000	1	119.1290	0.000	1	119.6730	0.355	5	119.0619	2.146	17	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(NC[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(NC[6a]H){1|N<3>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	118.9690	0.000	1	118.9690	0.000	1	119.6730	0.355	5	119.0619	2.146	17	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(NHH)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(NHH){1|N<3>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	120.1930	0.000	1	120.1930	0.000	1	119.6730	0.355	5	119.0619	2.146	17	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(NHN)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(NHN){1|N<3>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	120.0370	0.307	2	120.0370	0.094	2	119.6730	0.355	5	119.0619	2.146	17	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:N[5]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]N[5])(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(N[5]C[5]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]N[5])(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(N[5]C[5]2){1|H<1>,1|N<3>,2|C<3>,2|C<4>,2|O<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|N<2>,1|N<3>,2|H<1>}	118.0000	0.000	1	118.0000	0.000	1	118.0000	0.000	1	119.0619	2.146	17	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]N)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a])(NC[6a]2)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]N)(S[5a]C[5a]){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a])(NC[6a]2){4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	119.7250	0.000	1	119.7250	0.000	1	119.7250	0.000	1	119.0619	2.146	17	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:4:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C)(N[5a]C[5a]){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	117.4410	0.000	1	117.4410	0.000	1	117.4410	0.000	1	118.3669	7.315	7	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:4:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:C[3]-4:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a]N[6a]C[3])(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(C[3]C[3]2H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a]N[6a]C[3])(N[5a]C[5a]){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(C[3]C[3]2H){1|O<2>,3|C<3>,4|H<1>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(O[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	119.5440	0.000	1	119.5440	0.000	1	119.5440	0.000	1	118.3669	7.315	7	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:4:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:P-4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]P)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(PO3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]P)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(PO3){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|N<2>,1|P<4>,2|H<1>}	116.2200	0.072	2	116.0047	0.142	3	116.0047	0.142	3	118.3669	7.315	7	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:4:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:P-4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]P)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(PO3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]P)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(PO3){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,1|P<4>}	115.5740	0.000	1	116.0047	0.142	3	116.0047	0.142	3	118.3669	7.315	7	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:4:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]C)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]N[6a])(CH3)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]N[6a]O)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]C)(S[5a]C[5a]){1|C<4>,1|N<3>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]N[6a])(CH3){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]N[6a]O)(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<4>}	122.5800	0.000	1	121.7845	1.266	2	121.7845	1.266	2	118.3669	7.315	7	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:4:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]C)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]N[6a])(CH3)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]N[6a]O)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]C)(S[5a]C[5a]){1|C<4>,1|N<3>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]N[6a])(CH3){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,1|N<2>,2|C<4>}	120.9890	0.000	1	121.7845	1.266	2	121.7845	1.266	2	118.3669	7.315	7	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]C)(O[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]N[6a])(CH3)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]N[5a]C)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]C)(O[5a]N[5a]){1|C<4>,1|N<3>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]N[6a])(CH3){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]N[5a]C)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|N<2>}	122.4900	0.000	1	122.4900	0.000	1	122.4900	0.000	1	122.4900	0.000	1	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]Cl)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]Cl)(N[5a]N[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl){1|H<1>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a])(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	117.7410	0.000	1	117.7410	0.000	1	117.7410	0.000	1	119.1968	1.641	14	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]S[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]S[5a]){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H){1|H<1>,1|S<2>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]S[5a])(N[6a]C[6a]){1|C<3>,2|H<1>}	118.4130	0.045	2	118.4130	0.002	2	118.4130	0.002	2	119.1968	1.641	14	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a])(S[5a]C[5a]){2|C<3>,2|H<1>}	117.6710	0.000	1	116.9550	1.025	2	116.9550	1.025	2	119.1968	1.641	14	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,2|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a])(S[5a]C[5a]){1|H<1>,1|S<2>,2|C<3>}	116.2390	0.000	1	116.9550	1.025	2	116.9550	1.025	2	119.1968	1.641	14	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-3:S-1:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a]){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(S){1|C<3>,1|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|N<3>,1|S<1>,2|H<1>}	120.1320	0.000	1	120.1320	0.000	1	120.1320	0.000	1	119.1968	1.641	14	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:2:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]C[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)(H){2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]C[5a])(N[6a]C[6a]){1|H<1>,1|N<3>,2|C<3>}	120.5870	0.000	1	120.5870	0.000	1	120.0182	0.090	8	119.1968	1.641	14	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:2:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]C[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|C<4>,2|H<1>}	119.8620	0.220	3	119.9370	0.043	7	120.0182	0.090	8	119.1968	1.641	14	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:2:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]C[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]C[5a])(N[6a]C[6a]){1|H<1>,1|N<3>,2|C<3>}	119.9820	0.232	2	119.9370	0.043	7	120.0182	0.090	8	119.1968	1.641	14	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:2:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]C[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]C[5a])(N[6a]C[6a]){2|C<3>,2|H<1>}	120.0045	0.284	2	119.9370	0.043	7	120.0182	0.090	8	119.1968	1.641	14	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5,6a]-3:O-1:	C[5a,6a]-3:N[6a]-2:N[5a]-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5,6a]O)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5,6a]C[5,6a]C[5])(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[5,6a])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5,6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5,6a]C[5,6a]C[5])(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[5,6a])(N[5a]C[5a]H){1|H<1>,1|O<1>,2|N<3>}	120.0840	0.000	1	120.0840	0.000	1	120.0840	0.000	1	123.5970	24.682	2	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:2:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:O-1:	C[5a,6a]-3:O[6a]-2:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]O[6a])(C[6a]C[6a,6a]O)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(O)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[6a]C[6a,6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]O[6a])(C[6a]C[6a,6a]O)(O[5a]C[5a]){1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(O){1|H<1>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[6a]C[6a,6a])(C[5a]C[5a]C){1|N<3>,1|O<1>,2|C<3>}	127.1100	0.000	1	127.1100	0.000	1	127.1100	0.000	1	123.5970	24.682	2	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5,6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]Cl)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]S[5])(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]Cl)(S[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]Cl)(N[5a]S[5a]){1|Cl<1>,1|C<3>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]S[5])(Cl){1|C<3>,1|N<2>,3|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]Cl)(S[5a]S[5a]){1|Cl<1>,1|C<3>,1|N<2>}	116.2530	0.000	1	116.2530	0.000	1	116.2530	0.000	1	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]2)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]S[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]2)(H){1|C<4>,1|N<2>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]S[5a]){1|C<3>,1|C<4>,1|H<1>}	121.0530	0.298	3	121.0530	0.089	3	120.9151	0.061	15	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5,5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]S[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5,5])(H){1|N<2>,1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]S[5a]){1|H<1>,2|C<3>}	120.8420	0.096	4	120.8420	0.009	4	120.9151	0.061	15	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]S[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]S[5a]){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]S[5])(H){1|C<3>,2|N<2>,2|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]S[5a]){1|C<3>,1|H<1>,1|S<2>}	120.9000	0.285	8	120.9000	0.081	8	120.9151	0.061	15	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,2|C<3>,2|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	122.7040	0.000	1	122.7040	0.000	1	122.7040	0.000	1	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|O<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(S[5a]C[5a]){1|H<1>,1|O<2>,2|C<3>}	120.7085	0.350	2	120.7085	0.123	2	120.7085	0.123	2	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5,6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]O)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]N)(S[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]O)(N[5a]S[5a]){1|C<3>,1|N<2>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(O){1|C<3>,4|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]N)(S[5a]S[5a]){1|C<3>,1|O<1>,1|S<2>}	121.2670	0.000	1	121.2670	0.000	1	121.2670	0.000	1	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]Cl)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])2(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]Cl)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]Cl)(N[5a]S[5a]){1|Cl<1>,1|C<3>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])2(Cl){1|C<3>,2|N<2>,2|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]Cl)(N[5a]S[5a]){1|Cl<1>,1|C<3>,1|N<2>}	121.7275	0.568	2	121.7275	0.322	2	121.7275	0.322	2	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]Cl)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]Cl)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]Cl)(N[5a]C[5a]){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(Cl){1|N<2>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]Cl)(O[5a]C[5a]){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>}	121.6260	0.000	1	121.6260	0.000	1	121.6260	0.000	1	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]){1|C<2>,1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H){1|N<2>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(O[5a]C[5a]){1|C<2>,1|C<3>,1|H<1>,1|N<2>}	122.3840	0.000	1	121.9733	0.567	3	121.6734	0.453	5	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H){1|N<2>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	122.4320	0.000	1	121.9733	0.567	3	121.6734	0.453	5	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]){1|C<3>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H){1|N<2>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(O[5a]C[5a]){1|C<3>,1|N<2>,2|H<1>}	121.1040	0.000	1	121.9733	0.567	3	121.6734	0.453	5	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])2(H){2|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(O[5a]C[5a]){1|H<1>,1|O<2>,2|C<3>}	121.2235	0.026	2	121.2235	0.001	2	121.6734	0.453	5	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(H){1|N<2>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	120.7983	0.167	3	120.8260	0.069	7	120.8260	0.069	7	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]){1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(H){1|N<2>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(S[5a]C[5a]){1|C<3>,1|N<2>,2|H<1>}	120.6220	0.000	1	120.8260	0.069	7	120.8260	0.069	7	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]){1|H<1>,1|S<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(H){1|N<2>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(S[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	120.9217	0.379	3	120.8260	0.069	7	120.8260	0.069	7	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]O)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])2(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]O)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]O)(N[5a]N[5a]){1|C<3>,1|N<2>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])2(O){1|C<3>,4|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]O)(N[5a]N[5a]){1|C<3>,1|N<2>,1|O<1>}	124.3590	0.303	2	124.3590	0.092	2	124.3590	0.092	2	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]O)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])2(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]O)(S[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]O)(N[5a]S[5a]){1|C<3>,1|N<2>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])2(O){1|C<3>,4|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]O)(S[5a]S[5a]){1|C<3>,1|O<1>,1|S<2>}	120.7160	1.218	2	120.7160	1.483	2	120.7160	1.483	2	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6,6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6,6a]H)(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)(O[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	119.1250	0.000	1	119.1250	0.000	1	119.1250	0.000	1	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6,6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6,6a]H)(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(H){1|N<3>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)(S[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	119.5740	0.000	2	119.5740	0.000	2	119.5740	0.000	2	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(O[5a]C[5a]){1|H<1>,3|C<3>}	120.4000	0.000	1	120.4000	0.000	1	120.4000	0.000	1	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]Br)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(Br)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]Br)(N[5a]S[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(Br){1|C<3>,1|C<4>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]S[5a]){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	118.0930	0.000	1	118.0930	0.000	1	118.0930	0.000	1	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]O[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]O[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]O[5a]){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]O[5a]){1|Br<1>,1|C<3>,1|H<1>}	120.5725	0.121	2	120.5725	0.015	2	120.0872	0.658	16	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(Br)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]S[5a]){1|C<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(Br){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]S[5a]){1|Br<1>,1|H<1>,3|C<3>}	119.8060	0.000	1	119.8060	0.000	1	120.0872	0.658	16	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]S[5a]){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a]){1|Br<1>,1|C<3>,1|H<1>}	119.6123	0.763	4	119.6123	0.582	4	120.0872	0.658	16	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]S[5a]){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a]){1|Br<1>,1|C<3>,1|H<1>}	118.9360	0.000	1	118.9360	0.000	1	120.0872	0.658	16	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(Br)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]S[5a]){1|Br<1>,1|C<3>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(Br){1|C<3>,1|N<2>,1|N<3>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]S[5a]){1|Br<1>,1|C<3>,1|N<3>}	120.7953	0.321	6	120.7953	0.103	6	120.0872	0.658	16	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(Br)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]N[6a])(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]S[5a]){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(Br){1|C<3>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]N[6a])(N[5a]S[5a]){1|Br<1>,1|S<2>,2|C<3>}	119.2720	0.000	1	119.2720	0.000	1	120.0872	0.658	16	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(Br)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]Cl)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]S[5a]){1|Cl<1>,1|H<1>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(Br){1|C<3>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]Cl)(N[5a]S[5a]){1|Br<1>,1|C<3>}	119.0150	0.000	1	119.0150	0.000	1	120.0872	0.658	16	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]Br)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]Br)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br){2|C<3>,2|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|Br<1>,1|O<2>,2|C<3>}	118.1820	0.000	1	118.1820	0.000	1	118.1820	0.000	1	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]Cl)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]Cl)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	118.2447	0.140	3	118.2447	0.020	3	118.2447	0.020	3	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]Cl)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]Cl)(N[5a]N[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl){1|H<1>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|H<1>}	116.7180	0.000	1	116.7180	0.000	1	116.7180	0.000	1	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H){1|C<3>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	122.9642	1.008	6	122.9642	1.016	6	122.8416	0.952	7	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]N)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a]N[5a])(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|C<3>,1|N<2>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]N)(H){1|C<3>,1|S<2>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a]N[5a])(N[5a]S[5a]){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	122.1060	0.000	1	122.1060	0.000	1	122.8416	0.952	7	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a]N[5a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|H<1>,2|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H){1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a]N[5a])(S[5a]C[5a]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	121.0780	0.000	1	121.5797	0.602	3	121.5797	0.602	3	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a]N[5a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H){1|N<3>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a]N[5a])(S[5a]C[5a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	121.8305	0.909	2	121.5797	0.602	3	121.5797	0.602	3	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H){1|C<3>,1|N<2>,1|N<3>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]S[5a]){1|N<3>,2|C<3>,2|H<1>}	120.5890	0.000	1	120.8110	0.099	2	120.8110	0.099	2	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H){1|N<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]S[5a]){1|H<1>,1|O<1>,3|C<3>}	121.0330	0.000	1	120.8110	0.099	2	120.8110	0.099	2	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){1|N<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2)(N[5a]S[5a]){1|H<1>,4|C<3>}	120.5749	0.999	8	120.5749	0.998	8	120.5749	0.998	8	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	121.0983	0.584	24	121.0588	0.390	99	120.8247	0.423	163	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	121.0560	0.639	74	121.0588	0.390	99	120.8247	0.423	163	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|H<1>,1|N<3>,2|C<3>}	120.3200	0.000	1	121.0588	0.390	99	120.8247	0.423	163	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	122.1700	0.000	1	122.1700	0.000	1	120.8247	0.423	163	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]Cl)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(H){1|C<3>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]Cl)(N[5a]N[5a]){1|C<3>,1|C<4>,1|H<1>}	119.5240	0.000	1	119.5240	0.000	1	120.8247	0.423	163	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]O[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]O[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]O[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a]C[6a])(H){1|H<1>,1|O<2>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]O[5a]){1|C<3>,2|H<1>}	121.3940	0.000	1	121.3940	0.000	1	120.8247	0.423	163	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]O[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]O[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]O[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]O[5a]){1|C<3>,2|H<1>}	121.2150	0.000	1	121.2150	0.000	1	120.8247	0.423	163	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]O[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]O[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]O[5a]){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]O[5a]){1|C<3>,1|C<4>,1|H<1>}	120.7260	0.000	1	120.5313	0.041	3	120.8247	0.423	163	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]O[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]O[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]O[5a]){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]O[5a]){1|C<3>,1|H<1>,1|N<3>}	120.5470	0.000	1	120.5313	0.041	3	120.8247	0.423	163	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]O[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]O[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]O[5a]){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]O[5a]){1|H<1>,2|C<3>}	120.3210	0.000	1	120.5313	0.041	3	120.8247	0.423	163	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]O[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]O[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]O[5a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[5a])(H){1|H<1>,1|O<2>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]O[5a]){1|C<3>,2|H<1>}	121.5700	0.000	1	121.5700	0.000	1	120.8247	0.423	163	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a]C[6a])(H){1|N<2>,1|N<3>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|H<1>,2|C<3>}	119.9205	0.059	2	119.9205	0.003	2	120.8247	0.423	163	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|C<3>,2|H<1>}	120.6245	0.081	2	120.6245	0.007	2	120.8247	0.423	163	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<2>,1|C<3>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|C<2>,1|C<3>,1|H<1>}	120.2264	0.340	10	120.2319	0.104	11	120.8247	0.423	163	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|C<3>,2|H<1>}	120.2870	0.000	1	120.2319	0.104	11	120.8247	0.423	163	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a]){1|N<2>,2|C<3>,2|H<1>}	119.7900	0.000	1	120.4116	0.111	12	120.8247	0.423	163	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a]){1|N<3>,2|C<3>,2|H<1>}	120.4791	0.250	8	120.4116	0.111	12	120.8247	0.423	163	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a]){1|S<2>,2|C<3>,2|H<1>}	120.4387	0.422	3	120.4116	0.111	12	120.8247	0.423	163	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]S[5a]){2|H<1>,3|C<3>}	120.9425	0.409	2	120.9425	0.168	2	120.8247	0.423	163	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a]){1|C<3>,2|H<1>}	120.6223	0.280	3	120.6223	0.078	3	120.8247	0.423	163	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|H<1>,2|C<3>}	120.0260	0.140	3	120.0260	0.020	3	120.8247	0.423	163	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]I)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]I)(N[5a]S[5a]){1|C<3>,1|F<1>,1|H<1>}	121.0590	0.000	1	121.0590	0.000	1	120.8247	0.423	163	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a]){1|C<3>,2|H<1>}	120.2855	0.120	2	120.3949	0.243	17	120.8247	0.423	163	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a]){1|Cl<1>,1|C<3>,1|H<1>}	120.2423	0.195	3	120.3949	0.243	17	120.8247	0.423	163	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a]){1|C<3>,2|H<1>}	120.5377	0.648	9	120.3949	0.243	17	120.8247	0.423	163	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a]){1|Cl<1>,1|C<3>,1|H<1>}	120.1270	0.136	2	120.3949	0.243	17	120.8247	0.423	163	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a]){1|C<3>,2|H<1>}	120.3220	0.000	1	120.3949	0.243	17	120.8247	0.423	163	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[5])(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[5])(N[5a]S[5a]){2|H<1>,3|C<3>}	121.1650	0.000	1	121.1650	0.000	1	120.8247	0.423	163	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[5a])(H){1|N<2>,1|N<3>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|C<3>,1|H<1>,1|N<3>}	120.3970	0.195	2	120.3970	0.038	2	120.8247	0.423	163	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H){2|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,1|O<2>,2|C<3>}	119.6635	0.062	2	119.6635	0.004	2	120.0604	0.509	131	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(O[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	121.3713	0.266	3	121.1618	0.154	5	120.0604	0.509	131	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(O[5a]C[5a]){2|C<3>,2|H<1>}	120.8475	0.378	2	121.1618	0.154	5	120.0604	0.509	131	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|S<2>,2|H<1>}	119.9510	0.000	1	120.0814	0.122	8	120.0604	0.509	131	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,2|H<1>}	120.1000	0.373	7	120.0814	0.122	8	120.0604	0.509	131	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	120.2724	0.664	5	120.1107	0.388	12	120.0604	0.509	131	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	119.7510	0.000	1	120.1107	0.388	12	120.0604	0.509	131	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|C<3>,1|H<1>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|S<2>,2|H<1>}	120.8720	0.000	1	120.1107	0.388	12	120.0604	0.509	131	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,2|H<1>}	119.8688	0.586	5	120.1107	0.388	12	120.0604	0.509	131	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,4|C<3>}	119.4210	0.000	1	119.4210	0.000	1	120.0604	0.509	131	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(O[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	120.3210	0.000	1	120.3210	0.000	1	120.0604	0.509	131	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	120.6059	0.576	12	119.9967	0.526	100	120.0604	0.509	131	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	120.0810	0.264	3	119.9967	0.526	100	120.0604	0.509	131	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|C<3>,2|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	119.6010	0.000	1	119.9967	0.526	100	120.0604	0.509	131	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	119.6835	0.599	4	119.9967	0.526	100	120.0604	0.509	131	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|Cl<1>,1|C<3>,1|H<1>,1|S<2>}	119.3640	0.000	1	119.9967	0.526	100	120.0604	0.509	131	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|S<2>,2|H<1>}	119.7183	0.925	11	119.9967	0.526	100	120.0604	0.509	131	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|F<1>,1|H<1>,2|C<3>}	119.4410	0.000	1	119.9967	0.526	100	120.0604	0.509	131	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,2|H<1>}	120.0147	0.661	63	119.9967	0.526	100	120.0604	0.509	131	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	118.5605	0.931	2	119.9967	0.526	100	120.0604	0.509	131	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|C<3>,2|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,1|O<2>,2|C<3>}	120.0320	0.014	2	119.9967	0.526	100	120.0604	0.509	131	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){2|C<3>,2|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(O[5a]C[5a]){1|C<3>,1|O<2>,2|H<1>}	120.6905	0.432	2	120.6905	0.187	2	120.0604	0.509	131	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	119.5270	0.000	1	119.5270	0.000	1	119.5992	0.399	504	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|F<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|F<1>,1|H<1>,1|N<3>}	119.8480	0.000	1	120.1318	0.121	6	119.5992	0.399	504	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){2|C<3>,2|H<1>}	120.1886	0.357	5	120.1318	0.121	6	119.5992	0.399	504	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|B<6>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|B<6>,1|C<3>,2|H<1>}	119.6870	0.195	2	119.5619	0.374	482	119.5992	0.399	504	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<2>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<2>,1|C<3>,2|H<1>}	118.9670	0.000	1	119.5619	0.374	482	119.5992	0.399	504	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	119.8291	0.645	47	119.5619	0.374	482	119.5992	0.399	504	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|I<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|I<1>}	118.9640	0.000	1	119.5619	0.374	482	119.5992	0.399	504	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	118.8135	0.581	2	119.5619	0.374	482	119.5992	0.399	504	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<6>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<6>,2|H<1>}	119.7550	0.000	1	119.5619	0.374	482	119.5992	0.399	504	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>}	120.1235	0.811	2	119.5619	0.374	482	119.5992	0.399	504	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|N<2>,2|H<1>}	119.4083	0.529	19	119.5619	0.374	482	119.5992	0.399	504	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	119.3342	0.307	4	119.5619	0.374	482	119.5992	0.399	504	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|S<2>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|H<1>,1|N<2>,1|S<4>}	118.7320	0.000	1	119.5619	0.374	482	119.5992	0.399	504	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|Br<1>,1|C<3>,1|H<1>,1|N<3>}	119.5515	1.122	4	119.5619	0.374	482	119.5992	0.399	504	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	118.9941	0.336	8	119.5619	0.374	482	119.5992	0.399	504	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	119.5733	0.189	7	119.5619	0.374	482	119.5992	0.399	504	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|F<1>,1|H<1>,1|N<3>}	119.7856	0.551	8	119.5619	0.374	482	119.5992	0.399	504	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	119.4018	0.584	67	119.5619	0.374	482	119.5992	0.399	504	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|H<1>,2|N<3>}	119.5727	0.608	4	119.5619	0.374	482	119.5992	0.399	504	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	118.9987	0.374	20	119.5619	0.374	482	119.5992	0.399	504	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|S<2>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|H<1>,1|N<3>,1|S<4>}	119.5250	0.610	3	119.5619	0.374	482	119.5992	0.399	504	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	119.5370	0.167	4	119.5619	0.374	482	119.5992	0.399	504	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|O<2>,2|H<1>}	119.5264	0.674	5	119.5619	0.374	482	119.5992	0.399	504	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|P<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|P<2>,2|H<1>}	120.4380	0.000	1	119.5619	0.374	482	119.5992	0.399	504	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|P<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|P<3>,2|H<1>}	120.1585	0.056	2	119.5619	0.374	482	119.5992	0.399	504	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|P<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|P<4>,2|H<1>}	119.8116	0.626	7	119.5619	0.374	482	119.5992	0.399	504	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|S<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|S<1>,2|H<1>}	119.8540	1.003	2	119.5619	0.374	482	119.5992	0.399	504	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|Br<1>,1|C<3>,1|H<1>,1|S<2>}	119.8980	0.000	1	119.5619	0.374	482	119.5992	0.399	504	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|S<2>,2|H<1>}	119.4316	0.762	39	119.5619	0.374	482	119.5992	0.399	504	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|S<4>,2|H<1>}	119.7720	0.334	10	119.5619	0.374	482	119.5992	0.399	504	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,3|H<1>}	120.3070	0.000	1	119.5619	0.374	482	119.5992	0.399	504	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	119.7913	0.355	3	119.5619	0.374	482	119.5992	0.399	504	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){2|C<3>,2|H<1>}	119.6310	0.000	1	119.5619	0.374	482	119.5992	0.399	504	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|Br<1>,1|H<1>,2|C<3>}	119.5337	0.507	3	119.5619	0.374	482	119.5992	0.399	504	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|Cl<1>,1|H<1>,2|C<3>}	118.8900	0.000	1	119.5619	0.374	482	119.5992	0.399	504	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|F<1>,1|H<1>,2|C<3>}	119.3860	0.494	2	119.5619	0.374	482	119.5992	0.399	504	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){2|C<3>,2|H<1>}	119.6675	0.579	186	119.5619	0.374	482	119.5992	0.399	504	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|H<1>,1|O<2>,2|C<3>}	119.2028	0.519	11	119.5619	0.374	482	119.5992	0.399	504	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|S<2>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|H<1>,1|S<4>,2|C<3>}	119.6580	0.000	1	119.5619	0.374	482	119.5992	0.399	504	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|H<1>,3|C<3>}	119.9050	0.000	1	119.5619	0.374	482	119.5992	0.399	504	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	120.4860	0.732	3	120.4860	0.535	3	119.5992	0.399	504	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]S)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,1|S<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]S)(H){1|N<3>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	119.8470	0.000	1	119.8470	0.000	1	119.5992	0.399	504	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(S[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(S[5a]N[5a]){1|C<3>,2|H<1>}	120.6855	0.375	11	120.6855	0.140	11	119.5992	0.399	504	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Br<1>,1|C<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){2|C<3>,2|H<1>}	118.0321	0.534	11	118.0321	0.285	11	117.9995	0.311	22	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,2|H<1>}	117.6680	0.000	1	117.6680	0.000	1	117.9995	0.311	22	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,1|O<2>,2|C<3>}	116.9790	0.000	1	116.9790	0.000	1	117.9995	0.311	22	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,2|H<1>}	117.3640	0.000	1	118.0850	0.410	5	117.9995	0.311	22	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a]){1|C<3>,3|H<1>}	118.1157	0.600	3	118.0850	0.410	5	117.9995	0.311	22	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a]){2|C<3>,2|H<1>}	118.7140	0.000	1	118.0850	0.410	5	117.9995	0.311	22	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]O)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]O)(N[6a]C[6a]){1|C<3>,2|H<1>}	118.1410	0.505	4	118.1410	0.255	4	117.9995	0.311	22	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Br<1>,1|C<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){2|C<3>,2|H<1>}	120.2550	0.084	4	120.2550	0.007	4	120.2550	0.007	4	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){1|N<2>,1|S<2>,2|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]S[5a]){2|H<1>,3|C<3>}	120.6660	0.583	2	120.6660	0.339	2	120.6660	0.339	2	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){1|N<2>,1|O<2>,2|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(O[5a]C[5a]){1|H<1>,1|N<2>,3|C<3>}	121.1385	0.030	2	121.1385	0.001	2	121.1385	0.001	2	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){1|S<2>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(S[5a]C[5a]){2|H<1>,4|C<3>}	119.8695	0.043	2	119.8695	0.002	2	119.8695	0.002	2	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:I-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]I)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(I)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]I)(N[5a]S[5a]){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(I){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|C<3>,1|H<1>,1|I<1>}	120.2900	0.000	1	120.2900	0.000	1	119.7835	0.214	4	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:I-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]I)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(I)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]I)(N[5a]S[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(I){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]S[5a]){1|H<1>,1|I<1>,3|C<3>}	119.3850	0.000	1	119.3850	0.000	1	119.7835	0.214	4	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:I-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]I)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(I)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]I)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]I)(N[5a]S[5a]){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(I){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]I)(N[5a]S[5a]){1|C<3>,1|H<1>,1|I<1>}	119.7295	0.470	2	119.7295	0.221	2	119.7835	0.214	4	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:I-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]I)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(I)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]I)(N[5a]C[5a]){1|C<3>,1|H<1>,2|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(I){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|H<1>,1|I<1>,1|N<3>}	119.0660	0.287	2	119.0660	0.082	2	119.0660	0.082	2	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:O[6a]-2:	C[5a,6a](C[5a,6a]C[5a]O[6a])(C[6a]C[6a]O)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(O[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a]O[6a])(C[6a]C[6a]O)(N[5a]N[5a]){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O){1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(O[6a]C[6a]){1|H<1>,1|O<1>,2|C<3>}	120.2250	0.000	1	120.2250	0.000	1	120.2250	0.000	1	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a,6a]-3:O-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a,6a]O)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a,6a]C[5a,6a]N[5a])(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(N[6a]C[5a,6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a,6a]O)(N[5a]N[5a]){1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a,6a]C[5a,6a]N[5a])(O){1|C<3>,2|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(N[6a]C[5a,6a]){1|O<1>,2|C<3>,2|N<3>}	121.7020	0.000	1	121.7020	0.000	1	121.7020	0.000	1	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]O)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]S[5a]Br)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]O)(N[5a]S[5a]){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|S<2>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]S[5a]Br)(N[6a]C[6a]){1|N<2>,1|N<3>,1|O<1>}	118.4650	0.000	1	118.4650	0.000	1	118.4650	0.000	1	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]N[6a]O)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]N[6a])(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]C)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,1|N<2>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]N[6a])(O){1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]C)(S[5a]C[5a]){1|C<4>,1|N<3>,1|O<1>}	120.2780	0.000	1	120.2780	0.000	1	119.4220	1.465	2	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]N[6a]O)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]N[6a]H)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]C)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]N[6a]O)(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]N[6a]H)(O){1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]C)(S[5a]C[5a]){1|C<4>,1|N<3>,1|O<1>}	118.5660	0.000	1	118.5660	0.000	1	119.4220	1.465	2	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O){1|N<2>,1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	120.0280	0.000	1	119.9030	0.031	2	119.3559	0.756	56	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O){1|N<2>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a]){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	119.7780	0.000	1	119.9030	0.031	2	119.3559	0.756	56	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,1|O<1>,2|N<3>}	118.7276	0.685	18	118.7567	0.460	19	119.3559	0.756	56	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,1|O<1>}	119.2810	0.000	1	118.7567	0.460	19	119.3559	0.756	56	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<2>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	118.7530	0.000	1	119.2724	0.512	19	119.3559	0.756	56	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|N<3>}	120.9490	0.000	1	119.2724	0.512	19	119.3559	0.756	56	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	119.4530	1.058	4	119.2724	0.512	19	119.3559	0.756	56	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	119.0015	0.624	2	119.2724	0.512	19	119.3559	0.756	56	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|O<1>,1|O<2>,2|H<1>,2|N<3>}	119.2379	0.350	10	119.2724	0.512	19	119.3559	0.756	56	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|O<1>,2|C<4>,2|H<1>,2|N<3>}	118.2800	0.000	1	119.2724	0.512	19	119.3559	0.756	56	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(N[6a]C[6a]){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	120.1708	1.035	6	120.1708	1.071	6	119.3559	0.756	56	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a]){1|N<3>,1|O<1>,2|H<1>}	119.6880	0.000	1	119.6880	0.000	1	119.3559	0.756	56	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]Pt)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|Pt<4>,1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]Pt)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|N<3>,1|O<1>,2|H<1>}	119.0340	0.000	1	119.0340	0.000	1	119.3559	0.756	56	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a]){1|C<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O){2|C<3>,2|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C)(N[6a]C[6a]){1|O<1>,2|N<3>}	119.6270	0.000	1	119.6270	0.000	1	119.3559	0.756	56	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a]){1|C<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|N<3>,1|O<2>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	120.6250	0.148	2	120.6250	0.022	2	119.3559	0.756	56	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a]){1|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|N<3>,1|O<2>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C)(N[6a]C[6a]){1|N<3>,1|O<1>,1|O<2>}	120.1657	0.216	3	120.1657	0.047	3	119.3559	0.756	56	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[6])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a]){1|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|N<3>,1|O<2>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[6])(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|O<2>}	120.0430	0.000	1	120.0430	0.000	1	119.3559	0.756	56	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]N)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a]){1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]N)(O){2|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|O<1>,2|C<3>,2|N<3>}	120.4050	0.000	1	120.4050	0.000	1	119.3559	0.756	56	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]N[5a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a]){1|Cu<5>,1|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|N<2>,1|O<1>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]N[5a]){1|Cu<5>,1|N<3>,2|O<1>}	122.3655	0.672	2	122.3645	0.201	4	122.3645	0.201	4	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]N[5a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a]){1|Ni<6>,1|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|N<2>,1|O<1>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]N[5a]){1|Ni<6>,1|N<3>,2|O<1>}	122.3635	0.388	2	122.3645	0.201	4	122.3645	0.201	4	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a]N[6a]O)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]C)(O)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a]N[6a]O)(N[5a]C[5a]){2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]C)(O){1|N<2>,1|O<2>,2|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(O[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	121.3530	0.000	1	121.3530	0.000	1	121.3530	0.000	1	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6,6,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6,6a]H)(N[5a]S[5a])	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a,6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6,6a]H)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6,6a]H)(N[5a]S[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a,6a]N[5a])(H){1|C<4>,1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6,6a]H)(N[5a]S[5a]){1|C<3>,1|C<4>,1|H<1>}	120.5941	0.395	21	120.5941	0.156	21	120.5941	0.156	21	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	123.9050	0.000	1	123.9050	0.000	1	123.9050	0.000	1	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]Cl)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(Cl)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]Cl)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]Cl)(O[5a]C[5a]){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(Cl){1|N<2>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]Cl)(N[5a]C[5a]){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>}	124.7780	0.000	1	124.7780	0.000	1	124.7780	0.000	1	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(N[6a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a,6a]){4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(H){1|C<4>,1|N<3>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(N[6a]C[5a,6a]){1|N<3>,2|H<1>,3|C<3>}	122.8230	0.000	1	122.8230	0.000	1	122.8230	0.000	1	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(O[5a]C[5a]){1|C<2>,1|C<3>,1|H<1>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H){1|N<2>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]){1|C<2>,1|C<3>,1|H<1>,1|O<2>}	125.3120	0.000	1	125.4297	0.886	3	125.3462	0.618	4	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H){1|N<2>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	124.5530	0.000	1	125.4297	0.886	3	125.3462	0.618	4	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(O[5a]C[5a]){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H){1|N<2>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]){1|C<3>,1|O<2>,2|H<1>}	126.4240	0.000	1	125.4297	0.886	3	125.3462	0.618	4	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])2(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(O[5a]C[5a]){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])2(H){2|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	125.0960	0.000	1	125.0960	0.000	1	125.3462	0.618	4	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(O[5a]B[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])2(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(O[5a]B[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(O[5a]B[5a]){1|C<3>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])2(H){1|C<3>,2|B<3>,2|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(O[5a]B[5a]){1|C<3>,1|O<2>,2|H<1>}	123.4810	0.236	2	123.5877	0.027	12	123.5877	0.027	12	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(O[5a]B[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])2(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(O[5a]B[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(O[5a]B[5a]){1|Cl<1>,1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]O[5a])2(H){1|C<3>,2|B<3>,2|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(O[5a]B[5a]){1|Cl<1>,1|C<3>,1|H<1>,1|O<2>}	123.6900	0.352	2	123.5877	0.027	12	123.5877	0.027	12	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(O[5a]B[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])2(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(O[5a]B[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(O[5a]B[5a]){1|Fe<8>,1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]O[5a])2(H){1|C<3>,2|B<3>,2|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(O[5a]B[5a]){1|Fe<8>,1|C<3>,1|H<1>,1|O<2>}	123.5820	0.061	6	123.5877	0.027	12	123.5877	0.027	12	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(O[5a]B[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])2(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(O[5a]B[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(O[5a]B[5a]){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])2(H){1|C<3>,2|B<3>,2|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(O[5a]B[5a]){1|H<1>,1|O<2>,2|C<3>}	123.6090	0.235	2	123.5877	0.027	12	123.5877	0.027	12	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6,6a]N[6])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6,6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)(O[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6,6a]N[6])(H){3|C<3>,3|N<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6,6a]H)(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	125.5370	0.000	1	125.5370	0.000	1	125.5370	0.000	1	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(O[5a]C[5a]){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	124.0920	0.000	1	124.0920	0.000	1	124.0920	0.000	1	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H)(O[5a]B[5a,5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]C[6a])(O[5a]B[5a,5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H)(O[5a]B[5a,5a]){2|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|B<4>,1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]C[6a])(O[5a]B[5a,5a]){1|H<1>,2|O<2>,4|C<3>}	121.9199	0.473	15	121.9199	0.224	15	121.7529	0.285	25	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H)(O[5a]B[5a,6])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]2)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H)(O[5a]B[5a,6])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H)(O[5a]B[5a,6]){1|H<1>,2|C<3>,2|N<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]2)(H){1|B<4>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H)(O[5a]B[5a,6]){1|H<1>,2|C<3>,2|N<3>}	121.2097	0.440	6	121.2097	0.194	6	121.7529	0.285	25	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H)(O[5a]B[5a,6])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H)(O[5a]B[5a,6])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H)(O[5a]B[5a,6]){1|H<1>,2|C<3>,2|O<2>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|B<4>,1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H)(O[5a]B[5a,6]){1|H<1>,2|C<3>,2|O<2>}	122.1305	0.392	2	122.1305	0.154	2	121.7529	0.285	25	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H)(O[5a]B[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H)(O[5a]B[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H)(O[5a]B[5a]){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|B<4>,1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H)(O[5a]B[5a]){1|H<1>,1|N<3>,3|C<3>}	121.7525	0.330	2	121.7525	0.109	2	121.7529	0.285	25	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(Br)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]O)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(O[5a]C[5a]){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(Br){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]O)(N[5a]C[5a]){1|Br<1>,1|C<3>,1|C<4>,1|N<3>}	123.8120	0.559	2	123.8120	0.312	2	123.8120	0.312	2	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|Cl<1>,1|C<3>,1|H<1>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|S<2>,2|H<1>}	124.8550	0.000	1	124.8550	0.000	1	124.0525	0.631	130	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|F<1>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]F)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	124.7940	0.000	1	124.7940	0.000	1	124.0525	0.631	130	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	124.1707	0.072	3	124.5508	0.274	5	124.0525	0.631	130	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C)(N[5a]C[5a]){2|C<3>,2|H<1>}	125.1210	0.020	2	124.5508	0.274	5	124.0525	0.631	130	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	124.2714	0.595	5	123.9323	0.628	109	124.0525	0.631	130	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	123.4600	0.708	12	123.9323	0.628	109	124.0525	0.631	130	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	124.5280	0.000	1	123.9323	0.628	109	124.0525	0.631	130	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	124.7730	0.369	4	123.9323	0.628	109	124.0525	0.631	130	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	123.6180	0.000	1	123.9323	0.628	109	124.0525	0.631	130	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|C<3>,1|H<1>,1|S<2>}	123.7340	0.000	1	123.9323	0.628	109	124.0525	0.631	130	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|S<2>,2|H<1>}	124.2755	1.044	11	123.9323	0.628	109	124.0525	0.631	130	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	123.4730	0.448	7	123.9323	0.628	109	124.0525	0.631	130	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|H<1>,2|C<3>}	123.8392	0.321	5	123.9323	0.628	109	124.0525	0.631	130	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	123.9392	0.796	62	123.9323	0.628	109	124.0525	0.631	130	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]N)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<3>,3|H<1>}	124.8535	0.497	2	124.8535	0.247	2	124.0525	0.631	130	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]O)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	124.6230	0.000	1	124.6230	0.000	1	124.0525	0.631	130	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	124.4870	0.119	3	124.7255	0.237	4	124.0525	0.631	130	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	125.4410	0.000	1	124.7255	0.237	4	124.0525	0.631	130	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]N[5])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]N[5])(H){1|H<1>,2|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	124.4810	0.000	1	124.4810	0.000	1	124.0525	0.631	130	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]Br)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|Br<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]Br)(N[5a]C[5a]){2|C<3>,2|H<1>}	125.6000	0.000	1	125.6000	0.000	1	124.0525	0.631	130	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	124.6330	0.000	1	124.4988	0.112	5	124.0525	0.631	130	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	124.6455	0.515	2	124.4988	0.112	5	124.0525	0.631	130	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	124.2850	0.177	2	124.4988	0.112	5	124.0525	0.631	130	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(H){1|B<3>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){2|C<3>,2|H<1>}	122.4708	0.167	4	122.4708	0.028	4	121.9743	0.297	233	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|B<3>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|B<3>,1|C<3>,2|H<1>}	122.0516	0.335	9	121.9616	0.295	228	121.9743	0.297	233	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|B<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|B<3>,2|C<3>,2|H<1>}	121.3397	0.213	4	121.9616	0.295	228	121.9743	0.297	233	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|B<4>,1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|B<4>,1|C<3>,1|N<3>,2|H<1>}	121.2650	0.218	2	121.9616	0.295	228	121.9743	0.297	233	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|B<4>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|B<4>,1|C<3>,2|H<1>}	122.1438	0.230	6	121.9616	0.295	228	121.9743	0.297	233	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|Br<1>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|Br<1>,1|C<3>,2|H<1>}	122.1870	0.000	1	121.9616	0.295	228	121.9743	0.297	233	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|C<2>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|C<2>,1|C<3>,2|H<1>}	122.0075	0.467	2	121.9616	0.295	228	121.9743	0.297	233	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.4426	0.255	10	121.9616	0.295	228	121.9743	0.297	233	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|C<3>,1|C<4>,2|H<1>}	122.2666	0.173	10	121.9616	0.295	228	121.9743	0.297	233	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|C<3>,1|N<2>,2|H<1>}	122.2365	0.122	2	121.9616	0.295	228	121.9743	0.297	233	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|C<3>,1|N<3>,2|H<1>}	122.1420	0.151	7	121.9616	0.295	228	121.9743	0.297	233	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|C<3>,1|N<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|C<3>,1|N<4>,2|H<1>}	122.9578	0.309	4	121.9616	0.295	228	121.9743	0.297	233	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|C<3>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|C<3>,1|O<2>,2|H<1>}	122.5542	0.554	6	121.9616	0.295	228	121.9743	0.297	233	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|C<3>,1|P<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|C<3>,1|P<4>,2|H<1>}	122.8375	0.105	2	121.9616	0.295	228	121.9743	0.297	233	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|C<3>,2|H<1>,2|O<2>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|C<3>,2|H<1>,2|O<2>}	121.6425	0.091	2	121.9616	0.295	228	121.9743	0.297	233	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|Cl<1>,1|C<3>,1|N<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|Cl<1>,1|C<3>,1|N<4>,2|H<1>}	121.8650	0.051	2	121.9616	0.295	228	121.9743	0.297	233	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|Cl<1>,1|C<3>,1|P<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|Cl<1>,1|C<3>,1|P<4>,2|H<1>}	121.5761	0.893	10	121.9616	0.295	228	121.9743	0.297	233	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|Cl<1>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|Cl<1>,1|C<3>,2|H<1>}	122.1680	0.000	1	121.9616	0.295	228	121.9743	0.297	233	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|Co<5>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|Co<5>,1|C<3>,2|H<1>}	122.1552	0.205	4	121.9616	0.295	228	121.9743	0.297	233	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|Fe<9>,1|C<3>,2|H<1>,2|H<2>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<5>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|Fe<9>,1|C<3>,2|H<1>,2|H<2>}	121.6705	0.452	2	121.9616	0.295	228	121.9743	0.297	233	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|Ir<5>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|Ir<5>,1|C<3>,2|H<1>}	121.7645	0.305	4	121.9616	0.295	228	121.9743	0.297	233	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|N<3>,2|C<3>,2|H<1>}	121.4383	0.331	16	121.9616	0.295	228	121.9743	0.297	233	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|Ni<4>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|Ni<4>,1|C<3>,2|H<1>}	122.0700	0.374	4	121.9616	0.295	228	121.9743	0.297	233	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|O<2>,2|C<3>,2|H<1>}	121.2947	0.360	14	121.9616	0.295	228	121.9743	0.297	233	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|Os<5>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|Os<5>,1|C<3>,2|H<1>}	121.7655	0.196	2	121.9616	0.295	228	121.9743	0.297	233	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|Os<6>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|Os<6>,1|C<3>,2|H<1>}	122.1193	0.402	15	121.9616	0.295	228	121.9743	0.297	233	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|Os<7>,1|C<3>,2|H<1>,2|H<2>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<5>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|Os<7>,1|C<3>,2|H<1>,2|H<2>}	121.5315	0.473	2	121.9616	0.295	228	121.9743	0.297	233	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|Os<7>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|Os<7>,1|C<3>,2|H<1>}	121.8275	0.825	2	121.9616	0.295	228	121.9743	0.297	233	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|Pd<5>,1|C<3>,1|N<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|Pd<5>,1|C<3>,1|N<4>,2|H<1>}	122.7060	0.472	2	121.9616	0.295	228	121.9743	0.297	233	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|Pd<5>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|Pd<5>,1|C<3>,2|H<1>}	122.1845	0.132	2	121.9616	0.295	228	121.9743	0.297	233	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|Pt<4>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|Pt<4>,1|C<3>,2|H<1>}	122.0905	0.250	13	121.9616	0.295	228	121.9743	0.297	233	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|Rh<5>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|Rh<5>,1|C<3>,2|H<1>}	121.9969	0.296	10	121.9616	0.295	228	121.9743	0.297	233	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|Ru<6>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|Ru<6>,1|C<3>,2|H<1>}	122.1430	0.619	8	121.9616	0.295	228	121.9743	0.297	233	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|Ru<8>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|Ru<8>,1|C<3>,2|H<1>}	122.0102	0.842	4	121.9616	0.295	228	121.9743	0.297	233	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|Si<3>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|Si<3>,1|C<3>,2|H<1>}	122.2485	0.320	2	121.9616	0.295	228	121.9743	0.297	233	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|C<4>,1|H<1>,2|C<3>}	121.0770	0.113	4	121.9616	0.295	228	121.9743	0.297	233	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){2|C<3>,2|H<1>}	122.2656	0.341	38	121.9616	0.295	228	121.9743	0.297	233	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|O<1>,2|H<1>}	122.8900	0.000	1	122.8900	0.000	1	121.9743	0.297	233	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|O<1>,2|H<1>}	123.3880	0.746	3	123.3880	0.556	3	123.3880	0.556	3	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]S)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|S<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]S)(H){1|N<2>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(N[5a]C[5a]){2|H<1>,4|C<3>}	123.9355	0.282	2	123.9355	0.080	2	123.9355	0.080	2	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:N[5,6a]-3:O-1:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[6a]N[5,6a]O)(O[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[5,6a]C[5,6a]C[5])(O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(N[6a]C[5,6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[6a]N[5,6a]O)(O[5a]C[5a,6a]){1|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[5,6a]C[5,6a]C[5])(O){1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(N[6a]C[5,6a]){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	123.5030	0.000	1	123.5030	0.000	1	123.5030	0.000	1	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5,6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]Cl)(S[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]N[5])(Cl)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]Cl)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]Cl)(S[5a]S[5a]){1|Cl<1>,1|C<3>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]N[5])(Cl){1|C<3>,1|N<2>,3|S<2>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]Cl)(N[5a]S[5a]){1|Cl<1>,1|C<3>,1|S<2>}	121.6770	0.000	1	121.6770	0.000	1	121.6770	0.000	1	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(S[5a]C[5a]){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]){1|H<1>,1|O<2>,2|C<3>}	122.4360	0.526	2	122.4360	0.277	2	122.4360	0.277	2	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]H)(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]S[5])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]H)(S[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]H)(S[5a]N[5a]){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]S[5])(H){1|C<3>,2|N<2>,2|S<2>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]H)(S[5a]N[5a]){1|C<3>,1|H<1>,1|S<2>}	121.9440	0.625	2	121.9440	0.391	2	121.9440	0.391	2	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(H){1|N<2>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	122.4243	0.358	3	122.4061	0.078	7	122.4061	0.078	7	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(S[5a]C[5a]){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(H){1|N<2>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]){1|C<3>,1|S<2>,2|H<1>}	122.2990	0.000	1	122.4061	0.078	7	122.4061	0.078	7	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(S[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(H){1|N<2>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]){1|H<1>,1|S<2>,2|C<3>}	122.4237	0.313	3	122.4061	0.078	7	122.4061	0.078	7	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(S[5a]B[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])2(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(S[5a]B[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(S[5a]B[5a]){1|Br<1>,1|C<3>,1|H<1>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]S[5a])2(H){1|C<3>,2|B<3>,2|S<2>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(S[5a]B[5a]){1|Br<1>,1|C<3>,1|H<1>,1|S<2>}	120.8715	0.274	2	120.8715	0.075	2	120.8715	0.075	2	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]O)(S[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])2(O)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]O)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]O)(S[5a]S[5a]){1|C<3>,1|O<1>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]S[5a])2(O){1|C<3>,2|N<2>,2|S<2>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]O)(N[5a]S[5a]){1|C<3>,1|N<2>,1|O<1>}	126.3335	0.972	2	126.3335	0.945	2	126.3335	0.945	2	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]O)(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])2(O)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]O)(S[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]O)(S[5a]N[5a]){1|C<3>,1|O<1>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]S[5a])2(O){1|C<3>,2|N<2>,2|S<2>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]O)(S[5a]N[5a]){1|C<3>,1|O<1>,1|S<2>}	123.5590	0.045	2	123.5590	0.002	2	123.5590	0.002	2	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6,6a]C[6,6a]N[6])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6,6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)(S[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6,6a]C[6,6a]N[6])(H){3|C<3>,3|N<2>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6,6a]H)(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	122.7070	0.000	2	122.7070	0.000	2	122.7070	0.000	2	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:Br-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]Br)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]O)(Br)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]Br)(S[5a]C[5a]){1|Br<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]O)(Br){1|N<2>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(N[5a]C[5a]){2|Br<1>,1|H<1>,3|C<3>}	122.0500	0.000	1	122.0500	0.000	1	122.0500	0.000	1	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5,6a]N[5a])(C[6a]C[6a]H)(S[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5,6a]C)(H)	C[5a,6a](C[5,6a]C[5,6a]S[5])(C[5a,6a]C[6a]S[5a])(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[5,6a]N[5a])(C[6a]C[6a]H)(S[5a]S[5a]){1|C<3>,1|C<4>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5,6a]C)(H){1|C<3>,1|S<2>,2|N<2>}	C[5a,6a](C[5,6a]C[5,6a]S[5])(C[5a,6a]C[6a]S[5a])(N[5a]S[5a]){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	122.9940	0.000	1	122.9940	0.000	1	122.9940	0.000	1	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5,6a]S[5a])(C[6a]C[6a]H)(S[5a]B[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5,6a]H)(H)	C[5a,6a](C[5,6a]C[5,6a]S[5])(C[5a,6a]C[6a]S[5a])(S[5a]B[5a])	C[5a,6a](C[5a,6a]C[5,6a]S[5a])(C[6a]C[6a]H)(S[5a]B[5a]){1|Br<1>,1|C<3>,1|H<1>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5,6a]H)(H){1|B<3>,1|C<3>,1|S<2>,1|S<3>}	C[5a,6a](C[5,6a]C[5,6a]S[5])(C[5a,6a]C[6a]S[5a])(S[5a]B[5a]){1|Br<1>,1|B<4>,1|C<3>,1|H<1>,1|S<3>}	120.9750	0.000	1	120.9750	0.000	1	120.9750	0.000	1	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|Br<1>,1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	121.5810	0.685	4	121.6306	0.282	8	121.5128	0.442	524	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|Br<1>,1|C<3>,1|H<1>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|S<2>,2|H<1>}	121.3060	0.000	1	121.6306	0.282	8	121.5128	0.442	524	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|Br<1>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	121.8050	0.424	3	121.6306	0.282	8	121.5128	0.442	524	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)(H){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	120.3950	0.000	1	121.4650	0.216	15	121.5128	0.442	524	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	121.7020	0.383	8	121.4650	0.216	15	121.5128	0.442	524	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	121.3540	0.310	4	121.4650	0.216	15	121.5128	0.442	524	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	121.2820	0.000	1	121.4650	0.216	15	121.5128	0.442	524	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,3|H<1>}	121.2660	0.000	1	121.4650	0.216	15	121.5128	0.442	524	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,2|H<1>}	121.4085	0.040	2	121.8382	0.143	10	121.5128	0.442	524	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	121.8913	0.332	7	121.8382	0.143	10	121.5128	0.442	524	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|Cl<1>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	122.3260	0.000	1	121.8382	0.143	10	121.5128	0.442	524	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|F<1>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]F)(H){1|Cl<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	121.9220	0.000	1	121.9133	0.418	11	121.5128	0.442	524	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|F<1>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]F)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	121.7900	0.609	8	121.9133	0.418	11	121.5128	0.442	524	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|F<1>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]F)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	122.4020	0.990	2	121.9133	0.418	11	121.5128	0.442	524	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	122.1060	0.000	1	122.1060	0.000	1	121.5128	0.442	524	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	121.6247	1.118	9	121.6771	0.921	12	121.5128	0.442	524	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(N[5a]C[5a]){2|C<3>,2|H<1>}	121.7630	0.000	1	121.6771	0.921	12	121.5128	0.442	524	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(N[5a]C[5a]){2|C<3>,2|H<1>}	121.8700	0.161	2	121.6771	0.921	12	121.5128	0.442	524	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]Cl)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]Cl)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	122.0033	0.191	3	122.0033	0.036	3	121.5128	0.442	524	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|B<6>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|B<6>,1|C<3>,2|H<1>}	121.4555	0.073	2	121.3773	0.370	395	121.5128	0.442	524	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<2>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<2>,1|C<3>,2|H<1>}	120.9850	0.000	1	121.3773	0.370	395	121.5128	0.442	524	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	121.2728	0.884	46	121.3773	0.370	395	121.5128	0.442	524	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<6>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<6>,2|H<1>}	121.3910	0.000	1	121.3773	0.370	395	121.5128	0.442	524	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,2|H<1>}	121.3689	0.431	19	121.3773	0.370	395	121.5128	0.442	524	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	121.4975	0.495	67	121.3773	0.370	395	121.5128	0.442	524	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|N<2>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	121.0807	0.134	3	121.3773	0.370	395	121.5128	0.442	524	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|O<2>,2|H<1>}	121.7604	0.352	5	121.3773	0.370	395	121.5128	0.442	524	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|P<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|P<2>,2|H<1>}	121.2590	0.000	1	121.3773	0.370	395	121.5128	0.442	524	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|P<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|P<3>,2|H<1>}	121.3875	0.209	2	121.3773	0.370	395	121.5128	0.442	524	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|P<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|P<4>,2|H<1>}	120.9556	0.856	7	121.3773	0.370	395	121.5128	0.442	524	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|S<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|S<1>,2|H<1>}	121.1050	1.071	2	121.3773	0.370	395	121.5128	0.442	524	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|S<2>,2|H<1>}	121.6702	0.705	39	121.3773	0.370	395	121.5128	0.442	524	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|S<4>,2|H<1>}	121.4010	0.320	10	121.3773	0.370	395	121.5128	0.442	524	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,3|H<1>}	121.0420	0.000	1	121.3773	0.370	395	121.5128	0.442	524	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|H<1>,2|C<3>}	121.1405	0.236	4	121.3773	0.370	395	121.5128	0.442	524	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	121.3196	0.554	185	121.3773	0.370	395	121.5128	0.442	524	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]I)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|H<1>,1|I<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]I)(N[5a]C[5a]){1|C<3>,1|H<1>,2|N<3>}	121.5360	0.253	2	121.5360	0.064	2	121.5128	0.442	524	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]N)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|H<1>,2|N<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	123.7050	0.000	1	123.7050	0.000	1	121.5128	0.442	524	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]O)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]O)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	122.2801	0.767	15	122.2801	0.588	15	121.5128	0.442	524	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]I)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|I<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]I)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	122.2250	0.000	1	122.2250	0.000	1	121.5128	0.442	524	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|H<1>,2|N<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	121.7870	0.419	4	121.7775	0.225	6	121.5128	0.442	524	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,3|H<1>}	121.2110	0.000	1	121.7775	0.225	6	121.5128	0.442	524	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]N)(H){1|N<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,1|S<2>,2|C<3>}	122.3060	0.000	1	121.7775	0.225	6	121.5128	0.442	524	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]N[6a])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]N[6a])(H){1|H<1>,1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,3|H<1>}	121.6640	0.723	2	121.6640	0.522	2	121.5128	0.442	524	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	122.5180	0.279	2	122.1596	0.283	37	121.5128	0.442	524	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,2|H<1>}	121.9002	0.896	4	122.1596	0.283	37	121.5128	0.442	524	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	122.2275	0.513	20	122.1596	0.283	37	121.5128	0.442	524	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	122.0654	0.446	11	122.1596	0.283	37	121.5128	0.442	524	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]S)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|H<1>,1|N<2>,1|S<4>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]S)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,2|H<1>}	123.0200	0.000	1	121.7802	0.679	5	121.5128	0.442	524	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]S)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|H<1>,1|N<3>,1|S<4>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]S)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	121.6590	0.428	3	121.7802	0.679	5	121.5128	0.442	524	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]S)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|H<1>,1|S<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]S)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	120.9040	0.000	1	121.7802	0.679	5	121.5128	0.442	524	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){2|C<3>,2|O<2>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	119.7837	0.524	3	119.7837	0.274	3	119.7837	0.274	3	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(S[5a]As[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(S[5a]As[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(S[5a]As[5a]){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)(H){1|As<3>,1|C<3>,1|H<1>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(S[5a]As[5a]){1|Cl<1>,1|C<3>,2|H<1>}	120.0887	0.448	3	120.0887	0.201	3	120.2636	0.597	28	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(S[5a]As[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(S[5a]As[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(S[5a]As[5a]){1|Cl<1>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|As<3>,1|C<3>,1|C<4>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(S[5a]As[5a]){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	119.1307	0.309	3	119.1307	0.095	3	120.2636	0.597	28	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(S[5a]B[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(S[5a]B[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(S[5a]B[5a]){1|B<3>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(S[5a]B[5a]){1|B<3>,1|C<3>,2|H<1>}	120.2028	0.156	4	120.2028	0.024	4	120.2636	0.597	28	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(S[5a]B[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]S)(S[5a]B[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(S[5a]B[5a]){1|Br<1>,1|C<3>,1|H<1>,1|S<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]S)(S[5a]B[5a]){1|Br<1>,1|C<3>,2|H<1>}	120.4020	0.000	1	120.4020	0.000	1	120.2636	0.597	28	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<2>,1|C<3>,1|H<1>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(S[5a]C[5a]){1|C<3>,1|O<1>,2|H<1>}	120.3850	0.000	1	120.3850	0.000	1	120.2636	0.597	28	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H){1|O<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|H<1>,1|O<2>,2|C<3>}	120.7670	0.454	2	120.7202	0.156	4	120.2636	0.597	28	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H){1|O<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|H<1>,1|O<1>,2|C<3>}	120.6735	0.504	2	120.7202	0.156	4	120.2636	0.597	28	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]S)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|H<1>,1|O<1>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]S)(H){2|C<3>,2|S<2>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|H<1>,1|O<1>,1|S<2>}	120.4370	0.944	12	120.4370	0.891	12	120.2636	0.597	28	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]H)(H){1|N<2>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(N[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	123.1380	0.011	2	123.1380	0.000	2	123.1380	0.000	2	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]O)(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]O)(S[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]O)(S[5a]N[5a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]O)(S[5a]N[5a]){1|C<3>,1|H<1>,1|O<1>}	121.0830	0.000	1	121.0830	0.000	1	121.0830	0.000	1	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:N[5,6a]-3:O-1:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[6a]N[5,6a]O)(S[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[5,6a]C[5,6a]C[5])(O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(N[6a]C[5,6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[6a]N[5,6a]O)(S[5a]C[5a,6a]){1|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[5,6a]C[5,6a]C[5])(O){1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(N[6a]C[5,6a]){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	122.0920	0.000	1	122.0920	0.000	1	122.0920	0.000	1	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]O)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]N)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]O)(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]C)(O){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]N)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	121.2180	0.000	1	121.2180	0.000	1	121.2180	0.000	1	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|H<1>,1|O<2>,2|N<3>,2|O<1>}	118.7190	0.000	1	118.7190	0.000	1	118.7190	0.000	1	120.9768	2.229	2009	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]C[6a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]C[6a])(N[5a]C[5a]C){2|H<1>,4|C<3>}	121.5080	0.000	1	121.5080	0.000	1	121.0610	0.235	4	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(H){1|Co<4>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	120.6535	0.193	2	120.6535	0.037	2	121.0610	0.235	4	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5,5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5,5])(H){1|N<2>,1|N<3>,2|C<3>,3|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]N[5a]H){1|C<3>,1|C<4>,1|H<1>}	121.4290	0.000	1	121.4290	0.000	1	121.0610	0.235	4	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])2(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	121.7200	0.000	1	121.6710	0.083	3	121.8170	0.141	4	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])2(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]H){1|H<1>,1|N<2>,2|C<3>}	121.6465	0.404	2	121.6710	0.083	3	121.8170	0.141	4	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]Ru)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])2(H){1|Ru<6>,1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]Ru){1|H<1>,1|N<2>,2|C<3>}	122.2550	0.000	1	122.2550	0.000	1	121.8170	0.141	4	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6,6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)(N[5a]C[5a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(H){2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6,6a]H){1|H<1>,1|N<3>,4|C<3>}	119.1010	0.000	1	119.1010	0.000	1	119.1010	0.000	1	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a]H){2|C<3>,2|H<1>}	120.2035	0.197	2	120.0530	0.087	3	120.2520	0.217	4	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a]H){1|H<1>,3|C<3>}	119.7520	0.000	1	120.0530	0.087	3	120.2520	0.217	4	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(H){1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a]H){1|H<1>,1|N<2>,2|C<3>}	120.8490	0.000	1	120.8490	0.000	1	120.2520	0.217	4	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a,6a]H){1|C<4>,1|H<1>,4|C<3>}	120.1700	0.000	1	120.1700	0.000	1	120.1700	0.000	1	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]C[5a]){1|Br<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]C[5a]H){1|Br<1>,1|H<1>,2|C<3>}	118.7400	0.000	1	118.7400	0.000	1	118.7689	0.119	7	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|Br<1>,1|H<1>,2|C<3>}	118.8175	0.545	2	118.8175	0.297	2	118.7689	0.119	7	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br){1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<4>,2|C<3>}	118.7518	0.369	4	118.7518	0.136	4	118.7689	0.119	7	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]Br)(N[5a]C[5a,6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]Br)(N[5a]C[5a,6]){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br){1|Br<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|Br<1>,1|C<3>,2|C<4>,2|H<1>}	118.7310	0.000	1	118.7310	0.000	1	118.7310	0.000	1	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(N[5a]C[5a]){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(N[5a]C[5a]C){2|Cl<1>,1|C<3>,1|H<1>}	120.4350	0.000	1	120.4350	0.000	1	120.0503	0.086	4	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(N[5a]C[5a]){2|Cl<1>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(N[5a]C[5a]H){2|Cl<1>,1|C<3>,1|H<1>}	119.9220	0.173	3	119.9220	0.030	3	120.0503	0.086	4	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]Cl)(N[5a]C[5a,6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]Cl)(N[5a]C[5a,6]){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(Cl){1|Cl<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	119.6170	0.000	1	119.6170	0.000	1	119.6170	0.000	1	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]F)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]N[5a]){1|B<4>,2|C<3>,2|F<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F){1|F<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]F){1|B<4>,2|F<1>,3|C<3>}	119.6783	0.182	3	119.6783	0.033	3	119.2995	0.596	4	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]O[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(F)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]O[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]O[5a]){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(F){1|Cl<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]O[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|F<1>}	118.1630	0.000	1	118.1630	0.000	1	119.2995	0.596	4	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a]){1|C<3>,2|F<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F){1|F<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a]H){1|C<3>,1|H<1>,2|F<1>}	119.4625	0.634	2	119.6994	0.093	7	119.6994	0.093	7	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a]){1|H<1>,2|C<3>,2|F<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F){1|F<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a]H){2|C<3>,2|F<1>}	119.7942	0.000	5	119.6994	0.093	7	119.6994	0.093	7	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]F)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a]){1|C<4>,2|C<3>,2|F<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F){1|F<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]F){1|C<4>,2|F<1>,3|C<3>}	119.2870	0.000	1	119.2870	0.000	1	119.2870	0.000	1	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H){1|C<3>,1|N<2>,1|N<3>,1|S<2>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C){1|S<2>,2|C<3>,2|H<1>}	121.9540	0.158	2	121.9540	0.025	2	121.9540	0.025	2	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	121.4880	0.000	1	121.4880	0.000	1	120.7919	0.575	72	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	120.1580	0.000	1	120.1580	0.000	1	120.7919	0.575	72	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]I)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,1|I<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]I)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	120.4930	0.000	1	120.4930	0.000	1	120.7919	0.575	72	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	121.6470	0.000	1	121.0760	0.652	2	120.7919	0.575	72	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	120.5050	0.000	1	121.0760	0.652	2	120.7919	0.575	72	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	121.5460	0.000	1	120.6450	0.385	10	120.7919	0.575	72	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<2>,1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	120.2670	0.000	1	120.6450	0.385	10	120.7919	0.575	72	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|N<3>}	120.3900	0.000	1	120.6450	0.385	10	120.7919	0.575	72	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|F<1>,1|H<1>,2|C<3>}	120.6780	0.000	1	120.6450	0.385	10	120.7919	0.575	72	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	119.5490	0.000	1	120.6450	0.385	10	120.7919	0.575	72	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>}	119.8990	0.000	1	120.6450	0.385	10	120.7919	0.575	72	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	121.0302	0.177	4	120.6450	0.385	10	120.7919	0.575	72	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	120.5513	0.369	11	120.7007	0.273	30	120.7919	0.575	72	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|Os<9>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|Os<9>,1|C<3>,2|H<1>}	121.2000	0.000	1	120.7007	0.273	30	120.7919	0.575	72	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|Ru<6>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|Ru<6>,1|C<3>,2|H<1>}	122.6000	0.000	1	120.7007	0.273	30	120.7919	0.575	72	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	120.6563	0.388	17	120.7007	0.273	30	120.7919	0.575	72	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,2|H<1>}	121.5317	0.594	3	121.5317	0.352	3	120.7919	0.575	72	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	121.4390	0.000	1	121.4390	0.000	1	120.7919	0.575	72	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>}	120.3760	0.000	1	120.9720	0.710	2	120.7919	0.575	72	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]H){2|C<3>,2|H<1>}	121.5680	0.000	1	120.9720	0.710	2	120.7919	0.575	72	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]P)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|P<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]P)(C[6a]C[6a]H){2|C<3>,2|H<1>}	120.7550	0.000	1	120.7550	0.000	1	120.7919	0.575	72	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Se)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|Se<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Se)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,2|C<3>}	120.3420	0.000	1	120.3420	0.000	1	120.7919	0.575	72	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	120.3780	0.000	1	120.3780	0.000	1	120.7919	0.575	72	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	120.5140	0.000	1	120.5140	0.000	1	120.7919	0.575	72	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	121.3165	0.428	6	121.3165	0.183	6	120.7919	0.575	72	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|O<1>,2|C<3>,2|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(H){1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]N[6a]O){2|C<3>,2|H<1>}	119.0705	0.677	2	119.0705	0.458	2	120.7919	0.575	72	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<4>,1|O<1>,1|S<4>,2|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]N[6a]O){1|C<3>,1|S<4>,2|H<1>}	119.0430	0.000	1	119.0430	0.000	1	120.7919	0.575	72	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]O[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]O[5a]N)(C[6a]C[6a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]O[5a]){2|C<3>,2|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]O[5a]N)(C[6a]C[6a]N){1|C<3>,2|H<1>}	121.2385	0.432	2	121.2385	0.187	2	120.7919	0.575	72	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]O[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]O[5a]){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O[5a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	120.6210	0.000	1	120.6210	0.000	1	120.7919	0.575	72	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]O[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]O[5a]){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.3090	0.000	1	121.5510	2.747	4	120.7919	0.575	72	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]O[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]O[5a]){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|I<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]O[5a])(C[6a]C[6a]H){1|H<1>,1|I<1>,3|C<3>}	122.4565	2.176	2	121.5510	2.747	4	120.7919	0.575	72	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]O[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]O[5a]){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]O[5a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	120.9820	0.000	1	121.5510	2.747	4	120.7919	0.575	72	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]O[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]O[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]O[5a]){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]O[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	120.9040	0.000	1	120.9040	0.000	1	120.7919	0.575	72	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H){2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]C){1|N<3>,2|C<3>,3|H<1>}	120.2810	0.000	1	120.2810	0.000	1	119.8251	0.361	17	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]Co)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Co<5>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]Co){1|H<1>,1|O<2>,4|C<3>}	120.2620	0.000	1	119.0890	1.275	3	119.8251	0.361	17	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]Co)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Co<6>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]Co){1|H<1>,1|O<2>,4|C<3>}	118.5025	0.698	2	119.0890	1.275	3	119.8251	0.361	17	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H){2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|N<3>,3|C<3>,3|H<1>}	120.0950	0.031	2	119.9598	0.097	13	119.8251	0.361	17	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	120.0990	0.000	1	119.9598	0.097	13	119.8251	0.361	17	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	119.8713	0.416	4	119.9598	0.097	13	119.8251	0.361	17	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H){1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	120.0260	0.000	1	119.9598	0.097	13	119.8251	0.361	17	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|H<1>,1|O<1>,4|C<3>}	119.9356	0.370	5	119.9598	0.097	13	119.8251	0.361	17	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(C[5a]N[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	120.5780	0.000	1	120.5780	0.000	1	120.5780	0.000	1	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a]C[6a])(H){1|H<1>,1|N<2>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,2|H<1>}	120.3440	0.000	1	120.3440	0.000	1	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<3>,1|C<4>,2|H<1>}	120.3270	0.000	1	120.3270	0.000	1	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<2>,2|H<1>,3|C<3>}	119.8920	0.824	2	120.7140	1.130	4	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<2>,2|C<3>,3|H<1>}	121.5360	0.083	2	120.7140	1.130	4	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	119.3420	0.000	1	120.0813	0.277	53	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>,2|C<4>}	119.7750	0.000	1	120.0813	0.277	53	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	119.8491	0.474	9	120.0813	0.277	53	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<2>,2|H<1>}	120.0495	0.207	4	120.0813	0.277	53	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,2|H<1>}	120.1927	0.367	3	120.0813	0.277	53	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	120.3241	0.482	23	120.0813	0.277	53	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	119.4140	0.378	6	120.0813	0.277	53	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	120.4290	0.446	3	120.0813	0.277	53	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	120.1823	0.445	3	120.0813	0.277	53	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	119.2620	0.649	3	119.8076	0.630	10	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,2|H<1>}	119.6163	0.671	3	119.8076	0.630	10	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	119.7770	0.400	2	119.8076	0.630	10	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,2|H<1>}	120.6430	0.000	1	119.8076	0.630	10	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,2|H<1>}	121.2440	0.000	1	119.8076	0.630	10	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Cl<1>,1|C<3>,2|H<1>}	120.3080	0.000	1	120.3847	0.015	3	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	120.5270	0.000	1	120.3847	0.015	3	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Cl<1>,1|C<3>,2|H<1>}	120.3190	0.000	1	120.3847	0.015	3	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	119.7780	0.000	1	119.7780	0.000	1	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|F<1>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H){1|F<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|F<1>,2|H<1>}	122.3270	0.000	1	120.9935	3.556	2	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|F<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H){2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>}	119.6600	0.000	1	120.9935	3.556	2	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]C[5a]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	119.8600	0.000	1	119.8600	0.000	1	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]C){1|C<3>,1|O<2>,2|H<1>}	120.6467	0.804	6	120.6467	0.646	6	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]H){2|C<3>,2|H<1>}	120.1890	0.478	3	120.1890	0.229	3	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|C<4>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	119.7300	0.000	1	119.5883	0.040	3	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<3>,2|C<3>,3|H<1>}	119.5175	0.226	2	119.5883	0.040	3	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|I<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|I<1>,2|H<1>}	119.8960	0.000	1	120.0783	0.404	304	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<2>,2|H<1>}	119.1510	0.000	1	120.0783	0.404	304	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,2|H<1>}	119.9627	0.549	3	120.0783	0.404	304	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	120.1570	0.000	1	120.0783	0.404	304	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|P<4>,2|H<1>}	119.9630	0.000	1	120.0783	0.404	304	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	119.4376	1.075	9	120.0783	0.404	304	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	120.3230	0.331	2	120.0783	0.404	304	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,3|H<1>}	119.9354	0.505	76	120.0783	0.404	304	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<2>,2|H<1>}	119.4750	0.000	1	120.0783	0.404	304	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,2|H<1>}	120.1255	0.452	4	120.0783	0.404	304	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	120.0411	0.573	59	120.0783	0.404	304	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<2>,1|H<1>,2|C<3>}	120.0660	0.107	2	120.0783	0.404	304	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	119.6172	0.266	4	120.0783	0.404	304	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	120.1997	0.665	109	120.0783	0.404	304	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Cl<1>,1|C<3>,2|H<1>}	120.0905	0.138	4	120.0783	0.404	304	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,2|H<1>}	119.3215	0.650	2	120.0783	0.404	304	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	121.4270	0.000	1	120.0783	0.404	304	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Se<2>,1|C<3>,2|H<1>}	120.7357	1.074	6	120.0783	0.404	304	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Si<4>,1|C<3>,2|H<1>}	120.6533	0.378	6	120.0783	0.404	304	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,3|H<1>}	120.1006	0.321	8	120.0783	0.404	304	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	120.4308	0.506	4	120.0783	0.404	304	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>,2|C<4>}	119.4260	0.000	1	120.1406	0.459	338	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,2|H<1>}	120.2478	0.772	110	120.1406	0.459	338	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	119.4735	0.360	6	120.1406	0.459	338	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>}	120.0023	0.473	38	120.1406	0.459	338	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	119.4380	0.000	1	120.1406	0.459	338	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	119.0600	0.615	3	120.1406	0.459	338	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>}	119.6540	0.000	1	120.1406	0.459	338	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|S<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	119.3900	0.000	1	120.1406	0.459	338	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|S<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|S<2>,2|H<1>}	120.2513	0.701	12	120.1406	0.459	338	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|S<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>,1|O<2>,1|S<2>}	119.3970	0.000	1	120.1406	0.459	338	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|S<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|S<3>,2|H<1>}	120.5195	0.541	2	120.1406	0.459	338	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|S<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>,1|O<2>,1|S<3>}	119.8450	0.000	2	120.1406	0.459	338	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,3|H<1>}	120.2317	0.616	12	120.1406	0.459	338	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,2|H<1>}	120.1592	0.634	144	120.1406	0.459	338	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|H<1>,1|O<2>,2|C<3>}	119.5080	0.000	1	120.1406	0.459	338	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|H<1>,3|C<3>}	119.6130	0.000	1	120.1406	0.459	338	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>}	120.1300	0.839	2	120.1406	0.459	338	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]N){1|C<3>,1|N<3>,2|H<1>}	120.3740	0.000	1	120.1470	0.103	2	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]N){1|Cl<1>,1|H<1>,2|C<3>}	119.9200	0.000	1	120.1470	0.103	2	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]P)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|P<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]P){1|C<3>,1|C<4>,2|H<1>}	120.2262	0.402	5	120.2828	0.148	6	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]P)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,1|P<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]P){1|C<3>,1|N<3>,2|H<1>}	120.5660	0.000	1	120.2828	0.148	6	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	119.8660	0.000	1	119.7146	0.035	5	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	119.8020	0.000	1	119.7146	0.035	5	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|N<3>,2|H<1>}	119.5140	0.045	2	119.7146	0.035	5	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S){2|C<3>,2|H<1>}	119.8770	0.000	1	119.7146	0.035	5	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[5a])(N[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[5a])(N[5a]C[5a]C[6a]){2|H<1>,6|C<3>}	120.3930	0.000	1	120.3930	0.000	1	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,3|H<1>}	120.0040	0.299	3	120.0040	0.090	3	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,2|H<1>}	120.5100	0.413	2	120.3688	0.147	6	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	119.6900	0.000	1	120.3688	0.147	6	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,3|H<1>}	120.5275	0.083	2	120.3688	0.147	6	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,2|H<1>}	120.4480	0.000	1	120.3688	0.147	6	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,3|H<1>}	120.3580	0.000	1	120.3060	0.005	2	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S){2|C<3>,2|H<1>}	120.2540	0.000	1	120.3060	0.005	2	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6])(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,2|H<1>}	120.6340	0.000	1	120.6340	0.000	1	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<2>,1|S<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|S<3>,2|H<1>}	120.9770	0.000	1	120.5110	0.434	2	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	120.0450	0.000	1	120.5110	0.434	2	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	120.2730	0.367	4	120.2730	0.135	4	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|C<4>,1|H<1>}	120.1550	0.000	1	120.1550	0.000	1	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]2){1|N<2>,2|C<3>,2|H<1>}	121.0115	0.320	2	121.0115	0.103	2	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|C<4>,1|H<1>}	120.1500	0.000	1	120.6749	0.265	175	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	120.5772	0.472	144	120.6749	0.265	175	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	121.1611	0.432	30	120.6749	0.265	175	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|C<3>,2|H<1>}	120.7575	0.523	18	120.7575	0.274	18	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]O){1|C<3>,2|H<1>}	120.1104	0.323	12	120.1104	0.104	12	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]S){1|C<3>,2|H<1>}	120.9595	0.080	4	120.9595	0.006	4	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]N[5a]H){1|C<3>,1|H<1>,1|N<3>}	121.1360	0.000	1	121.1360	0.000	1	120.2359	0.437	975	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	121.1240	0.342	2	121.1240	0.117	2	120.4448	0.844	201	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	120.0508	0.223	6	120.0508	0.050	6	120.4448	0.844	201	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Cu)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cu<5>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Cu)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>}	122.0640	0.000	1	122.0640	0.000	1	120.4448	0.844	201	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Ru)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Ru<6>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Ru)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	119.0230	0.000	1	119.0230	0.000	1	120.4448	0.844	201	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[3x6]C[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[3x6]C[5a])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	120.1660	0.000	1	120.1660	0.000	1	120.4448	0.844	201	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Ag)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Ag<2>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Ag)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	122.3600	0.000	1	122.3600	0.000	1	120.4448	0.844	201	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Al)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Al<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Al)(C[6a]C[6a]H){2|C<3>,2|H<1>}	119.8653	0.344	3	120.1658	0.440	4	120.4448	0.844	201	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Al)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Al<5>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Al)(C[6a]C[6a]H){2|C<3>,2|H<1>}	121.0670	0.000	1	120.1658	0.440	4	120.4448	0.844	201	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Au)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Au<2>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Au)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	118.8620	0.000	1	119.4215	0.626	2	120.4448	0.844	201	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Au)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Au<2>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Au)(C[6a]C[6a]H){1|C<3>,3|H<1>}	119.9810	0.000	1	119.4215	0.626	2	120.4448	0.844	201	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	119.4970	0.000	1	120.2972	0.353	5	120.4448	0.844	201	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,2|S<2>,4|H<1>}	119.8650	0.000	1	120.2972	0.353	5	120.4448	0.844	201	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	120.9330	0.000	1	120.2972	0.353	5	120.4448	0.844	201	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	120.6220	0.000	1	120.2972	0.353	5	120.4448	0.844	201	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.5690	0.000	1	120.2972	0.353	5	120.4448	0.844	201	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	119.3930	0.000	1	119.8435	0.406	2	120.4448	0.844	201	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Ru<8>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|Ru<8>,1|N<3>,2|C<3>,2|H<1>}	120.2940	0.000	1	119.8435	0.406	2	120.4448	0.844	201	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	119.5680	0.160	2	119.8670	0.214	77	120.4448	0.844	201	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	121.0390	0.000	1	119.8670	0.214	77	120.4448	0.844	201	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	119.6560	0.000	1	119.8670	0.214	77	120.4448	0.844	201	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	118.7930	0.000	1	119.8670	0.214	77	120.4448	0.844	201	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	118.6375	0.035	2	119.8670	0.214	77	120.4448	0.844	201	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	119.9627	0.353	20	119.8670	0.214	77	120.4448	0.844	201	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	119.9510	0.000	1	119.8670	0.214	77	120.4448	0.844	201	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	119.7340	0.000	1	119.8670	0.214	77	120.4448	0.844	201	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	119.7896	0.151	7	119.8670	0.214	77	120.4448	0.844	201	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	119.9220	0.437	40	119.8670	0.214	77	120.4448	0.844	201	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	119.5110	0.000	1	119.8670	0.214	77	120.4448	0.844	201	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Cd)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cd<6>,1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Cd)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>}	120.9580	0.000	1	120.9580	0.000	1	120.4448	0.844	201	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Co)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Co<5>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Co)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	121.9548	0.714	4	120.9442	0.865	11	120.4448	0.844	201	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Co)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Co<6>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Co)(C[6a]C[6a]H){2|C<3>,2|H<1>}	120.3667	0.343	7	120.9442	0.865	11	120.4448	0.844	201	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Cu)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cu<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Cu)(C[6a]C[6a]H){2|C<3>,2|H<1>}	120.4080	0.000	1	121.6426	0.624	16	120.4448	0.844	201	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Cu)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cu<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Cu)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	122.0455	0.531	2	121.6426	0.624	16	120.4448	0.844	201	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Cu)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cu<4>,1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Cu)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>}	122.3200	0.165	2	121.6426	0.624	16	120.4448	0.844	201	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Cu)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cu<4>,1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Cu)(C[6a]C[6a]H){1|C<3>,1|S<2>,2|H<1>}	122.6590	0.000	1	121.6426	0.624	16	120.4448	0.844	201	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Cu)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cu<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Cu)(C[6a]C[6a]H){2|C<3>,2|H<1>}	121.0845	0.638	4	121.6426	0.624	16	120.4448	0.844	201	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Cu)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cu<5>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Cu)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	121.9186	0.552	5	121.6426	0.624	16	120.4448	0.844	201	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Cu)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cu<5>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Cu)(C[6a]C[6a]H){2|C<3>,2|H<1>}	120.5530	0.000	1	121.6426	0.624	16	120.4448	0.844	201	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Fe)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Fe<5>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Fe)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	122.1343	0.866	3	121.6912	0.840	10	120.4448	0.844	201	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Fe)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Fe<6>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Fe)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	122.1743	0.317	3	121.6912	0.840	10	120.4448	0.844	201	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Fe)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Fe<6>,1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Fe)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>}	122.1590	0.000	1	121.6912	0.840	10	120.4448	0.844	201	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Fe)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Fe<6>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Fe)(C[6a]C[6a]H){2|C<3>,2|H<1>}	120.6090	0.647	3	121.6912	0.840	10	120.4448	0.844	201	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Ir)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Ir<6>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Ir)(C[6a]C[6a]H){2|C<3>,2|H<1>}	119.3787	0.529	3	119.7193	0.650	4	120.4448	0.844	201	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Ir)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Ir<8>,1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Ir)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>}	120.7410	0.000	1	119.7193	0.650	4	120.4448	0.844	201	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	119.2395	0.121	2	119.2395	0.015	2	120.4448	0.844	201	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Ni)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Ni<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Ni)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	120.8390	0.501	2	121.1975	0.732	4	120.4448	0.844	201	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Ni)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Ni<6>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Ni)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	120.7100	0.000	1	121.1975	0.732	4	120.4448	0.844	201	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Ni)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Ni<6>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Ni)(C[6a]C[6a]H){2|C<3>,2|H<1>}	122.4020	0.000	1	121.1975	0.732	4	120.4448	0.844	201	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Os)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Os<6>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Os)(C[6a]C[6a]H){2|C<3>,2|H<1>}	119.0045	1.221	2	119.0045	1.491	2	120.4448	0.844	201	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]P[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|P<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]P[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|N<2>,3|H<1>}	120.1577	0.440	4	120.1577	0.193	4	120.4448	0.844	201	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Re)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Re<6>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Re)(C[6a]C[6a]H){2|C<3>,2|H<1>}	120.4230	0.000	1	120.4230	0.000	1	120.4448	0.844	201	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Ru)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Ru<6>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Ru)(C[6a]C[6a]H){2|C<3>,2|H<1>}	120.5287	0.829	9	120.5530	0.616	10	120.4448	0.844	201	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Ru)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Ru<9>,1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Ru)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>}	120.7720	0.000	1	120.5530	0.616	10	120.4448	0.844	201	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Zn)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Zn<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Zn)(C[6a]C[6a]H){2|C<3>,2|H<1>}	122.0100	0.000	1	121.0872	0.709	5	120.4448	0.844	201	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Zn)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Zn<5>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Zn)(C[6a]C[6a]H){2|C<3>,2|H<1>}	120.9507	0.912	3	121.0872	0.709	5	120.4448	0.844	201	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Zn)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Zn<6>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Zn)(C[6a]C[6a]H){2|C<3>,2|H<1>}	120.5740	0.000	1	121.0872	0.709	5	120.4448	0.844	201	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	120.8220	0.000	1	121.0920	0.146	2	120.4448	0.844	201	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.3620	0.000	1	121.0920	0.146	2	120.4448	0.844	201	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.6770	0.000	1	120.6770	0.000	1	120.4448	0.844	201	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	120.6220	0.000	1	120.9860	0.404	5	120.4448	0.844	201	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	121.1220	0.000	1	120.9860	0.404	5	120.4448	0.844	201	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	120.0920	0.000	1	120.9860	0.404	5	120.4448	0.844	201	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	121.5470	0.195	2	120.9860	0.404	5	120.4448	0.844	201	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	121.1300	0.337	2	120.8548	0.283	9	120.4448	0.844	201	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.7761	0.571	7	120.8548	0.283	9	120.4448	0.844	201	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]I)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|H<1>,1|I<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]I){2|H<1>,3|C<3>}	121.8850	0.000	1	121.8850	0.000	1	120.4448	0.844	201	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.4570	0.420	2	120.9885	0.252	6	120.4448	0.844	201	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.4460	0.000	1	120.9885	0.252	6	120.4448	0.844	201	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	120.8860	0.000	1	120.9885	0.252	6	120.4448	0.844	201	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	121.1900	0.000	1	120.9885	0.252	6	120.4448	0.844	201	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	121.4950	0.000	1	120.9885	0.252	6	120.4448	0.844	201	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.6350	0.000	1	120.7053	0.065	4	120.4448	0.844	201	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	120.8420	0.335	2	120.7053	0.065	4	120.4448	0.844	201	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|H<1>}	120.5020	0.000	1	120.7053	0.065	4	120.4448	0.844	201	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]Cl)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|Cl<1>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]Cl)(C[6a]C[6a]H){1|C<3>,2|H<1>}	119.9660	0.000	1	119.9660	0.000	1	120.4448	0.844	201	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H){1|H<1>,1|N<2>,3|C<3>}	121.5630	0.000	1	121.5630	0.000	1	121.5630	0.000	1	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a]B[5x3,5x5,20x6]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|B<6>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a]B[5x3,5x5,20x6]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|C<6>,3|H<1>,4|B<6>}	120.5470	0.000	1	120.5470	0.000	1	120.5470	0.000	1	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:I-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]I)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(I)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]I)(N[5a]N[5a]){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(I){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|H<1>,1|I<1>,1|S<2>,2|C<3>}	120.8305	1.039	2	120.8305	1.079	2	120.4930	0.238	8	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:I-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]I)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(I)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]I)(N[5a]N[5a]){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(I){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|I<1>,3|C<3>}	120.3805	0.239	6	120.3805	0.057	6	120.4930	0.238	8	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]N[6a])(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)(N[5a]N[5a]){1|N<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]N[6a])(O){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a]){1|N<3>,1|O<1>,5|C<3>}	123.8135	0.351	2	123.8135	0.124	2	123.1027	1.578	3	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)(N[5a]O[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]N[6a])(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]O[5a]C)(C[6a]N[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)(N[5a]O[5a]){1|C<3>,1|N<2>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]N[6a])(O){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]O[5a]C)(C[6a]N[6a]C){1|N<3>,1|O<1>}	121.6810	0.000	1	121.6810	0.000	1	123.1027	1.578	3	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:N[6a]-3:	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]O)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]S[5a]C[5])(N[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]O)(N[5a]S[5a]){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]S[5a]C[5])(N[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	119.8905	0.716	2	119.8905	0.513	2	119.8905	0.513	2	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]O)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C[5])(C[5a]S[5a]H)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]O)(N[5a]S[5a]){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C[5])(C[5a]S[5a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	121.1370	0.000	1	121.1370	0.000	1	121.1370	0.000	1	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6,6,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6,6a]H)(N[5a]C[5a])	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a,6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6,6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6,6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a,6a]N[5a])(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6,6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,2|H<1>}	122.0350	0.000	1	122.0350	0.000	1	122.0350	0.000	1	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[5a,6a]C[5a,6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]O)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[5a,6a]C[5a,6a]O[5a])(H){1|H<1>,3|C<3>,3|C<4>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]O)(C[5a]C[5a]H){1|C<3>,1|C<4>,2|H<1>}	125.4555	0.231	2	125.4555	0.053	2	125.4555	0.053	2	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5,6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a]){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]C[5])(H){2|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5,6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	127.2580	0.000	1	127.2580	0.000	1	125.8290	1.533	3	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5,6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5,6a]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	125.0800	0.000	1	125.1145	0.002	2	125.8290	1.533	3	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5,6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a]){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5,6a]H){1|H<1>,1|O<2>,4|C<3>}	125.1490	0.000	1	125.1145	0.002	2	125.8290	1.533	3	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a]){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]C[5])(H){1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]O){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	125.2510	0.000	1	125.2510	0.000	1	125.1617	0.047	11	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]N){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	124.7120	0.000	1	124.7995	0.015	2	125.1617	0.047	11	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a]){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]N){1|H<1>,1|O<2>,2|C<3>}	124.8870	0.000	1	124.7995	0.015	2	125.1617	0.047	11	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<2>,1|S<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]S){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	124.9540	0.000	1	125.2411	0.020	8	125.1617	0.047	11	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<2>,1|S<4>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]S){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	125.2460	0.000	1	125.2411	0.020	8	125.1617	0.047	11	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a]){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]S){1|H<1>,1|O<2>,2|C<3>}	125.2882	0.091	6	125.2411	0.020	8	125.1617	0.047	11	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]C)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(O[5a]C[5a]){1|O<1>,2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]C[5])(H){1|O<1>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]C)(N[5a]C[5a]C){1|H<1>,1|O<1>,2|C<3>}	126.4070	0.000	1	126.4070	0.000	1	126.4070	0.000	1	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]Br)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(Br)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]C)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]Br)(O[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(Br){1|H<1>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]C)(C[5a]C[5a]H){1|Br<1>,1|C<3>,1|H<1>,1|O<2>}	122.9850	0.000	1	122.9850	0.000	1	122.9850	0.000	1	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a,6a]){1|C<4>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H){1|S<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]C){2|H<1>,4|C<3>}	125.3370	0.031	2	125.3370	0.001	2	124.9447	0.122	8	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a,6a]){1|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H){1|S<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]C[6a]){2|H<1>,6|C<3>}	124.7510	0.000	1	124.7510	0.000	1	124.9447	0.122	8	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a,6a]){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H){2|H<1>,4|C<3>}	125.2670	0.000	1	125.1670	0.020	2	124.9447	0.122	8	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a,6a]){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H){1|S<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H){2|H<1>,4|C<3>}	125.0670	0.000	1	125.1670	0.020	2	124.9447	0.122	8	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a,6a]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5a,6a]C[5a,6a]2)(H){1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H){1|N<3>,2|H<1>,3|C<3>}	124.5280	0.000	2	124.5997	0.015	3	124.9447	0.122	8	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a,6a]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5a,6a]C[5a,6a]2)(H){1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H){1|O<2>,2|H<1>,3|C<3>}	124.7430	0.000	1	124.5997	0.015	3	124.9447	0.122	8	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(H){1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5a,6a]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	125.7785	0.541	2	125.5289	0.423	11	125.5289	0.423	11	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(H){1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	124.6960	0.063	3	125.5289	0.423	11	125.5289	0.423	11	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a]){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(H){1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	125.7860	0.000	1	125.5289	0.423	11	125.5289	0.423	11	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(H){1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,1|O<2>,4|C<3>}	125.8774	0.513	5	125.5289	0.423	11	125.5289	0.423	11	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a]){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(H){1|O<2>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]S){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	125.3530	0.000	1	125.3530	0.000	1	125.3530	0.000	1	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6,6a]H)(O[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6,6a]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6,6a]H)(O[5a]C[5a,6a]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6,6a]C[6])(H){2|C<4>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6,6a]H){1|C<4>,2|H<1>,3|C<3>}	123.2270	0.000	1	123.6615	0.378	2	123.6615	0.378	2	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6,6a]H)(O[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6,6a]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6,6a]H)(O[5a]C[5a,6a]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6,6a]H){1|O<2>,2|H<1>,3|C<3>}	124.0960	0.000	1	123.6615	0.378	2	123.6615	0.378	2	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6,6a]H)(O[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6,6a]C[6])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6,6a]O)(C[5a]N[5a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6,6a]H)(O[5a]N[5a]){1|C<3>,1|C<4>,2|O<2>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6,6a]C[6])(H){1|N<2>,2|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6,6a]O)(C[5a]N[5a]O){1|H<1>,2|C<3>}	123.8000	0.000	1	123.8000	0.000	1	123.8000	0.000	1	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6,6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6,6a,6a]C[6])(H)	C[5a,6a](C[6a,6a]C[6,6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6,6a]H)(O[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6,6a,6a]C[6])(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[6a,6a]C[6,6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H){1|N<3>,2|C<3>,3|H<1>}	124.0940	0.000	1	124.0940	0.000	1	124.0940	0.000	1	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(O[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(O[5a]C[5a,6a]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H){1|H<1>,5|C<3>}	124.4960	0.000	1	124.4960	0.000	1	124.2673	1.009	3	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(O[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(O[5a]C[5a,6a]){5|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]C[6a]){2|H<1>,6|C<3>}	125.1380	0.000	1	125.1380	0.000	1	124.2673	1.009	3	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(O[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(O[5a]C[5a,6a]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H){2|H<1>,4|C<3>}	123.1680	0.000	1	123.1680	0.000	1	124.2673	1.009	3	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(O[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]C){1|H<1>,3|C<3>}	124.4740	0.000	1	124.4740	0.000	1	125.6870	0.568	5	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]O[6a])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]O)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(O[5a]C[5a]){1|C<3>,2|H<1>,2|O<2>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]O[6a])(H){5|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]O)(C[5a]C[5a]H){2|C<3>,2|H<1>}	125.9903	0.380	4	125.9903	0.144	4	125.6870	0.568	5	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Cl)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]Cl)(Cl)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Cl)(O[5a]C[5a]){1|Cl<1>,1|C<3>,1|N<3>,2|C<2>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]Cl)(Cl){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]C){1|Cl<1>,1|C<2>,1|C<3>,1|O<2>}	122.3260	0.000	1	122.3260	0.000	1	122.4975	0.059	2	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Cl)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(Cl)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Cl)(O[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(Cl){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|O<2>,2|C<3>}	122.6690	0.000	1	122.6690	0.000	1	122.4975	0.059	2	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[5,6a]H)(H)	C[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[5,6a]H)(H){1|O<2>,3|C<3>}	C[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	124.7020	0.000	1	124.7020	0.000	1	124.7020	0.000	1	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[5a,6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]O[5a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|O<2>,1|S<2>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[5a,6a]C)(H){4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]O[5a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S){1|C<4>,1|H<1>,3|C<3>}	125.2740	0.000	1	125.2740	0.000	1	125.6860	0.410	3	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<4>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[5a,6a]C[6a])(H){1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S){1|C<4>,1|H<1>,1|O<2>,1|S<2>,2|C<3>}	126.4240	0.000	1	126.4240	0.000	1	125.6860	0.410	3	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[5a,6a]H)(H){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S){1|C<4>,1|H<1>,1|O<2>,1|S<2>,2|C<3>}	125.3600	0.000	1	125.3600	0.000	1	125.6860	0.410	3	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|Br<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]Br)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]C){2|H<1>,4|C<3>}	125.2000	0.000	1	125.2000	0.000	1	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,3|H<1>}	124.9730	0.000	1	124.9730	0.000	1	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	124.1375	0.202	2	124.3928	0.101	4	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	124.6480	0.042	2	124.3928	0.101	4	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	123.3237	0.493	3	123.3237	0.243	3	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|S<3>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(H){1|Br<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]C){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	124.4804	0.219	5	124.7413	0.130	19	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|S<3>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]C){1|C<3>,1|H<1>,2|C<4>}	124.6227	0.049	4	124.7413	0.130	19	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|S<3>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(H){1|Cl<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]C){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	124.5767	0.454	3	124.7413	0.130	19	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|S<3>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]C){1|C<3>,1|C<4>,2|H<1>}	125.0660	0.291	7	124.7413	0.130	19	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|H<1>,1|S<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>}	123.7200	0.000	1	123.5320	0.071	2	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>}	123.3440	0.000	1	123.5320	0.071	2	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|Cl<1>,1|H<1>,1|P<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]Cl)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>}	124.4005	0.015	2	124.4005	0.000	2	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]B[5,5]C[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|B<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]B[5,5]C[5a])(C[6a]C[6a]H){1|N<4>,2|C<3>,2|H<1>,2|O<2>}	124.9160	0.000	1	124.9160	0.000	1	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	123.6630	0.000	1	123.6630	0.000	1	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|Br<1>,1|C<3>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H){1|C<3>,1|S<4>,2|H<1>}	124.0790	0.000	1	124.0790	0.000	1	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	125.2430	0.000	1	125.2430	0.000	1	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	122.9200	0.000	1	124.1490	0.647	51	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,2|H<1>}	124.1060	0.000	1	124.1490	0.647	51	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	124.1780	0.139	2	124.1490	0.647	51	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	124.0270	0.000	1	124.1490	0.647	51	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>}	123.2620	0.000	1	124.1490	0.647	51	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,3|C<3>}	123.4410	0.000	1	124.1490	0.647	51	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	123.7630	0.132	2	124.1490	0.647	51	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	123.9015	0.257	2	124.1490	0.647	51	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>}	123.0230	0.000	1	124.1490	0.647	51	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	124.0307	0.142	6	124.1490	0.647	51	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	124.1660	0.000	1	124.1490	0.647	51	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	124.5605	0.472	2	124.1490	0.647	51	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	124.0282	0.363	8	124.1490	0.647	51	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	123.4315	0.122	2	124.1490	0.647	51	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|N<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<1>,2|H<1>}	125.4177	1.156	4	124.1490	0.647	51	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	123.4490	0.000	1	124.1490	0.647	51	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	124.3595	0.448	2	124.1490	0.647	51	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	124.3645	1.044	13	124.1490	0.647	51	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|C<3>,3|H<1>}	124.1955	0.303	2	124.0817	0.085	3	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	123.8540	0.000	1	124.0817	0.085	3	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	124.6030	0.000	1	124.6030	0.000	1	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	123.6280	0.000	1	124.2823	0.506	15	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	124.1703	0.386	3	124.2823	0.506	15	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	126.5300	0.000	1	124.2823	0.506	15	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|P<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|P<3>,2|H<1>,3|C<3>}	123.8460	0.000	1	124.2823	0.506	15	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|P<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>}	123.9380	0.091	3	124.2823	0.506	15	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	123.7030	0.000	1	124.2823	0.506	15	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	124.2733	0.133	3	124.2823	0.506	15	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,1|S<4>,4|C<3>}	124.6910	0.031	2	124.2823	0.506	15	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]O){1|N<3>,2|H<1>,3|C<3>}	125.1495	0.503	2	125.1495	0.253	2	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	123.4990	0.000	1	123.4990	0.000	1	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<3>,1|O<2>,2|H<1>}	124.1050	0.235	3	124.0495	0.049	4	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){2|C<3>,2|H<1>}	123.8830	0.000	1	124.0495	0.049	4	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>}	123.4610	0.000	1	124.0497	0.359	88	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	123.9347	0.487	10	124.0497	0.359	88	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>}	124.1330	0.000	1	124.0497	0.359	88	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|S<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|S<2>,2|H<1>}	124.2940	0.000	1	124.0497	0.359	88	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	123.9260	0.000	1	124.0497	0.359	88	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|Co<4>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Co<4>,1|C<3>,2|H<1>}	123.6330	0.000	1	124.0497	0.359	88	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|Ir<8>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Ir<8>,1|C<3>,2|H<1>}	125.2515	1.255	2	124.0497	0.359	88	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|Sn<4>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Sn<4>,1|C<3>,2|H<1>}	124.1153	0.388	4	124.0497	0.359	88	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|Br<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<3>}	123.8130	0.323	4	124.0497	0.359	88	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	124.1122	0.596	57	124.0497	0.359	88	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	122.9820	0.000	1	124.0497	0.359	88	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>}	123.4293	0.317	3	124.0497	0.359	88	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	123.8485	0.459	2	124.0497	0.359	88	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]O){2|C<3>,2|H<1>}	124.1120	0.000	1	124.1120	0.000	1	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]C){1|H<1>,1|O<2>,2|C<3>}	123.5300	0.000	1	123.5300	0.000	1	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>}	122.4180	0.000	1	123.7390	0.585	25	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	124.2946	0.452	8	123.7390	0.585	25	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,2|H<1>}	123.5955	0.415	2	123.7390	0.585	25	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|Br<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<3>}	123.5121	0.718	7	123.7390	0.585	25	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,2|H<1>}	123.7360	0.801	6	123.7390	0.585	25	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>}	122.5070	0.000	1	123.7390	0.585	25	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|Br<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<3>}	123.2806	0.420	5	123.1900	0.264	7	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|I<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){1|H<1>,1|I<1>,2|C<3>}	122.9635	0.858	2	123.1900	0.264	7	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]P)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]P)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	124.1943	0.063	3	124.1943	0.004	3	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]P[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]P[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	124.1360	0.000	1	124.1360	0.000	1	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|Br<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	123.6720	0.122	2	123.6950	0.213	211	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>}	122.9489	0.655	8	123.6950	0.213	211	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|F<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|F<1>,1|H<1>}	123.9030	0.367	3	123.6950	0.213	211	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	123.5561	0.383	9	123.6950	0.213	211	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|Br<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	123.7289	0.371	14	123.6950	0.213	211	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>}	123.4894	0.294	21	123.6950	0.213	211	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|Cl<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	123.7921	0.194	9	123.6950	0.213	211	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|F<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|F<1>,1|H<1>}	123.9748	0.301	5	123.6950	0.213	211	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	123.8310	0.071	2	123.6950	0.213	211	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|I<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|I<1>}	123.8901	0.233	10	123.6950	0.213	211	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	123.0837	0.134	4	123.6950	0.213	211	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|Br<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	124.0147	0.145	4	123.6950	0.213	211	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>}	123.5165	0.485	32	123.6950	0.213	211	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|Cl<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	124.0029	0.301	8	123.6950	0.213	211	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|F<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|F<1>,1|H<1>}	124.1118	0.200	6	123.6950	0.213	211	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|I<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|I<1>}	123.9950	0.088	2	123.6950	0.213	211	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	123.8320	0.000	1	123.6950	0.213	211	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|H<1>,3|C<3>}	123.3344	0.430	16	123.6950	0.213	211	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|S<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|Br<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<3>}	123.9673	0.472	10	123.6950	0.213	211	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|S<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	123.5566	0.225	10	123.6950	0.213	211	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|S<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|Cl<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,2|C<3>}	123.9989	0.299	9	123.6950	0.213	211	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|S<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|F<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|F<1>,1|H<1>,2|C<3>}	124.0475	0.294	11	123.6950	0.213	211	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|S<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){2|C<3>,2|H<1>}	124.3470	0.000	1	123.6950	0.213	211	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|S<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|I<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|H<1>,1|I<1>,2|C<3>}	124.1025	0.242	8	123.6950	0.213	211	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|S<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|H<1>,3|C<3>}	123.3630	0.335	2	123.6950	0.213	211	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	123.8160	0.298	2	123.6950	0.213	211	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|I<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|H<1>,1|I<1>,2|C<3>}	124.4450	0.047	2	123.6950	0.213	211	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]Si)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|Si<4>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]Si)(C[6a]C[6a]H){1|C<3>,3|H<1>}	124.2610	0.324	2	124.2610	0.105	2	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,2|C<3>,2|N<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]N)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	124.9325	0.144	2	124.9325	0.021	2	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]N)(H){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>}	125.0845	0.169	2	125.0845	0.029	2	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	124.2410	0.000	1	124.7300	0.278	3	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>}	124.9745	0.443	2	124.7300	0.278	3	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){2|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]O){2|C<3>,2|H<1>}	127.4030	0.000	1	127.4030	0.000	1	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	125.1310	0.000	1	124.5675	0.635	2	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	124.0040	0.000	1	124.5675	0.635	2	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]C){2|H<1>,4|C<3>}	125.5030	0.267	2	125.5030	0.071	2	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,1|O<2>,1|P<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>}	124.7385	0.135	2	124.7385	0.018	2	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,2|C<3>,2|O<2>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]O){3|C<3>,3|H<1>}	126.0810	0.000	1	126.0810	0.000	1	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	125.1290	0.187	2	124.4184	0.516	5	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H){4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	124.1845	0.028	2	124.4184	0.516	5	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H){4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	123.4650	0.000	1	124.4184	0.516	5	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,2|C<3>,2|O<2>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]O){2|C<3>,2|H<1>}	124.4285	0.306	2	124.4285	0.094	2	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|N<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]H)(H){3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]N[6a]H){1|H<1>,2|C<3>}	121.8650	0.000	1	121.8650	0.000	1	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]N[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]N[5a]){1|C<3>,1|C<4>,1|F<1>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]F)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]N[5a]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	123.8008	0.222	6	123.8008	0.049	6	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]N[5a]){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	123.8745	0.025	2	123.8745	0.001	2	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	123.7820	0.705	4	123.7820	0.497	4	123.9523	0.460	487	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6,6a]C[6])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6,6a]H)(H){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6,6a]C[6])(C[5a]C[5a]C){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	124.8240	0.000	1	124.8240	0.000	1	125.0765	0.128	2	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6,6a]N[6])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6,6a]H)(H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6,6a]N[6])(C[5a]C[5a]H){1|C<4>,1|H<1>,4|C<3>}	125.3290	0.000	1	125.3290	0.000	1	125.0765	0.128	2	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,4|C<3>}	123.9340	0.000	1	123.9340	0.000	1	123.9340	0.000	1	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]B[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|B<3>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|B<3>,1|C<3>,2|H<1>}	121.7880	0.000	1	122.1880	0.120	3	123.3873	0.836	46	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]B[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|Pt<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Pt<4>,1|C<3>,2|H<1>}	122.3880	0.010	2	122.1880	0.120	3	123.3873	0.836	46	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]B[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]B[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|B<3>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]B[5a]H){1|B<3>,1|C<3>,2|H<1>}	122.5670	0.000	1	122.5670	0.000	1	123.3873	0.836	46	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,2|H<1>}	123.5950	0.288	2	123.5950	0.083	2	123.3873	0.836	46	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(H){1|Cl<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>}	122.8840	0.000	1	122.8840	0.000	1	123.3873	0.836	46	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]Br)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]Br)(N[5a]C[5a]C){1|C<3>,1|O<1>,2|H<1>}	124.7940	0.000	1	124.7940	0.000	1	123.3873	0.836	46	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C)(N[5a]C[5a]C){1|C<3>,1|O<1>,2|H<1>}	124.0160	0.000	1	124.0160	0.000	1	123.3873	0.836	46	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<3>,1|O<1>,2|H<1>}	123.1750	0.018	2	123.1750	0.000	2	123.3873	0.836	46	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]Cl)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]Cl)(N[5a]C[5a]C){1|C<3>,1|O<1>,2|H<1>}	124.4720	0.000	1	124.4720	0.000	1	123.3873	0.836	46	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,1|H<1>,1|O<1>}	119.9950	0.000	1	123.4640	0.934	28	123.3873	0.836	46	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	122.9532	0.495	4	123.4640	0.934	28	123.3873	0.836	46	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>}	123.1223	0.357	3	123.4640	0.934	28	123.3873	0.836	46	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,2|H<1>}	123.2002	0.444	5	123.4640	0.934	28	123.3873	0.836	46	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,2|H<1>}	123.9877	0.629	15	123.4640	0.934	28	123.3873	0.836	46	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|O<1>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>}	122.8650	0.434	2	123.0740	0.134	4	123.3873	0.836	46	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|O<1>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|O<1>,2|H<1>}	123.1440	0.000	1	123.0740	0.134	4	123.3873	0.836	46	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|O<1>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|H<1>,1|O<1>,2|C<3>}	123.4220	0.000	1	123.0740	0.134	4	123.3873	0.836	46	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]I[5])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|I<3>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]I[5])(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,2|H<1>}	122.9120	0.000	1	122.9120	0.000	1	123.3873	0.836	46	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|O<1>,2|H<1>}	124.7820	0.000	1	124.7820	0.000	1	123.3873	0.836	46	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a]C[5a]Ni)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|Ni<6>,1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a]C[5a]Ni)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>}	124.1120	0.000	1	124.1120	0.000	1	123.9597	0.081	11	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a]C[5a]Si)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|Si<4>,1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a]C[5a]Si)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>}	123.9297	0.342	7	123.9297	0.117	7	123.9597	0.081	11	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a]Si[5,6]C[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|Si<5>,1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a]Si[5,6]C[5a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	123.8905	0.170	2	123.9790	0.038	3	123.9597	0.081	11	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a]Si[5,6]C[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|Si<6>,1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a]Si[5,6]C[5a])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,2|N<3>,2|O<2>}	124.1560	0.000	1	123.9790	0.038	3	123.9597	0.081	11	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]Br)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|Br<1>,2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]Br)(H){4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C){1|C<4>,2|H<1>,3|C<3>}	125.2120	0.000	1	125.2120	0.000	1	125.1952	0.361	47	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]Br)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]Br)(H){4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H){1|C<4>,2|H<1>,3|C<3>}	124.1820	0.000	1	124.3275	0.042	2	125.1952	0.361	47	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]Br)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]Br)(H){4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H){2|H<1>,4|C<3>}	124.4730	0.000	1	124.3275	0.042	2	125.1952	0.361	47	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(H){4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C){1|C<4>,2|H<1>,3|C<3>}	125.1900	0.000	1	125.3453	0.511	3	125.1952	0.361	47	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(H){4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C){2|H<1>,4|C<3>}	125.4230	0.993	2	125.3453	0.511	3	125.1952	0.361	47	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[5])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(H){4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[5]){3|H<1>,6|C<3>}	125.5290	0.000	1	125.5290	0.000	1	125.1952	0.361	47	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(H){4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a]){1|C<4>,2|H<1>,5|C<3>}	125.3700	0.000	1	125.0007	0.260	6	125.1952	0.361	47	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(H){4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a]){1|N<3>,2|H<1>,5|C<3>}	125.0093	0.716	3	125.0007	0.260	6	125.1952	0.361	47	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(H){4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<2>,6|C<3>}	124.9730	0.000	1	125.0007	0.260	6	125.1952	0.361	47	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(H){4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a]){2|H<1>,6|C<3>}	124.6330	0.000	1	125.0007	0.260	6	125.1952	0.361	47	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(H){4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H){1|C<4>,2|H<1>,3|C<3>}	124.5130	0.000	1	124.5760	0.092	5	125.1952	0.361	47	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(H){4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H){2|H<1>,4|C<3>}	124.5918	0.348	4	124.5760	0.092	5	125.1952	0.361	47	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(H){4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N){2|H<1>,4|C<3>}	125.2120	0.000	1	124.6783	0.774	3	125.1952	0.361	47	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(H){4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N){2|H<1>,4|C<3>}	124.4115	1.059	2	124.6783	0.774	3	125.1952	0.361	47	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(H){4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S){1|C<4>,2|H<1>,3|C<3>}	125.2590	0.272	2	125.4548	0.238	26	125.1952	0.361	47	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<4>,1|H<1>,1|S<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(H){4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S){1|C<4>,2|H<1>,3|C<3>}	125.1393	0.174	4	125.4548	0.238	26	125.1952	0.361	47	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(H){4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S){1|C<4>,2|H<1>,3|C<3>}	126.0858	0.203	8	125.4548	0.238	26	125.1952	0.361	47	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(H){4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S){2|H<1>,4|C<3>}	125.1593	0.225	4	125.4548	0.238	26	125.1952	0.361	47	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,1|S<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(H){4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S){2|H<1>,4|C<3>}	125.1783	0.324	8	125.4548	0.238	26	125.1952	0.361	47	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]2)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]2)(H){1|C<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]H){1|C<3>,1|H<1>,2|C<4>}	122.1780	0.229	2	122.1780	0.052	2	122.5337	0.406	3	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]Cl)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(S[5a]C[5a]){1|Cl<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]C[5])(H){1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]Cl)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>}	123.2450	0.000	1	123.2450	0.000	1	122.5337	0.406	3	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:F-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]F)(S[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(F)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]F)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]F)(S[5a]C[5a,6a]){1|F<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(F){1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]F){1|F<1>,1|H<1>,1|S<2>,3|C<3>}	120.5870	0.000	1	121.7623	1.063	3	121.7623	1.063	3	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:F-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]F)(S[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(F)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]F)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]F)(S[5a]C[5a,6a]){1|F<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(F){1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]F){1|S<2>,2|F<1>,3|C<3>}	122.3500	0.231	2	121.7623	1.063	3	121.7623	1.063	3	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5,5a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5,5a]C[5,5a]S[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5,5a]){1|H<1>,2|C<3>,2|S<2>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[5a,6a]C[5a,6a]S[5a])(H){2|S<2>,4|C<3>}	C[5a,6a](C[5,5a]C[5,5a]S[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){1|C<3>,1|C<4>,1|H<1>,2|S<2>}	122.5650	0.000	1	122.5650	0.000	1	122.6860	0.029	2	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5,5a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5,5a]){1|Si<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[5a,6a]C[5a,6a]S[5a])(H){1|Si<4>,1|S<2>,4|C<3>}	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){1|H<1>,1|S<2>,2|C<4>,3|C<3>}	122.8070	0.000	1	122.8070	0.000	1	122.6860	0.029	2	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,5a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,5a]){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]S[5a])(H){2|S<2>,4|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){1|H<1>,1|S<2>,3|C<3>}	121.6495	0.448	6	121.6495	0.201	6	122.0772	0.327	13	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,5a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,5a]){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){1|H<1>,1|S<2>,3|C<3>}	122.0580	0.000	1	122.0580	0.000	1	122.0772	0.327	13	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])2(H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,5a]){1|H<1>,2|C<3>,2|S<2>}	C[6a](C[5a,6a]C[5a,6a]S[5a])2(H){5|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){1|H<1>,4|C<3>}	122.5082	0.378	6	122.5082	0.143	6	122.0772	0.327	13	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,6])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,6]){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[5a,6a]C[5a,6a]S[5a])(H){1|C<4>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){1|C<3>,1|C<4>,2|S<2>,3|H<1>}	123.4480	0.000	1	123.4480	0.000	1	122.7518	0.302	4	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,6])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6]C[5a,6]S[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,6]){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[5a,6a]C[5a,6a]S[5a])(H){2|S<2>,4|C<3>}	C[5a,6a](C[5a,6]C[5a,6]S[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	122.2780	0.000	1	122.5197	0.129	3	122.7518	0.302	4	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,6])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6]C[5a,6]S[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,6]){1|H<1>,2|C<3>,2|S<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[5a,6a]C[5a,6a]S[5a])(H){2|S<2>,4|C<3>}	C[5a,6a](C[5a,6]C[5a,6]S[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){1|C<3>,1|C<4>,1|H<1>,2|S<2>}	122.6405	0.414	2	122.5197	0.129	3	122.7518	0.302	4	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,6a]){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(H){1|S<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){2|H<1>,4|C<3>}	122.9240	0.000	1	122.9240	0.000	1	122.9208	1.020	9	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(H){1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){1|N<3>,2|H<1>,3|C<3>}	122.4200	0.526	2	122.9204	1.166	8	122.9208	1.020	9	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(H){1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	123.8130	0.293	4	122.9204	1.166	8	122.9208	1.020	9	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(H){1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){1|S<2>,2|H<1>,3|C<3>}	121.6355	0.800	2	122.9204	1.166	8	122.9208	1.020	9	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]S[5a])(H){2|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	123.0120	0.000	1	123.0120	0.000	1	122.8117	0.518	26	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a]){1|B<6>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H){1|B<6>,1|C<3>,1|H<1>,1|S<2>}	122.3905	0.436	4	122.5733	0.265	12	122.8117	0.518	26	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H){1|C<3>,1|H<1>,2|S<2>}	123.0967	0.240	3	122.5733	0.265	12	122.8117	0.518	26	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H){1|C<3>,1|S<2>,2|H<1>}	122.6248	0.244	4	122.5733	0.265	12	122.8117	0.518	26	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H){1|H<1>,1|S<2>,2|C<3>}	121.5290	0.000	1	122.5733	0.265	12	122.8117	0.518	26	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H){2|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]S){1|C<3>,1|S<2>,2|H<1>}	122.0330	0.000	1	122.0330	0.000	1	122.8117	0.518	26	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]Se)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a]){1|Se<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H){1|Se<2>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]Se){1|C<3>,1|S<2>,2|H<1>}	122.3470	0.000	1	122.3470	0.000	1	122.8117	0.518	26	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(H){1|S<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,4|C<3>}	122.7575	0.011	2	122.7575	0.000	2	122.8117	0.518	26	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(H){1|S<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H){1|H<1>,3|C<3>}	123.4070	0.000	1	123.4070	0.000	1	122.8117	0.518	26	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])2(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])2(H){5|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	123.1623	0.358	4	123.2389	0.951	8	122.8117	0.518	26	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])2(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a]){1|C<3>,1|S<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])2(H){5|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H){2|C<3>,2|H<1>}	122.3475	0.801	2	123.2389	0.951	8	122.8117	0.518	26	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])2(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])2(H){5|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H){1|H<1>,3|C<3>}	124.2835	1.356	2	123.2389	0.951	8	122.8117	0.518	26	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6,6a]-3:Cl-1:	C[5,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5,6a]C[5a])(C[6a]C[6,6a]Cl)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6,6a]C[5,6,6a]C[6])(Cl)	C[5a,6a](C[5,6a]C[5,6,6a]C[5,5a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5,6a]C[5a])(C[6a]C[6,6a]Cl)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6,6a]C[5,6,6a]C[6])(Cl){1|C<4>,6|C<3>}	C[5a,6a](C[5,6a]C[5,6,6a]C[5,5a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H){1|Cl<1>,1|C<4>,1|H<1>,1|S<2>,2|C<3>}	122.6110	0.000	1	122.6110	0.000	1	122.6110	0.000	1	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6,6a]C[6,6a]O[6])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6,6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6,6a]C[6,6a]O[6])(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6,6a]H)(N[5a]C[5a]C){1|H<1>,1|O<1>,2|C<3>}	120.7590	0.000	1	120.7590	0.000	1	120.7590	0.000	1	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]Br)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(Br)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]Br)(S[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(Br){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H){1|Br<1>,1|H<1>,4|C<3>}	120.8290	0.311	2	120.8290	0.097	2	120.8290	0.097	2	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[6a]C[6a,6a]H)(S[5a]C[5a,5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[6a]C[6a,6a]H)(S[5a]C[5a,5a]){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,5|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H){1|H<1>,4|C<3>}	121.5741	0.363	16	121.5741	0.132	16	121.5741	0.132	16	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(S[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|C<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H){2|H<1>,4|C<3>}	121.9810	0.401	3	121.9621	0.080	8	121.9621	0.080	8	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(S[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|C<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H){2|H<1>,4|C<3>}	122.1300	0.000	1	121.9621	0.080	8	121.9621	0.080	8	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(S[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H){2|H<1>,4|C<3>}	121.9263	0.308	3	121.9621	0.080	8	121.9621	0.080	8	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(S[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(H){6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H){2|H<1>,4|C<3>}	121.8450	0.000	1	121.9621	0.080	8	121.9621	0.080	8	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	122.1840	0.000	1	121.7880	0.209	5	121.8236	0.144	7	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]H){2|C<3>,2|H<1>}	121.6955	0.777	2	121.7880	0.209	5	121.8236	0.144	7	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|C<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]H){1|H<1>,3|C<3>}	121.6825	0.190	2	121.7880	0.209	5	121.8236	0.144	7	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]I)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(S[5a]C[5a]){1|Si<4>,1|H<1>,1|I<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]I){1|Si<4>,1|H<1>,2|C<3>}	121.8650	0.000	1	121.8650	0.000	1	121.8236	0.144	7	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(S[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]S){2|C<3>,2|H<1>}	121.9600	0.000	1	121.9600	0.000	1	121.8236	0.144	7	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a,6])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5a,6a]H)(H){1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a,6])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H){1|C<2>,1|H<1>,1|S<2>,3|C<3>}	122.7960	0.000	1	122.7960	0.000	1	123.2051	0.478	12	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5a,6a]H)(H){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	123.8895	0.105	2	123.8895	0.011	2	123.2051	0.478	12	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5a,6a]H)(H){1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)(C[5a]C[5a]C){1|H<1>,1|S<2>,4|C<3>}	123.4930	0.767	3	123.4930	0.588	3	123.2051	0.478	12	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|P<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5a,6a]H)(H){1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H){1|H<1>,1|P<4>,1|S<2>,3|C<3>}	121.6250	0.000	1	122.9012	0.433	6	123.2051	0.478	12	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5a,6a]H)(H){1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H){1|S<2>,2|H<1>,3|C<3>}	123.1564	0.230	5	122.9012	0.433	6	123.2051	0.478	12	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	121.9820	0.000	1	121.9820	0.000	1	121.6077	0.646	259	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H){2|C<3>,2|H<1>}	121.3045	0.439	2	121.3045	0.193	2	121.6077	0.646	259	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]I)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|I<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)(H){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]I){1|C<3>,1|O<2>,2|H<1>}	122.1390	0.000	1	122.1390	0.000	1	121.6077	0.646	259	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|F<1>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]F)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	121.7340	0.165	2	121.7340	0.027	2	121.6077	0.646	259	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	121.0290	0.761	2	121.4394	0.242	16	121.6077	0.646	259	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	121.0085	0.885	2	121.4394	0.242	16	121.6077	0.646	259	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|S<2>,3|H<1>}	121.7760	0.000	1	121.4394	0.242	16	121.6077	0.646	259	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	121.4070	0.648	3	121.4394	0.242	16	121.6077	0.646	259	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	121.5360	0.000	1	121.4394	0.242	16	121.6077	0.646	259	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	121.6130	0.180	2	121.4394	0.242	16	121.6077	0.646	259	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){2|H<1>,4|C<3>}	121.6392	0.274	5	121.4394	0.242	16	121.6077	0.646	259	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]B)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]B)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	122.4450	0.000	1	122.4450	0.000	1	121.6077	0.646	259	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	121.5240	0.191	3	121.5882	0.947	45	121.6077	0.646	259	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<2>,1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>}	121.3270	0.000	1	121.5882	0.947	45	121.6077	0.646	259	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|Cl<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|H<1>}	121.3100	0.000	1	121.5882	0.947	45	121.6077	0.646	259	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	121.0365	1.914	8	121.5882	0.947	45	121.6077	0.646	259	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,2|C<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,2|H<1>}	121.6280	0.000	1	121.5882	0.947	45	121.6077	0.646	259	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|Cl<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,2|C<3>}	121.6970	0.000	2	121.5882	0.947	45	121.6077	0.646	259	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	122.1097	1.432	3	121.5882	0.947	45	121.6077	0.646	259	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	121.5478	0.158	4	121.5882	0.947	45	121.6077	0.646	259	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|H<1>}	122.0170	0.000	1	121.5882	0.947	45	121.6077	0.646	259	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>}	122.9570	0.000	1	121.5882	0.947	45	121.6077	0.646	259	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|Pd<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Pd<4>,1|C<3>,2|H<1>}	121.8776	0.535	5	121.5882	0.947	45	121.6077	0.646	259	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	122.0955	0.172	6	121.5882	0.947	45	121.6077	0.646	259	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	121.1139	0.464	7	121.5882	0.947	45	121.6077	0.646	259	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	121.8470	0.191	2	121.5882	0.947	45	121.6077	0.646	259	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<2>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	121.5440	0.000	1	121.5440	0.000	1	121.6077	0.646	259	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	121.9230	0.000	1	121.3878	0.910	30	121.6077	0.646	259	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|Fe<10>,1|C<3>,2|C<4>,3|H<1>}	123.2160	0.280	2	121.3878	0.910	30	121.6077	0.646	259	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	121.2169	0.823	24	121.3878	0.910	30	121.6077	0.646	259	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	122.7470	0.000	1	121.3878	0.910	30	121.6077	0.646	259	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){2|H<1>,4|C<3>}	120.6625	0.433	2	121.3878	0.910	30	121.6077	0.646	259	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]O){1|Fe<10>,1|C<3>,2|C<4>,3|H<1>}	122.5330	0.117	2	122.5330	0.014	2	121.6077	0.646	259	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	122.4720	0.000	1	122.2577	0.381	3	121.6077	0.646	259	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|Pt<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|Pt<4>,1|N<3>,2|C<3>,2|H<1>}	122.7390	0.000	1	122.2577	0.381	3	121.6077	0.646	259	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){3|C<3>,3|H<1>}	121.5620	0.000	1	122.2577	0.381	3	121.6077	0.646	259	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	122.1730	0.065	2	121.6247	0.290	6	121.6077	0.646	259	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	121.3505	0.426	4	121.6247	0.290	6	121.6077	0.646	259	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|Cl<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H){2|C<3>,2|H<1>}	121.8333	0.392	3	121.8333	0.153	3	121.6077	0.646	259	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|B<4>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|B<4>,1|C<3>,2|H<1>}	121.0092	0.740	4	121.4532	0.236	51	121.6077	0.646	259	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	121.5293	0.368	19	121.4532	0.236	51	121.6077	0.646	259	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|P<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|P<3>,2|H<1>}	121.7110	0.000	1	121.4532	0.236	51	121.6077	0.646	259	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	121.4743	0.510	26	121.4532	0.236	51	121.6077	0.646	259	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>}	120.9780	0.000	1	121.4532	0.236	51	121.6077	0.646	259	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]Ir)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|Ir<6>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]Ir)(C[6a]C[6a]H){2|C<3>,2|H<1>}	122.0855	1.277	13	121.9810	1.375	16	121.6077	0.646	259	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]Ir)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|Ir<7>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]Ir)(C[6a]C[6a]H){2|C<3>,2|H<1>}	121.5280	0.385	3	121.9810	1.375	16	121.6077	0.646	259	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,2|H<1>}	121.3957	0.396	6	121.5679	0.224	8	121.6077	0.646	259	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,2|H<1>}	122.0845	0.271	2	121.5679	0.224	8	121.6077	0.646	259	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|Br<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	120.9290	0.000	1	120.7080	0.091	10	121.6077	0.646	259	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	120.7010	0.000	1	120.7080	0.091	10	121.6077	0.646	259	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|F<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){1|F<1>,1|H<1>,2|C<3>}	120.1060	0.000	1	120.7080	0.091	10	121.6077	0.646	259	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){2|C<3>,2|H<1>}	120.7634	0.255	7	120.7080	0.091	10	121.6077	0.646	259	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]P)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]P)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	122.4841	0.501	12	122.3564	0.270	16	121.6077	0.646	259	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]P)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|P<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]P)(C[6a]C[6a]H){2|C<3>,2|H<1>}	121.9735	0.412	4	122.3564	0.270	16	121.6077	0.646	259	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]P[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|P<3>,1|P<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]P[5])(C[6a]C[6a]H){1|C<3>,1|P<4>,2|C<4>,2|H<1>}	122.5540	0.000	1	122.5540	0.000	1	121.6077	0.646	259	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]Pd)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|Pd<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]Pd)(C[6a]C[6a]H){2|C<3>,2|H<1>}	122.2025	0.387	2	122.2025	0.150	2	121.6077	0.646	259	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]Pt)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|Pt<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]Pt)(C[6a]C[6a]H){2|C<3>,2|H<1>}	122.5020	0.000	1	122.2227	0.230	3	121.6077	0.646	259	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]Pt)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|Pt<6>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]Pt)(C[6a]C[6a]H){2|C<3>,2|H<1>}	122.0830	0.585	2	122.2227	0.230	3	121.6077	0.646	259	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	121.6620	0.000	1	122.0123	0.098	3	121.6077	0.646	259	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|S<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,3|H<1>}	122.2630	0.000	1	122.0123	0.098	3	121.6077	0.646	259	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,2|H<1>,2|S<4>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|S<4>,2|H<1>}	122.1120	0.000	1	122.0123	0.098	3	121.6077	0.646	259	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]Sn)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|Sn<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]Sn)(C[6a]C[6a]H){2|C<3>,2|H<1>}	122.5300	0.274	2	122.5300	0.075	2	121.6077	0.646	259	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]N)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	122.1060	0.482	4	122.1060	0.232	4	121.6077	0.646	259	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]N[6a])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]N)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|O<1>,2|C<3>,2|N<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]N[6a])(H){1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]N)(C[6a]N[6a]O){1|H<1>,1|N<3>,2|C<3>}	120.6650	0.000	1	120.6650	0.000	1	121.6077	0.646	259	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<2>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	122.0480	0.000	1	122.0720	0.001	2	121.6077	0.646	259	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	122.0960	0.000	1	122.0720	0.001	2	121.6077	0.646	259	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|Fe<10>,1|C<3>,2|C<4>,3|H<1>}	123.4750	0.000	1	123.3060	0.057	2	121.6077	0.646	259	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|Fe<10>,2|C<3>,2|C<4>,2|H<1>}	123.1370	0.000	1	123.3060	0.057	2	121.6077	0.646	259	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|H<1>,2|C<3>,2|O<2>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	123.0940	0.000	1	123.0940	0.000	1	121.6077	0.646	259	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O[6a])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]O)(C[6a]O[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|O<1>,2|C<3>,2|O<2>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O[6a])(H){5|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]O)(C[6a]O[6a]O){1|H<1>,2|C<3>}	121.8780	0.000	1	121.8780	0.000	1	121.6077	0.646	259	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]N[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]N[5a]){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]N[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	122.1385	0.353	2	122.1385	0.125	2	121.6077	0.646	259	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]N[5a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	121.1705	0.330	10	121.0488	0.108	21	121.6077	0.646	259	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]N[5a]){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>}	120.7555	0.135	2	121.0488	0.108	21	121.6077	0.646	259	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]N[5a]){1|C<3>,1|O<1>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){1|C<3>,3|H<1>}	121.4150	0.092	2	121.0488	0.108	21	121.6077	0.646	259	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]N[5a]){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){2|C<3>,2|H<1>}	120.8540	0.220	7	121.0488	0.108	21	121.6077	0.646	259	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]N[6])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]N[6])(C[5a]C[5a]H){1|C<3>,2|C<4>,3|H<1>}	122.2850	0.000	1	122.2850	0.000	1	122.2850	0.000	1	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,2|H<1>}	120.5120	0.471	6	120.5120	0.222	6	120.8772	0.491	16	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<3>,1|O<1>,2|H<1>}	121.7600	0.000	1	121.7600	0.000	1	120.8772	0.491	16	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]Cl)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]Cl)(N[5a]C[5a]C){1|C<3>,1|O<1>,2|H<1>}	122.7140	0.000	1	122.7140	0.000	1	120.8772	0.491	16	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,2|H<1>}	120.9533	0.394	6	120.9533	0.155	6	120.8772	0.491	16	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|O<1>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|O<1>,2|H<1>}	120.3845	0.021	2	120.3845	0.000	2	120.8772	0.491	16	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]As[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]As[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]As[5a]){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|As<2>,1|C<3>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]As[5a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	120.4180	0.000	1	120.4180	0.000	1	120.9458	0.188	4	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]C[5a]Fe)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|Fe<4>,1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]C[5a]Fe)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>}	121.1217	0.310	3	121.1217	0.096	3	120.9458	0.188	4	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]H)(H){4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H){3|C<3>,3|H<1>}	122.6870	0.000	1	122.1570	0.322	3	122.4197	0.491	4	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]H)(H){4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H){2|H<1>,4|C<3>}	121.8920	0.472	2	122.1570	0.322	3	122.4197	0.491	4	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]O[6a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]H)(H){4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]O[6a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C){2|H<1>,3|C<3>}	123.2080	0.000	1	123.2080	0.000	1	122.4197	0.491	4	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:N[6,6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6,6a]O)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6,6a]C[6,6a]C[6])(O)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6,6a]O)(S[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6,6a]C[6,6a]C[6])(O){6|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6,6a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	123.1610	0.000	1	123.1610	0.000	1	123.1610	0.000	1	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:N[6a,6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a,6a]O)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a,6a]C[6a,6a]C[6a])(O)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a,6a]O)(S[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a,6a]C[6a,6a]C[6a])(O){6|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	124.1360	0.000	1	124.1360	0.000	1	124.1360	0.000	1	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)(S[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]C)(O){4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	124.6595	0.057	2	124.6595	0.003	2	123.6764	0.841	7	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)(S[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]C)(O){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>}	124.3370	0.000	1	124.3370	0.000	1	123.6764	0.841	7	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)(S[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]H)(O){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	123.0198	0.562	4	123.0198	0.316	4	123.6764	0.841	7	121.5966	3.338	2374	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5,6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]C)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]S[5])(CN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]C)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]C)(N[5a]S[5a]){1|C<2>,1|C<3>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]S[5])(CN){1|N<2>,2|C<3>,2|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]C)(N[5a]S[5a]){1|C<2>,1|C<3>,1|S<2>}	120.2135	0.487	2	120.2135	0.237	2	120.2135	0.237	2	119.4350	5.925	137	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])2(CC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C)(N[5a]S[5a]){1|C<2>,1|C<3>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])2(CC){1|C<3>,2|N<2>,2|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C)(N[5a]S[5a]){1|C<2>,1|C<3>,1|N<2>}	122.6460	0.197	2	122.6460	0.039	2	122.6460	0.039	2	119.4350	5.925	137	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]C)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(CC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]C)(N[5a]C[5a]){1|C<2>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(CC){1|N<2>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C)(O[5a]C[5a]){1|C<2>,1|N<2>,2|C<3>}	122.6105	1.124	2	122.6105	1.262	2	122.6105	1.262	2	119.4350	5.925	137	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]N[6a])(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]N[6a])(N[5a]S[5a]){1|Br<1>,1|S<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(N[6a]C[6a]){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]S[5a]){1|C<3>,1|H<1>,1|N<2>}	119.7490	0.000	1	119.7490	0.000	1	119.7490	0.000	1	119.4350	5.925	137	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a]N[6a])(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]O[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]O[5a])(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>}	116.1760	0.170	3	116.1720	0.019	4	116.2822	0.048	6	119.4350	5.925	137	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a]N[6a])(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]O[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]O[5a])(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|N<2>,2|H<1>}	116.1600	0.000	1	116.1720	0.019	4	116.2822	0.048	6	119.4350	5.925	137	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a]N[6a])(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|N<2>,2|H<1>}	116.5025	0.187	2	116.5025	0.035	2	116.2822	0.048	6	119.4350	5.925	137	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]C)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(CC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]C)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]C)(N[5a]S[5a]){1|C<2>,1|C<3>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(CC){1|S<2>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]C)(N[5a]S[5a]){1|C<2>,1|C<3>,1|N<2>}	121.4280	0.561	6	121.4280	0.314	6	121.4280	0.314	6	119.4350	5.925	137	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]O[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]O[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]O[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]O[5a]){1|C<2>,1|H<1>,1|S<2>,2|C<3>}	120.5970	0.000	1	120.5970	0.000	1	120.8156	0.363	53	119.4350	5.925	137	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]O[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]O[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]O[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]O[5a]){1|C<2>,1|H<1>,3|C<3>}	121.4155	0.334	2	121.4155	0.112	2	120.8156	0.363	53	119.4350	5.925	137	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a]){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	122.1810	0.000	1	122.1810	0.000	1	120.8156	0.363	53	119.4350	5.925	137	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]S[5a]){1|C<2>,1|H<1>,3|C<3>}	121.0705	0.694	12	121.0705	0.482	12	120.8156	0.363	53	119.4350	5.925	137	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a]){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]S[5a]){1|C<2>,1|C<3>,1|H<1>}	120.7115	0.205	4	120.7115	0.042	4	120.8156	0.363	53	119.4350	5.925	137	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a]){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a]){1|C<2>,1|C<3>,1|H<1>}	120.6421	0.452	14	120.6991	0.238	15	120.8156	0.363	53	119.4350	5.925	137	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a]){1|C<2>,1|C<3>,1|H<1>}	121.4960	0.000	1	120.6991	0.238	15	120.8156	0.363	53	119.4350	5.925	137	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a]){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|C<2>,1|C<3>,1|H<1>}	120.4853	0.251	3	120.4853	0.063	3	120.8156	0.363	53	119.4350	5.925	137	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a]){1|C<2>,1|C<3>,1|H<1>}	121.7635	0.261	2	121.7635	0.068	2	120.8156	0.363	53	119.4350	5.925	137	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[5a])(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[5a])(N[5a]S[5a]){1|C<2>,1|H<1>,3|C<3>}	121.0730	0.351	2	121.0730	0.123	2	120.8156	0.363	53	119.4350	5.925	137	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6])(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6])(N[5a]S[5a]){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	121.3790	0.000	1	121.3790	0.000	1	120.8156	0.363	53	119.4350	5.925	137	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a]){1|C<2>,1|H<1>,1|S<2>,2|C<3>}	120.6350	0.000	1	120.6350	0.000	1	120.8156	0.363	53	119.4350	5.925	137	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]S[5a]){1|C<2>,1|H<1>,3|C<3>}	120.2554	0.272	9	120.2554	0.074	9	120.8156	0.363	53	119.4350	5.925	137	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]S)(CN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]S)(CN){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(S[5a]C[5a]){1|C<2>,1|H<1>,4|C<3>}	120.6580	0.000	1	120.6580	0.000	1	120.6580	0.000	1	119.4350	5.925	137	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]O[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NP)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]O[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]O[5a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NP){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]O[5a]){1|C<3>,1|H<1>,1|N<2>}	123.6480	0.000	1	123.6480	0.000	1	121.8106	1.026	7	119.4350	5.925	137	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(NC[5])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a]){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(NC[5]){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|C<3>,1|H<1>,1|N<2>}	121.5017	0.967	3	121.5017	0.935	3	121.8106	1.026	7	119.4350	5.925	137	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a]){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[6a]){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]S[5a]){1|C<3>,1|H<1>,1|N<2>}	121.9870	0.000	1	121.9870	0.000	1	121.8106	1.026	7	119.4350	5.925	137	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a]){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[6a]){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|C<3>,1|H<1>,1|N<2>}	121.2670	0.033	2	121.2670	0.001	2	121.8106	1.026	7	119.4350	5.925	137	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6a])(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6a])(N[5a]S[5a]){4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|S<2>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]S[5a]){1|H<1>,1|N<2>,3|C<3>}	121.2880	0.000	1	121.2880	0.000	1	121.2880	0.000	1	119.4350	5.925	137	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|C<2>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|N<2>,2|H<1>}	116.1527	0.258	3	116.5735	0.173	19	116.6052	0.184	20	119.4350	5.925	137	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|C<2>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|N<2>,2|H<1>}	116.3240	0.000	1	116.5735	0.173	19	116.6052	0.184	20	119.4350	5.925	137	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|N<2>,2|H<1>}	116.7480	0.000	1	116.5735	0.173	19	116.6052	0.184	20	119.4350	5.925	137	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|Cl<1>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>}	116.4840	0.000	1	116.5735	0.173	19	116.6052	0.184	20	119.4350	5.925	137	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|N<2>,2|H<1>}	117.1650	0.000	1	116.5735	0.173	19	116.6052	0.184	20	119.4350	5.925	137	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>,3|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|N<2>,2|H<1>}	117.5170	0.000	1	116.5735	0.173	19	116.6052	0.184	20	119.4350	5.925	137	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|I<1>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|N<2>,2|H<1>}	116.9750	0.000	1	116.5735	0.173	19	116.6052	0.184	20	119.4350	5.925	137	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|N<2>,2|H<1>}	116.2210	0.000	1	116.5735	0.173	19	116.6052	0.184	20	119.4350	5.925	137	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|N<2>,2|H<1>}	116.5684	0.284	5	116.5735	0.173	19	116.6052	0.184	20	119.4350	5.925	137	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,2|H<1>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|N<2>,2|H<1>}	117.0730	0.000	1	116.5735	0.173	19	116.6052	0.184	20	119.4350	5.925	137	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|C<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|N<2>,3|C<3>}	116.0810	0.000	1	116.5735	0.173	19	116.6052	0.184	20	119.4350	5.925	137	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|C<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,2|C<3>}	116.5040	0.006	2	116.5735	0.173	19	116.6052	0.184	20	119.4350	5.925	137	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	117.2090	0.000	1	117.2090	0.000	1	116.6052	0.184	20	119.4350	5.925	137	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]O)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(OC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]O)(N[5a]C[5a]){1|Br<1>,1|C<3>,1|C<4>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(OC){1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(O[5a]C[5a]){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	118.1735	1.249	2	118.1735	1.561	2	118.3140	0.840	3	119.4350	5.925	137	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]O)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OP)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OP){1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	118.5950	0.000	1	118.5950	0.000	1	118.3140	0.840	3	119.4350	5.925	137	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]O)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]O)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC[6a]){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	117.9326	0.787	16	117.9326	0.620	16	117.9326	0.620	16	119.4350	5.925	137	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:S-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]S)(N[5a]O[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(SC[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]O[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]S)(N[5a]O[5a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(SC[6a]){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]O[5a]){1|C<3>,1|H<1>,1|S<2>}	122.1660	0.601	2	122.1660	0.361	2	122.1660	0.361	2	119.4350	5.925	137	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C[5a])(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	114.9505	0.033	2	114.9505	0.001	2	114.8940	0.052	9	119.4350	5.925	137	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]2)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]2)(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<3>,2|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|Cl<1>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	115.2220	0.000	1	115.0167	0.040	3	114.8940	0.052	9	119.4350	5.925	137	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]2)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	114.8250	0.000	1	115.0167	0.040	3	114.8940	0.052	9	119.4350	5.925	137	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]2)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]2)(N[6a]C[6a]){1|N<3>,2|C<3>,2|N<2>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	115.0030	0.000	1	115.0167	0.040	3	114.8940	0.052	9	119.4350	5.925	137	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]2)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]2)(N[6a]C[6a]){1|C<3>,1|N<3>,3|H<1>,3|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>}	114.8035	0.095	2	114.6753	0.054	3	114.8940	0.052	9	119.4350	5.925	137	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]2)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]2)(N[6a]C[6a]){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>}	114.4190	0.000	1	114.6753	0.054	3	114.8940	0.052	9	119.4350	5.925	137	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]N[5a])(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	115.0690	0.000	1	115.0690	0.000	1	114.8940	0.052	9	119.4350	5.925	137	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(CC)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]C)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C)(O[5a]C[5a]){1|C<2>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(CC){1|N<2>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]C)(N[5a]C[5a]){1|C<2>,1|O<2>,2|C<3>}	125.5745	0.684	2	125.5745	0.468	2	125.5745	0.468	2	119.4350	5.925	137	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(CN)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(S[5a]C[5a]){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(CN){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<2>,1|C<3>,1|H<1>,1|O<1>}	119.5340	0.000	1	119.5340	0.000	1	119.5340	0.000	1	119.4350	5.925	137	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]O)(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(OH)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]O)(S[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]O)(S[5a]N[5a]){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]O)(S[5a]N[5a]){1|C<3>,1|H<1>,1|O<2>}	121.1080	0.000	1	121.1080	0.000	1	121.1080	0.000	1	119.4350	5.925	137	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]O)(S[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]O)(OC)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]O)(S[5a]S[5a]){1|O<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]O)(OC){1|N<2>,1|S<2>,2|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(N[5a]S[5a]){1|H<1>,1|O<2>,3|C<3>}	121.3650	0.000	1	121.3650	0.000	1	121.8325	0.437	2	119.4350	5.925	137	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]O)(S[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]O)(OH)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]O)(S[5a]S[5a]){1|O<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]O)(OH){1|N<2>,1|S<2>,2|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(N[5a]S[5a]){1|H<1>,1|O<2>,3|C<3>}	122.3000	0.000	1	122.3000	0.000	1	121.8325	0.437	2	119.4350	5.925	137	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]O[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]O[5a]N)(C[6a]C[6a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]O[5a]){2|C<3>,2|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CN){1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]O[5a]N)(C[6a]C[6a]N){1|C<2>,1|C<3>,1|H<1>}	120.7355	0.694	2	120.7355	0.481	2	120.7355	0.481	2	122.7916	4.136	41	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]N[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]N[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|N<3>,2|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]N[6a]){1|N<3>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]N[6a]C){1|C<4>,1|N<2>,1|N<3>,3|C<3>}	119.3870	0.000	1	119.3870	0.000	1	119.3870	0.000	1	122.7916	4.136	41	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(OC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]N[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(OC){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	119.9805	0.134	2	119.9805	0.018	2	119.9805	0.018	2	122.7916	4.136	41	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C[6])(OC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]C[5a]){1|O<2>,2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C[6])(OC){1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	120.1810	0.000	1	120.1810	0.000	1	120.4280	0.095	6	122.7916	4.136	41	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]C[5a]){1|C<3>,1|S<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OH){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|O<2>,2|H<1>}	120.0390	0.000	1	120.0390	0.000	1	120.4280	0.095	6	122.7916	4.136	41	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]N[5a]){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|N<3>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|O<2>}	120.7215	0.235	2	120.7215	0.055	2	120.4280	0.095	6	122.7916	4.136	41	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]N[5a]){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|N<3>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|C<3>,2|O<2>}	120.3230	0.000	1	120.3230	0.000	1	120.4280	0.095	6	122.7916	4.136	41	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]N[5a]){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|N<3>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|O<2>}	120.5820	0.000	1	120.5820	0.000	1	120.4280	0.095	6	122.7916	4.136	41	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(CC)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]C)(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C)(O[5a]C[5a]){1|N<3>,2|C<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(CC){1|C<2>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]C)(C[5a]C[5a]C){1|C<2>,1|C<3>,1|N<3>,1|O<2>}	127.2980	0.512	2	127.2980	0.262	2	127.2980	0.262	2	122.7916	4.136	41	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6,6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6,6a]O)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6,6a]C[6,6])(OH)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6,6a]O)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6,6a]O)(O[5a]C[5a]){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6,6a]C[6,6])(OH){3|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6,6a]O)(C[5a]C[5a]H){1|C<4>,1|O<2>,2|C<3>}	125.6180	0.000	1	125.6180	0.000	1	124.3460	3.236	2	122.7916	4.136	41	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6,6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6,6a]O)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6,6a]C[6])(OC)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6,6a]C)(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6,6a]O)(O[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6,6a]C[6])(OC){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6,6a]C)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	123.0740	0.000	1	123.0740	0.000	1	124.3460	3.236	2	122.7916	4.136	41	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]O)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]O[6a])(OC)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]O)(O[5a]C[5a]){1|C<3>,1|O<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]O[6a])(OC){5|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]H){1|H<1>,1|O<2>,2|C<3>}	123.4980	0.150	2	123.4980	0.022	2	124.3053	1.967	3	122.7916	4.136	41	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]O)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]O[6a])(OC)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]O)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]O)(O[5a]C[5a]){1|C<3>,2|H<1>,2|O<2>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]O[6a])(OC){5|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]O)(C[5a]C[5a]H){1|H<1>,1|O<2>,2|C<3>}	125.9200	0.000	1	125.9200	0.000	1	124.3053	1.967	3	122.7916	4.136	41	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(O[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]2)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(O[5a]C[5a,6a]){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]2)(N[6a]C[6a]){2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>}	122.2830	0.000	1	122.2830	0.000	1	122.2830	0.000	1	122.7916	4.136	41	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(O[5a]C[5a]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]C){1|H<1>,1|O<2>,4|C<3>}	124.2900	0.000	1	124.2900	0.000	1	124.0207	0.511	11	122.7916	4.136	41	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(O[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	123.9920	0.000	1	123.9555	0.003	2	124.0207	0.511	11	122.7916	4.136	41	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(O[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|H<1>,1|O<2>,2|C<3>}	123.9190	0.000	1	123.9555	0.003	2	124.0207	0.511	11	122.7916	4.136	41	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(O[5a]C[5a]){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>}	124.0620	0.000	1	124.0620	0.000	1	124.0207	0.511	11	122.7916	4.136	41	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(O[5a]C[5a]){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]C){1|H<1>,1|O<2>,2|C<3>}	123.3388	0.461	4	123.3388	0.213	4	124.0207	0.511	11	122.7916	4.136	41	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(OC)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(O[5a]C[5a]){1|O<2>,2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(OC){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|H<1>,1|O<2>,2|C<3>}	124.5160	0.000	1	124.5160	0.000	1	124.0207	0.511	11	122.7916	4.136	41	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(OH)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(O[5a]C[5a]){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(OH){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,1|O<2>,2|H<1>}	124.7530	0.000	1	125.0470	0.173	2	124.0207	0.511	11	122.7916	4.136	41	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(OH)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(O[5a]C[5a]){1|O<2>,2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(OH){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|H<1>,1|O<2>,2|C<3>}	125.3410	0.000	1	125.0470	0.173	2	124.0207	0.511	11	122.7916	4.136	41	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]O)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]O)(OC)	C[5a,6a](C[6a,6a]C[6a,6a]O[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]O)(O[5a]C[5a]){1|C<3>,2|H<1>,2|O<2>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]O)(OC){4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]O[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H){1|H<1>,1|O<2>,3|C<3>}	125.0110	0.000	1	125.0110	0.000	1	125.0110	0.000	1	122.7916	4.136	41	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5,6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]C)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]C[5])(CC)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]C)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]C[5])(CC){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]C[6a])(C[5a]C[5a]H){1|C<2>,1|H<1>,4|C<3>}	122.8650	0.000	1	122.8650	0.000	1	122.8650	0.000	1	122.7916	4.136	41	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:C-2:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[6a]C[5a,6a]C)(S[5a]C[5a,5a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]S[5a])(CC)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[6a]C[5a,6a]C)(S[5a]C[5a,5a]){1|C<2>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]S[5a])(CC){2|S<2>,4|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C){1|C<2>,1|S<2>,3|C<3>}	123.2540	0.000	1	123.2540	0.000	1	123.2540	0.000	1	122.7916	4.136	41	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:O-2:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[6a]C[5a,6a]O)(S[5a]C[5a,5a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]S[5a])(OC)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]O)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[6a]C[5a,6a]O)(S[5a]C[5a,5a]){1|O<2>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]S[5a])(OC){2|S<2>,4|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]O){1|O<2>,1|S<2>,3|C<3>}	121.8030	0.361	2	121.8030	0.130	2	121.8030	0.130	2	122.7916	4.136	41	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]O)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(OC)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]O)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]O)(S[5a]C[5a]){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(OC){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]O)(C[5a]C[5a]H){1|O<2>,1|S<2>,2|C<3>}	123.1730	0.000	1	122.8455	0.215	2	122.8455	0.215	2	122.7916	4.136	41	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]O)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(OC)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]O)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]O)(S[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(OC){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]O)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|O<2>,1|S<2>}	122.5180	0.000	1	122.8455	0.215	2	122.8455	0.215	2	122.7916	4.136	41	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]2)(CN)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(S[5a]C[5a]){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]2)(CN){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]O){1|C<2>,1|H<1>,2|C<3>}	121.0850	0.000	1	121.0850	0.000	1	121.0850	0.000	1	122.7916	4.136	41	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]H)(CN)	C[5a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)(S[5a]C[5a]){1|C<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]H)(CN){4|C<3>}	C[5a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H){2|C<2>,4|C<3>}	122.8805	0.231	2	122.8805	0.053	2	122.8805	0.053	2	122.7916	4.136	41	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:S-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]S)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]S)(SC)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]S)(S[5a]C[5a]){1|C<3>,1|H<1>,3|S<2>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]S)(SC){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|S<2>}	121.0790	0.000	1	121.0790	0.000	1	121.0790	0.000	1	122.7916	4.136	41	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[5a,6a]C[6a])(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[5a,6a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[5a,6a]C[6a])(N[5a]C[5a]){5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){1|Cl<1>,1|N<2>,2|H<1>,2|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[5a,6a])(S[5a]C[5a]){1|S<2>,3|C<3>}	119.4060	0.601	2	119.4060	0.361	2	119.4060	0.361	2	119.4060	0.361	2	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6]-3:C[6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C[6])(O[5a]B[5a,6])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6]C[5a,6]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C[6])(O[5a]B[5a,6]){2|H<1>,2|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6]C[5a,6]2)(C[6a]C[6a]H){1|B<4>,1|H<1>,1|O<2>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<3>}	121.8803	0.647	6	121.8803	0.419	6	121.8803	0.419	6	121.8803	0.419	6	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]C[5a])(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(C[5a]C[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]C[5a])(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]C[5a])(N[5a]S[5a]){1|S<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(C[5a]C[5a]S[5a]){1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]C[5a])(N[5a]S[5a]){1|S<2>,4|C<3>}	122.2097	0.543	4	122.2097	0.295	4	122.2097	0.295	4	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[5])(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]Se[5]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[5])(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[5])(N[5a]S[5a]){1|Se<2>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]Se[5]C[5])(C[6a]C[6a]H){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[5])(N[5a]S[5a]){1|Se<2>,1|H<1>,3|C<3>}	121.2930	0.277	2	121.2930	0.077	2	121.2930	0.077	2	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])2(CCC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C)(N[5a]S[5a]){1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])2(CCC){1|C<3>,2|N<2>,2|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C)(N[5a]S[5a]){1|N<2>,2|C<3>}	123.6886	2.286	8	123.6886	5.224	8	123.6886	5.224	8	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[5a])(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])2(C[5a]C[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[5a])(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[5a])(N[5a]S[5a]){1|N<2>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])2(C[5a]C[5a]S[5a]){1|H<1>,2|N<2>,2|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[5a])(N[5a]S[5a]){1|N<2>,1|S<2>,3|C<3>}	123.5935	0.667	10	123.5935	0.445	10	123.5935	0.445	10	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C[5a])(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(C[5a]N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[5a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C[5a])(N[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|S<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(C[5a]N[5a]S[5a]){1|N<2>,1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[5a])(S[5a]C[5a]){1|C<4>,1|S<2>,2|C<3>,2|N<2>}	121.6100	0.000	1	121.6100	0.000	1	121.6100	0.000	1	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a,6]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]N[5a]){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a,6]S[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]N[5a]){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	122.3985	0.381	4	122.3985	0.145	4	121.3241	0.754	51	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]O[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a,6]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]O[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]O[5a]){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a,6]S[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,2|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]O[5a]){1|H<1>,1|S<2>,3|C<3>}	122.0200	0.185	2	122.0200	0.034	2	121.3241	0.754	51	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]O[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]O[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]O[5a]){1|C<2>,1|H<1>,1|S<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]O[5a]){1|H<1>,2|C<3>}	121.5930	0.000	1	121.5930	0.000	1	121.3241	0.754	51	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]O[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]O[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]O[5a]){2|C<3>,3|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]N){1|H<1>,1|N<2>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]O[5a]){1|H<1>,2|C<3>}	124.1940	0.000	1	124.1940	0.000	1	121.3241	0.754	51	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a,6]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a]){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a,6]S[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]S[5a]){1|H<1>,4|C<3>}	121.3930	0.000	1	121.3930	0.000	1	121.3241	0.754	51	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a]){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|S<2>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a]){1|H<1>,2|C<3>}	119.9870	0.000	1	119.9870	0.000	1	121.3241	0.754	51	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a]){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|S<2>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|H<1>,2|C<3>}	122.0520	0.000	1	120.8131	0.274	9	121.3241	0.754	51	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|S<2>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|H<1>,2|C<3>}	120.8110	0.000	1	120.8131	0.274	9	121.3241	0.754	51	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|H<1>,2|C<3>}	120.6578	0.291	6	120.8131	0.274	9	121.3241	0.754	51	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|S<2>,2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|H<1>,2|C<3>}	120.5080	0.000	1	120.8131	0.274	9	121.3241	0.754	51	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a]){1|C<2>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]C){1|C<2>,1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a]){1|C<2>,1|S<2>,3|C<3>}	122.4390	0.649	4	122.4390	0.421	4	121.3241	0.754	51	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a]){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a]){1|H<1>,1|S<2>,3|C<3>}	121.4608	0.886	4	121.3300	0.796	7	121.3241	0.754	51	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a]){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a]){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	120.9800	0.000	1	121.3300	0.796	7	121.3241	0.754	51	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a]){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a]){1|H<1>,1|S<2>,3|C<3>}	121.2435	1.490	2	121.3300	0.796	7	121.3241	0.754	51	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a]){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]S[5a]){1|H<1>,4|C<3>}	122.0810	0.000	1	122.0810	0.000	1	121.3241	0.754	51	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a]){1|C<2>,1|H<1>,1|S<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a]){1|H<1>,2|C<3>}	120.8090	0.000	1	120.8683	0.003	3	121.3241	0.754	51	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a]){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a]){1|H<1>,2|C<3>}	120.8980	0.000	2	120.8683	0.003	3	121.3241	0.754	51	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a]){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H){1|H<1>,1|O<2>,1|S<2>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|H<1>,2|C<3>}	121.3760	0.446	3	121.3760	0.199	3	121.3241	0.754	51	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]N[5a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]N[5a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]S[5a]){1|H<1>,4|C<3>}	120.7994	0.255	13	120.7994	0.065	13	121.3241	0.754	51	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]N[5a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a]){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]N[5a]S[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a]){1|H<1>,1|S<2>,3|C<3>}	121.1380	0.000	1	121.1380	0.000	1	121.3241	0.754	51	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]O[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a,6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]O[5a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]O[5a]){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a,6a]H){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]O[5a]){1|H<1>,4|C<3>}	121.9490	0.000	1	121.9490	0.000	1	121.4580	0.153	4	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a,6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a]){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a,6a]H){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]S[5a]){1|H<1>,4|C<3>}	121.2943	0.263	3	121.2943	0.069	3	121.4580	0.153	4	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]C[5a])(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[5a]C[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]C[5a])(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]C[5a])(N[5a]S[5a]){1|N<2>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[5a]C[5a]S[5a]){1|H<1>,1|S<2>,2|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]C[5a])(N[5a]S[5a]){1|N<2>,1|S<2>,3|C<3>}	122.5050	0.439	4	122.5050	0.193	4	122.5050	0.193	4	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:B[5]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]B[5])(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(B[5]O[5]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]B[5])(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]B[5])(N[5a]S[5a]){1|B<3>,1|C<3>,1|H<1>,2|O<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(B[5]O[5]2){1|C<3>,1|H<1>,1|N<2>,1|S<2>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]B[5])(N[5a]S[5a]){1|B<3>,1|C<3>,1|H<1>,2|O<2>}	121.3845	0.395	2	121.3845	0.156	2	121.3845	0.156	2	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(CCC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]N[6])(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a]){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(CCC){1|C<3>,1|N<2>,1|N<3>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]N[6])(N[5a]S[5a]){1|N<3>,3|C<3>}	121.7900	0.000	1	121.7900	0.000	1	121.7900	0.000	1	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]O[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]O[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]O[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]O[5a]){1|H<1>,2|C<3>}	121.2445	0.264	2	121.2445	0.070	2	121.3824	0.465	17	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]O[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(CCO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]O[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]O[5a]){1|C<3>,2|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(CCO){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]O[5a]){1|H<1>,2|C<3>}	122.7870	0.000	1	122.7870	0.000	1	121.3824	0.465	17	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a]){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCC){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a]){1|H<1>,2|C<3>}	120.2770	0.000	1	120.2770	0.000	1	121.3824	0.465	17	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a]){1|H<1>,1|S<2>,3|C<3>}	121.4150	0.000	2	121.4150	0.000	2	121.3824	0.465	17	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]S[5a]){1|H<1>,4|C<3>}	122.2307	0.099	3	122.2307	0.010	3	121.3824	0.465	17	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a]){1|H<1>,2|C<3>}	121.0533	0.396	8	121.0533	0.157	8	121.3824	0.465	17	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(COO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C)(N[5a]C[5a]){4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(COO){1|H<1>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(O[5a]C[5a]){1|H<1>,5|C<3>}	120.9010	0.127	2	120.9010	0.016	2	119.9677	1.172	4	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(COO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(COO){1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,3|C<3>}	119.0345	0.131	2	119.0345	0.017	2	119.9677	1.172	4	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCO){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|H<1>,3|C<3>}	119.5975	0.251	2	119.5975	0.063	2	119.5975	0.063	2	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]C[5a])(C[5a]C[5a]2)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a]N[5a])(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a]){1|N<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]C[5a])(C[5a]C[5a]2){2|C<4>,2|N<2>,2|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a]N[5a])(N[5a]S[5a]){1|N<2>,1|S<2>,2|C<3>}	123.6585	0.086	2	123.6585	0.007	2	123.6585	0.007	2	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]O[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]O[5a]){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|O<2>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]O[5a]){1|H<1>,2|C<3>}	121.5645	0.182	2	121.5645	0.033	2	121.1462	0.324	72	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]O[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]O[5a]){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|O<2>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]O[5a]){1|H<1>,2|C<3>}	123.6830	0.000	1	123.6830	0.000	1	121.1462	0.324	72	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]I)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]S[5a]){1|H<1>,1|I<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|S<2>,2|H<1>,2|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]I)(N[5a]S[5a]){1|H<1>,2|C<3>}	121.0380	0.000	1	121.0380	0.000	1	121.1462	0.324	72	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]S[5a]){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,1|S<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|H<1>,2|C<3>}	120.6850	0.000	1	120.6850	0.000	1	121.1462	0.324	72	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]S[5a]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|S<2>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	120.9945	0.344	13	121.0359	0.113	15	121.1462	0.324	72	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]S[5a]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|S<2>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a]){1|H<1>,1|S<2>,3|C<3>}	121.3045	0.046	2	121.0359	0.113	15	121.1462	0.324	72	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]S[5a]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|S<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]S[5a]){1|H<1>,4|C<3>}	120.2760	0.000	1	121.3125	0.257	16	121.1462	0.324	72	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]S[5a]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|S<2>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]S[5a]){1|H<1>,4|C<3>}	121.3816	0.440	15	121.3125	0.257	16	121.1462	0.324	72	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]S[5a]){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|S<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]S[5a]){1|C<4>,2|C<3>}	121.1940	0.000	1	121.1940	0.000	1	121.1462	0.324	72	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]S[5a]){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|S<2>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a]){1|H<1>,2|C<3>}	121.1825	0.564	21	121.1216	0.304	24	121.1462	0.324	72	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]S[5a]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|S<2>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a]){1|H<1>,2|C<3>}	120.6950	0.075	3	121.1216	0.304	24	121.1462	0.324	72	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]S[5a]){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|S<2>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|H<1>,2|C<3>}	120.7650	0.000	1	120.7650	0.000	1	121.1462	0.324	72	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]S[5a]){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|S<2>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a]){1|H<1>,2|C<3>}	120.9719	0.311	9	120.9719	0.097	9	121.1462	0.324	72	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6a])(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]S[5a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]N[6a]H){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6a])(N[5a]S[5a]){4|C<3>}	119.8320	0.000	1	119.8320	0.000	1	121.1462	0.324	72	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|S<2>,2|F<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){2|C<3>,2|H<1>}	119.6480	0.000	1	119.6480	0.000	1	120.4955	1.437	2	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|O<2>,1|S<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(S[5a]C[5a]){1|C<4>,1|O<2>,4|C<3>}	121.3430	0.000	1	121.3430	0.000	1	120.4955	1.437	2	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(NOO)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a]N[5a])(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a]){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(NOO){1|C<3>,1|S<2>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a]N[5a])(N[5a]S[5a]){1|C<3>,1|N<2>,1|N<3>,1|S<2>}	119.3700	0.000	1	119.3700	0.000	1	119.3700	0.000	1	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]O[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]O[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]O[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]O[5a]){1|H<1>,1|N<3>,3|C<3>}	121.3630	0.000	1	121.3630	0.000	1	120.4863	3.398	46	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]O[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]O[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]O[5a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]O[5a]){1|C<3>,1|H<1>,1|N<3>}	122.2605	0.351	2	122.2605	0.124	2	120.4863	3.398	46	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]O[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]O[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]O[5a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]O[5a]){1|C<3>,1|H<1>,1|N<3>}	123.1493	0.451	3	123.1493	0.203	3	120.4863	3.398	46	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]O[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]O[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]O[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO){1|C<3>,1|N<2>,1|N<3>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]O[5a]){2|C<3>,3|N<3>}	118.6570	0.000	1	118.6570	0.000	1	120.4863	3.398	46	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]O[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]O[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]O[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO){1|C<3>,1|N<2>,1|N<3>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]O[5a]){1|C<3>,2|N<3>}	118.0720	0.000	1	118.0720	0.000	1	120.4863	3.398	46	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]O[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]O[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]O[5a]){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]O[5a]){1|C<3>,1|H<1>,1|N<3>}	118.1520	0.000	1	118.8060	0.524	7	120.4863	3.398	46	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]O[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]O[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]O[5a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]O[5a]){1|C<3>,1|H<1>,1|N<3>}	118.9150	0.728	6	118.8060	0.524	7	120.4863	3.398	46	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]O[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[5])(N[5a]O[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]O[5a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[5])(N[5a]O[5a]){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	119.4620	0.000	1	119.4620	0.000	1	120.4863	3.398	46	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]O[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6])(N[5a]O[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]O[5a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6])(N[5a]O[5a]){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	119.9800	0.566	3	119.9800	0.321	3	120.4863	3.398	46	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]O[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]S)(N[5a]O[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]O[5a]){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]S)(N[5a]O[5a]){1|C<3>,1|H<1>,1|N<3>}	118.0340	0.139	2	118.0340	0.019	2	120.4863	3.398	46	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(NC[5]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a]){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(NC[5]H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|C<3>,1|H<1>,1|N<3>}	122.1185	0.729	2	122.1185	0.531	2	120.4863	3.398	46	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]S[5a]){1|H<1>,1|N<3>,3|C<3>}	122.0590	0.000	1	122.0590	0.000	1	120.4863	3.398	46	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a]){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|C<3>,1|H<1>,1|N<3>}	121.4368	0.154	4	121.4368	0.024	4	120.4863	3.398	46	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[3x6]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[3x6]H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]S[5a]){1|H<1>,1|N<3>,3|C<3>}	123.2490	0.000	1	123.2490	0.000	1	120.4863	3.398	46	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[6a]2){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]S[5a]){1|H<1>,1|N<3>,3|C<3>}	121.0690	0.000	1	121.0690	0.000	1	120.4863	3.398	46	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]S[5a]){1|H<1>,1|N<3>,3|C<3>}	121.8358	0.437	6	121.8358	0.191	6	120.4863	3.398	46	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a]){1|C<3>,1|H<1>,1|N<3>}	121.2535	0.327	2	121.2535	0.107	2	120.4863	3.398	46	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6])(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6])(N[5a]S[5a]){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	121.5810	0.000	1	121.5810	0.000	1	120.4863	3.398	46	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a]){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|C<3>,1|H<1>,1|N<3>}	121.2375	0.359	2	121.2375	0.129	2	120.4863	3.398	46	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a]){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a]){1|C<3>,1|H<1>,1|N<3>}	117.2665	0.118	2	117.2665	0.014	2	120.4863	3.398	46	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a]){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|C<3>,1|H<1>,1|N<3>}	117.2445	0.087	2	117.2445	0.008	2	120.4863	3.398	46	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NZnC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a]){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NZnC){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|C<3>,1|H<1>,1|N<3>}	120.2350	0.000	1	120.2350	0.000	1	120.4863	3.398	46	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHS)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHS){1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	121.3470	0.038	2	121.3470	0.001	2	121.3470	0.001	2	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|H<1>,2|N<3>}	115.1040	0.000	1	115.1040	0.000	1	115.1040	0.000	1	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|N<3>,2|H<1>}	114.8500	0.000	1	114.8500	0.000	1	114.8500	0.000	1	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[5])(N[5a]O[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[5]C[5]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]O[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[5])(N[5a]O[5a]){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|N<2>,1|O<2>,2|C<4>,5|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]O[5a]){1|C<3>,1|H<1>,1|N<3>}	122.5880	0.000	1	122.5880	0.000	1	120.9345	5.468	2	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[5])(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[5]C[5]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[5])(N[5a]S[5a]){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[5]C[5]2){1|H<1>,1|N<2>,1|S<2>,2|O<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|C<3>,1|H<1>,1|N<3>}	119.2810	0.000	1	119.2810	0.000	1	120.9345	5.468	2	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[6]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6])(N[5a]O[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6]C[6]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]O[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6])(N[5a]O[5a]){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|N<2>,1|O<2>,2|C<4>,5|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]O[5a]){1|C<3>,1|H<1>,1|N<3>}	122.4757	0.136	3	122.4757	0.019	3	121.9098	0.632	5	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[6]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6])(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6]C[6]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6])(N[5a]S[5a]){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|N<2>,1|S<2>,2|C<4>,5|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a]){1|C<3>,1|H<1>,1|N<3>}	121.2710	0.000	1	121.2710	0.000	1	121.9098	0.632	5	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[6]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6])(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6]C[6]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6])(N[5a]S[5a]){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|N<2>,1|S<2>,2|C<4>,5|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a]){1|C<3>,1|H<1>,1|N<3>}	120.8510	0.000	1	120.8510	0.000	1	121.9098	0.632	5	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[5a])(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[5a])(N[5a]S[5a]){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a]){1|C<3>,1|H<1>,1|N<3>}	119.8375	0.016	2	119.8375	0.000	2	120.0118	0.068	6	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[5a])(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[5a])(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[5a])(N[5a]S[5a]){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[5a])(N[5a]S[5a]){1|H<1>,1|N<3>,3|C<3>}	120.0990	0.288	4	120.0990	0.083	4	120.0118	0.068	6	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-3:N-3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(NHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(NHH){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|H<1>,1|O<1>,2|N<3>}	120.6000	0.346	2	120.6000	0.120	2	120.6000	0.120	2	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]C[6a])(O[5a]B[5a,5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a,6a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H)(O[5a]B[5a,5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]C[6a])(O[5a]B[5a,5a]){1|H<1>,2|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a,6a]){1|B<4>,1|H<1>,2|O<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H)(O[5a]B[5a,5a]){2|O<2>,3|C<3>}	122.5267	0.501	18	122.5267	0.251	18	122.5267	0.251	18	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CCO)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(O[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CCO){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	124.0910	0.000	1	124.0910	0.000	1	124.0910	0.000	1	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(O[5a]C[5a]){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C)(N[5a]C[5a]){4|C<3>}	124.5905	0.224	2	124.5905	0.050	2	124.8647	0.251	3	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	125.4130	0.000	1	125.4130	0.000	1	124.8647	0.251	3	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5,6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]N)(S[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]S[5])(NOO)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]O)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]N)(S[5a]S[5a]){1|C<3>,1|O<1>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]S[5])(NOO){1|C<3>,2|N<2>,2|S<2>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]O)(N[5a]S[5a]){1|C<3>,1|N<2>,1|N<3>}	120.8120	0.000	1	120.8120	0.000	1	120.8120	0.000	1	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[5a])(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(C[5a]N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C[5a])(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[5a])(S[5a]C[5a]){1|C<4>,1|S<2>,2|C<3>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(C[5a]N[5a]S[5a]){1|N<2>,1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C[5a])(N[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|S<2>}	122.7910	0.000	1	122.7910	0.000	1	122.7910	0.000	1	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(CNN)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(S[5a]N[5a]){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(CNN){1|C<3>,1|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|H<1>,2|C<3>}	120.8990	0.000	1	120.8990	0.000	1	120.9620	0.281	11	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(CNO)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(S[5a]N[5a]){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|H<1>,2|C<3>}	120.8227	0.518	8	120.8227	0.268	8	120.9620	0.281	11	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(COO)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(S[5a]N[5a]){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|H<1>,2|C<3>}	121.5505	0.272	2	121.5505	0.074	2	120.9620	0.281	11	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(S[5a]C[5a]){1|C<2>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|S<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|S<2>,3|C<3>}	121.3040	0.000	1	121.3040	0.000	1	122.4690	2.714	2	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(S[5a]C[5a]){1|C<4>,1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|N<2>,1|O<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|O<2>,4|C<3>}	123.6340	0.000	1	123.6340	0.000	1	122.4690	2.714	2	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:S-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]S)(S[5a]B[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(SBC)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(S[5a]B[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]S)(S[5a]B[5a]){1|Br<1>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(SBC){1|B<3>,1|C<3>,1|H<1>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(S[5a]B[5a]){1|Br<1>,1|C<3>,1|H<1>,1|S<3>}	119.2340	0.000	1	119.2340	0.000	1	119.3853	0.017	3	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:S-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]S)(S[5a]B[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(SBC)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]S)(S[5a]B[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]S)(S[5a]B[5a]){1|Br<1>,1|C<3>,1|H<1>,1|S<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(SBC){1|B<3>,1|C<3>,1|H<1>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]S)(S[5a]B[5a]){1|Br<1>,1|C<3>,1|H<1>,1|S<3>}	119.4610	0.021	2	119.4610	0.000	2	119.3853	0.017	3	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[6a]-3:C[5a,6a]-3:N[5a]-2:	C[6,6,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](C[6a]C[6,6,6a]C[5a])(C[5a,6a]C[6a]N[5a])(N[5a]S[5a])	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])	C[5a,6a](C[6a]C[6,6,6a]C[5a])(C[5a,6a]C[6a]N[5a])(N[5a]S[5a])	C[5a,6a](C[6a]C[6,6,6a]C[5a])(C[5a,6a]C[6a]N[5a])(N[5a]S[5a]){1|C<4>,1|S<2>,3|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a]){1|C<4>,1|N<2>,1|S<2>,2|H<1>,5|C<3>}	C[5a,6a](C[6a]C[6,6,6a]C[5a])(C[5a,6a]C[6a]N[5a])(N[5a]S[5a]){1|C<4>,1|S<2>,3|C<3>}	121.6940	0.000	1	121.6940	0.000	1	121.6940	0.000	1	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[6a]-3:C[5a,6a]-3:N[5a]-2:	C[6,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](C[6a]C[6,6,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]S[5a])	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[6a]C[6,6,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]S[5a])	C[5a,6a](C[6a]C[6,6,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]S[5a]){1|C<4>,4|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|N<2>,1|S<2>,3|H<1>,5|C<3>}	C[5a,6a](C[6a]C[6,6,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]S[5a]){1|C<4>,4|C<3>}	121.7340	0.758	2	121.7340	0.575	2	121.7340	0.575	2	121.3339	2.181	295	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[5a])(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])2(C[5a]C[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[5a])(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[5a])(N[5a]N[5a]){1|C<4>,1|N<3>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])2(C[5a]C[5a]S[5a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>,3|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[5a])(N[5a]N[5a]C){1|N<2>,1|S<2>,3|C<3>}	123.9840	0.324	2	123.9840	0.105	2	123.9840	0.105	2	121.9437	5.552	79	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]C[6a])(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<3>,1|O<2>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a]C){1|H<1>,3|C<3>}	121.5410	0.000	1	121.3230	0.095	2	121.3230	0.095	2	121.9437	5.552	79	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]C[6a])(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a]C){1|H<1>,3|C<3>}	121.1050	0.000	1	121.3230	0.095	2	121.3230	0.095	2	121.9437	5.552	79	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CNO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CNO){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|H<1>,3|C<3>}	118.9175	0.210	2	118.9175	0.044	2	119.5593	1.258	3	121.9437	5.552	79	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(COO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|H<1>,2|C<3>}	120.8430	0.000	1	120.8430	0.000	1	119.5593	1.258	3	121.9437	5.552	79	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]H){1|H<1>,5|C<3>}	121.1187	0.257	3	121.1187	0.066	3	120.3073	0.434	11	121.9437	5.552	79	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,3|C<3>}	119.9543	0.649	4	120.0030	0.213	8	120.3073	0.434	11	121.9437	5.552	79	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,3|C<3>}	120.0517	0.263	4	120.0030	0.213	8	120.3073	0.434	11	121.9437	5.552	79	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]N[5a]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	116.6505	0.168	2	116.6505	0.028	2	116.6505	0.028	2	121.9437	5.552	79	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,2|H<1>}	120.2455	0.254	2	120.2455	0.064	2	119.2644	3.676	8	121.9437	5.552	79	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	120.9380	0.049	2	120.2650	0.648	4	119.2644	3.676	8	121.9437	5.552	79	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>}	119.5920	0.362	2	120.2650	0.648	4	119.2644	3.676	8	121.9437	5.552	79	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO){1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	116.2820	0.024	2	116.2820	0.001	2	119.2644	3.676	8	121.9437	5.552	79	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[5a])(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[5a])(N[5a]C[5a]){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	119.0880	0.000	1	119.0880	0.000	1	119.0880	0.000	1	121.9437	5.552	79	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C[6a])(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C[6a])(O[5a]C[5a]){1|C<2>,1|N<3>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]2){1|C<2>,1|O<2>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|N<3>,1|O<2>,4|C<3>}	127.6540	0.000	1	127.6540	0.000	1	127.6540	0.000	1	121.9437	5.552	79	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[6])(O[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6]C[5a,6]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[6])(O[5a]C[5a,6a]){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6]C[5a,6]2)(C[6a]C[6a]H){1|H<1>,2|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	123.7015	0.042	2	123.7015	0.002	2	123.3999	0.608	7	121.9437	5.552	79	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[6])(O[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6]C[6]N[6])(C[6a]C[6a]Ir)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[6])(O[5a]C[5a,6a]){1|Ir<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6]C[6]N[6])(C[6a]C[6a]Ir){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	122.8070	0.129	2	122.8070	0.017	2	123.3999	0.608	7	121.9437	5.552	79	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[6])(O[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6]C[6]N[6])(C[6a]C[6a]Pt)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[6])(O[5a]C[5a,6a]){1|Pt<4>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6]C[6]N[6])(C[6a]C[6a]Pt){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	123.5940	1.147	3	123.5940	1.315	3	123.3999	0.608	7	121.9437	5.552	79	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]C[6a])(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]C[6a])(O[5a]C[5a]){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|H<1>,1|O<2>,8|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]H){4|C<3>}	124.8515	0.463	2	124.8515	0.215	2	124.8515	0.215	2	121.9437	5.552	79	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CC[6a]O)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CC[6a]O){4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]O){1|C<4>,3|C<3>}	125.4850	0.000	1	125.4850	0.000	1	125.4850	0.000	1	121.9437	5.552	79	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[5a]C[6a])(O[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[5a]C[6a])(O[5a]C[5a,6a]){1|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]2){1|S<2>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a]){2|H<1>,6|C<3>}	124.6780	0.000	1	124.6780	0.000	1	124.6780	0.000	1	121.9437	5.552	79	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[5a,6a]H)(C[6a]C[6a]2){1|O<2>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S){1|C<4>,1|O<2>,1|S<2>,3|C<3>}	126.3950	0.000	1	126.3950	0.000	1	126.3950	0.000	1	121.9437	5.552	79	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a]){1|C<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,3|C<3>}	125.6040	0.000	1	125.6040	0.000	1	125.6815	0.134	4	121.9437	5.552	79	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|H<1>,3|C<3>}	125.4875	0.323	2	125.4875	0.104	2	125.6815	0.134	4	121.9437	5.552	79	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[6a]N[5a])(C[6a]O[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]N[5a]){1|O<1>,1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[6a]N[5a])(C[6a]O[6a]O){4|C<3>}	126.1470	0.000	1	126.1470	0.000	1	125.6815	0.134	4	121.9437	5.552	79	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[5])(O[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]Ir)(N[5]C[5]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[5])(O[5a]C[5a,6a]){1|Ir<6>,1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]Ir)(N[5]C[5]2){1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	122.3487	0.441	3	122.3487	0.194	3	122.3487	0.194	3	121.9437	5.552	79	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:Si[4]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]Si[4])(O[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(Si[4]N[4]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]Si[4])(O[5a]C[5a,6a]){2|H<1>,2|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(Si[4]N[4]2){1|H<1>,2|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|Si<3>,2|H<1>,3|C<3>}	125.1710	0.240	2	125.1710	0.058	2	125.1710	0.058	2	121.9437	5.552	79	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5,6a]C[6a])(S[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5,6a]C[6a])(S[5a]C[5a,6a]){7|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]C[6a]){1|H<1>,7|C<3>}	123.7680	0.000	1	123.7680	0.000	1	123.7680	0.000	1	121.9437	5.552	79	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C[5])(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5]N[5]O[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C[5])(S[5a]N[5a]){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5]N[5]O[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	120.4710	0.000	1	120.4710	0.000	1	120.4710	0.000	1	121.9437	5.552	79	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:B[5]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]B[5])(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(B[5]O[5]2)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]B[5])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]B[5])(S[5a]C[5a]){1|Si<4>,1|B<3>,1|H<1>,2|C<3>,2|O<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(B[5]O[5]2){1|H<1>,1|S<2>,2|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]B[5])(C[5a]C[5a]H){1|Si<4>,1|B<3>,1|C<3>,1|S<2>,2|O<2>}	123.0310	0.202	2	123.0310	0.041	2	123.0310	0.041	2	121.9437	5.552	79	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]N)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(NCC)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]N)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]N)(S[5a]C[5a]){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(NCC){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]N)(C[5a]C[5a]H){1|C<2>,1|C<3>,1|N<3>,1|S<2>}	123.7780	0.000	1	123.7780	0.000	1	123.7780	0.000	1	121.9437	5.552	79	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a]C[6a])(S[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a]C[6a])(S[5a]C[5a,6a]){1|S<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	121.2110	0.000	1	121.2110	0.000	1	121.2110	0.000	1	121.9437	5.552	79	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[6])(S[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6]C[5a,6]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[6])(S[5a]C[5a,6a]){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6]C[5a,6]2)(C[6a]C[6a]H){1|H<1>,2|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	121.4120	0.404	2	121.4120	0.164	2	121.3313	0.334	7	121.9437	5.552	79	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[6])(S[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6]C[6]N[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[6])(S[5a]C[5a,6a]){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6]C[6]N[6])(C[6a]C[6a]H){1|Rh<4>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	121.7650	0.000	1	121.7650	0.000	1	121.3313	0.334	7	121.9437	5.552	79	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[6])(S[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6]C[6]N[6])(C[6a]C[6a]Pt)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[6])(S[5a]C[5a,6a]){1|Pt<4>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6]C[6]N[6])(C[6a]C[6a]Pt){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	121.1825	0.719	4	121.1825	0.517	4	121.3313	0.334	7	121.9437	5.552	79	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]C)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(CC[5]H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]C)(S[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(CC[5]H){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,5|C<3>}	122.6870	0.000	1	122.6870	0.000	1	122.6870	0.000	1	121.9437	5.552	79	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[5a])(S[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[5a])(S[5a]C[5a,6a]){1|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[5a]){1|S<2>,2|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H){1|H<1>,5|C<3>}	121.9020	0.000	1	121.9020	0.000	1	121.9020	0.000	1	121.9437	5.552	79	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(S[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H){1|H<1>,5|C<3>}	122.9402	0.321	4	122.9402	0.103	4	122.9402	0.103	4	121.9437	5.552	79	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:C-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]H)(CCC)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)(S[5a]C[5a]){1|Si<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]H)(CCC){4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H){1|Si<4>,1|H<1>,4|C<3>}	122.1950	0.000	1	122.1950	0.000	1	122.1950	0.000	1	121.9437	5.552	79	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:C[5]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[5])(S[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(C[5]C[5]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[5])(S[5a]C[5a,6a]){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(C[5]C[5]2){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	121.4133	0.132	4	121.4133	0.017	4	121.4133	0.017	4	121.9437	5.552	79	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]2)2	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(S[5a]C[5a]){7|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]2)2{1|S<2>,2|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|S<2>,7|C<3>}	123.0200	0.000	1	123.0200	0.000	1	123.0200	0.000	1	121.9437	5.552	79	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]I)(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(S[5a]C[5a]){1|I<1>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]I)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H){1|H<1>,4|C<3>}	124.4960	0.000	1	124.4960	0.000	1	124.4960	0.000	1	121.9437	5.552	79	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[5])(S[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(N[5]C[5]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[5])(S[5a]C[5a,6a]){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(N[5]C[5]2){1|N<3>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	120.0120	0.000	1	120.1115	0.020	2	120.1115	0.020	2	121.9437	5.552	79	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[5])(S[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(N[5]C[5]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[5])(S[5a]C[5a,6a]){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(N[5]C[5]2){1|Pd<4>,1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	120.2110	0.000	1	120.1115	0.020	2	120.1115	0.020	2	121.9437	5.552	79	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:2:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CHHO)	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a]C[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CHHO){1|C<3>,1|C<4>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|N<3>,2|C<4>}	123.1470	0.130	2	123.1470	0.017	2	123.1470	0.017	2	123.1470	0.017	2	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5,6a]S[5a])(C[6a]C[6a]C)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5,6a]H)(CC3)	C[5a,6a](C[5,6a]C[5,6a]N[5])(C[5a,6a]C[6a]N[5a])(S[5a]S[5a])	C[5a,6a](C[5a,6a]C[5,6a]S[5a])(C[6a]C[6a]C)(N[5a]S[5a]){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5,6a]H)(CC3){1|C<3>,3|S<2>}	C[5a,6a](C[5,6a]C[5,6a]N[5])(C[5a,6a]C[6a]N[5a])(S[5a]S[5a]){1|C<3>,1|C<4>,2|S<2>}	121.4610	0.000	1	121.4610	0.000	1	121.4610	0.000	1	121.5396	3.123	41	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a]){1|C<3>,1|C<4>,1|H<1>}	121.0996	0.332	5	121.0996	0.110	5	121.0996	0.110	5	121.5396	3.123	41	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|H<1>,2|C<4>}	121.0800	0.063	3	121.0800	0.004	3	121.0800	0.004	3	121.5396	3.123	41	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCCH){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	120.1280	0.000	1	120.1280	0.000	1	120.4281	0.522	10	121.5396	3.123	41	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	120.4614	0.758	9	120.4614	0.574	9	120.4281	0.522	10	121.5396	3.123	41	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|Br<1>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(CH3){1|Br<1>,1|C<3>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a]){1|Br<1>,1|C<4>,2|C<3>}	120.9420	0.000	1	120.9420	0.000	1	120.9420	0.000	1	121.5396	3.123	41	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NZnHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a]){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NZnHH){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|C<3>,1|H<1>,1|N<4>}	120.4270	0.000	1	120.4270	0.000	1	120.4270	0.000	1	121.5396	3.123	41	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:Si-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Si)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(SiSiCC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Si)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Si)(N[5a]S[5a]){1|Si<4>,1|C<3>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(SiSiCC){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Si)(N[5a]S[5a]){1|Si<4>,1|C<3>,1|H<1>}	121.7332	0.483	10	121.7332	0.233	10	121.7332	0.233	10	121.5396	3.123	41	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-3:C[4]-4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C[4])(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(C[4]C[4]2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C[4])(N[5a]C[5a]){1|C<3>,2|H<1>,4|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(C[4]C[4]2H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	117.4860	0.122	2	117.4860	0.015	2	117.4860	0.015	2	121.5396	3.123	41	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]I)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|H<1>,1|I<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]I)(N[6a]C[6a]){1|C<4>,3|C<3>}	122.7390	0.000	1	122.7390	0.000	1	122.7390	0.000	1	121.5396	3.123	41	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CC3)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(O[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CC3){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,3|C<4>}	124.2693	0.192	3	124.3102	0.024	5	124.6046	0.276	7	121.5396	3.123	41	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CC3)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(O[5a]C[5a]){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CC3){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|C<4>}	124.3715	0.090	2	124.3102	0.024	5	124.6046	0.276	7	121.5396	3.123	41	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(CC[6]HH)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(O[5a]C[5a]){1|C<3>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(CC[6]HH){1|N<2>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	125.3405	0.209	2	125.3405	0.044	2	124.6046	0.276	7	121.5396	3.123	41	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC[6a]HN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC[6a]HN){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	121.0040	0.000	1	121.0040	0.000	1	120.2449	1.567	7	124.7694	1.937	113	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CF3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CF3){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	119.1280	0.000	1	119.1340	0.000	2	120.2449	1.567	7	124.7694	1.937	113	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CF3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CF3){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>,2|C<4>}	119.1400	0.000	1	119.1340	0.000	2	120.2449	1.567	7	124.7694	1.937	113	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CF3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CF3){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	118.7040	0.000	1	118.7040	0.000	1	120.2449	1.567	7	124.7694	1.937	113	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|C<4>}	121.2570	0.000	1	121.2570	0.000	1	120.2449	1.567	7	124.7694	1.937	113	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,2|C<4>}	121.2405	0.988	2	121.2405	0.976	2	120.2449	1.567	7	124.7694	1.937	113	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[5,6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]C)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]C[5])(CCHH)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]C)(O[5a]C[5a]){2|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]C[5])(CCHH){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]C[6a])(C[5a]C[5a]C){2|C<4>,4|C<3>}	126.1750	0.000	1	126.1750	0.000	1	126.1750	0.000	1	124.7694	1.937	113	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(CCHH)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]Br)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C)(O[5a]C[5a]){1|Br<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(CCHH){1|H<1>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]Br)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	125.0840	0.000	1	125.0840	0.000	1	125.6717	0.260	3	124.7694	1.937	113	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])2(CH3)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C)(O[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<2>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]O[5a])2(CH3){5|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]S){2|C<3>,2|C<4>}	125.9655	0.054	2	125.9655	0.003	2	125.6717	0.260	3	124.7694	1.937	113	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(CH3)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|C<3>,1|S<3>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(CH3){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]C){1|C<3>,1|H<1>,2|C<4>}	126.2985	0.184	6	126.2985	0.034	6	125.0216	0.465	86	124.7694	1.937	113	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(CH3)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(CH3){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>}	125.2700	0.000	1	125.2700	0.000	1	125.0216	0.465	86	124.7694	1.937	113	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CC[5a]HH)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CC[5a]HH){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,3|C<4>}	123.8325	0.218	2	123.8325	0.048	2	125.0216	0.465	86	124.7694	1.937	113	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CC[6a]HH){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,3|C<4>}	123.9677	0.208	4	123.9677	0.043	4	125.0216	0.465	86	124.7694	1.937	113	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|C<3>,1|H<1>,1|S<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]C){1|C<3>,1|H<1>,2|C<4>}	126.5370	0.000	1	126.5370	0.000	1	125.0216	0.465	86	124.7694	1.937	113	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,3|C<4>}	124.3890	0.000	1	124.9340	0.114	67	125.0216	0.465	86	124.7694	1.937	113	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3){1|F<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|F<1>,2|C<4>}	125.1380	0.148	2	124.9340	0.114	67	125.0216	0.465	86	124.7694	1.937	113	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3){1|Br<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>}	125.0732	0.374	5	124.9340	0.114	67	125.0216	0.465	86	124.7694	1.937	113	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,3|C<4>}	124.5355	0.171	8	124.9340	0.114	67	125.0216	0.465	86	124.7694	1.937	113	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3){1|Cl<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|C<4>}	124.9620	0.181	2	124.9340	0.114	67	125.0216	0.465	86	124.7694	1.937	113	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3){1|I<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|I<1>,2|C<4>}	124.7543	0.317	6	124.9340	0.114	67	125.0216	0.465	86	124.7694	1.937	113	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3){1|Br<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>}	125.2587	0.093	4	124.9340	0.114	67	125.0216	0.465	86	124.7694	1.937	113	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,3|C<4>}	124.6271	0.148	8	124.9340	0.114	67	125.0216	0.465	86	124.7694	1.937	113	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3){1|Cl<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|C<4>}	124.9373	0.113	3	124.9340	0.114	67	125.0216	0.465	86	124.7694	1.937	113	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3){1|I<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|I<1>,2|C<4>}	125.1695	0.148	4	124.9340	0.114	67	125.0216	0.465	86	124.7694	1.937	113	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){2|C<3>,2|C<4>}	124.4600	0.000	1	124.9340	0.114	67	125.0216	0.465	86	124.7694	1.937	113	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|S<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3){1|Br<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|C<3>}	125.1608	0.236	6	124.9340	0.114	67	125.0216	0.465	86	124.7694	1.937	113	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|S<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){2|C<3>,2|C<4>}	124.8360	0.617	2	124.9340	0.114	67	125.0216	0.465	86	124.7694	1.937	113	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|S<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3){1|Cl<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|C<3>}	125.0758	0.148	6	124.9340	0.114	67	125.0216	0.465	86	124.7694	1.937	113	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|S<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3){1|F<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<4>,1|F<1>,2|C<3>}	125.1190	0.000	1	124.9340	0.114	67	125.0216	0.465	86	124.7694	1.937	113	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|S<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3){1|I<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<4>,1|I<1>,2|C<3>}	125.1997	0.283	8	124.9340	0.114	67	125.0216	0.465	86	124.7694	1.937	113	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(CH3)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|O<2>,2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(CH3){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,1|H<1>,2|C<4>}	127.9270	0.000	1	127.9270	0.000	1	125.0216	0.465	86	124.7694	1.937	113	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(CH3)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]N[5a]){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(CH3){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	125.4930	0.000	1	125.4930	0.000	1	125.0216	0.465	86	124.7694	1.937	113	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]N[5a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3){1|I<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){1|C<3>,1|I<1>,2|C<4>}	124.5220	0.000	1	124.2175	0.185	2	125.0216	0.465	86	124.7694	1.937	113	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]N[5a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){2|C<3>,2|C<4>}	123.9130	0.000	1	124.2175	0.185	2	125.0216	0.465	86	124.7694	1.937	113	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O[6a])(CH3)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[6a]N[5a])(C[6a]O[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]N[5a]){1|O<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O[6a])(CH3){1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[6a]N[5a])(C[6a]O[6a]O){1|C<4>,3|C<3>}	126.2930	0.000	1	126.2930	0.000	1	125.0216	0.465	86	124.7694	1.937	113	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:N[6a]-3:	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(N[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(N[6a]C[6a]2){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	124.6865	0.078	2	124.6865	0.006	2	124.6865	0.006	2	124.7694	1.937	113	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]O)(CC3)	C[5a,6a](C[6a,6a]C[6a,6a]O[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)(O[5a]C[5a]){1|C<3>,2|H<1>,2|O<2>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]O)(CC3){4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]O[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,3|C<3>}	126.8000	0.000	1	126.8000	0.000	1	126.8000	0.000	1	124.7694	1.937	113	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:Si-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Si)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(SiC3)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Si)(O[5a]C[5a]){1|C<3>,1|O<1>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(SiC3){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Si<4>,1|C<3>,1|H<1>,1|O<1>}	125.4150	0.000	1	125.4150	0.000	1	125.4150	0.000	1	124.7694	1.937	113	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C)(S[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C)(S[5a]C[5a,6a]){1|C<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(CCHH){1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C){1|C<4>,1|F<1>,1|S<2>,3|C<3>}	125.9657	0.150	3	125.7392	0.220	4	125.7956	0.181	5	124.7694	1.937	113	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C)(S[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C)(S[5a]C[5a,6a]){1|C<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(CCHH){1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	125.0600	0.000	1	125.7392	0.220	4	125.7956	0.181	5	124.7694	1.937	113	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C)(S[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]B[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C)(S[5a]C[5a,6a]){1|B<3>,1|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(CH3){1|B<3>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]B[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C){1|C<4>,1|N<3>,1|S<2>,3|C<3>}	126.0210	0.000	1	126.0210	0.000	1	125.7956	0.181	5	124.7694	1.937	113	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(CCHH)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C)(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(CCHH){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C)(C[5a]C[5a]H){1|C<4>,1|S<2>,2|C<3>}	124.5890	0.000	1	124.5890	0.000	1	124.5890	0.000	1	124.7694	1.937	113	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5,6a]C[5a])(C[6a]C[6a]C)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5,6a]C)(CCCH)	C[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5,6a]C[5a])(C[6a]C[6a]C)(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5,6a]C)(CCCH){1|C<4>,3|C<3>}	C[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H){2|C<3>,2|F<1>,3|C<4>}	124.0745	0.556	2	124.0745	0.310	2	124.0097	0.167	3	124.7694	1.937	113	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5,6a]C[5a])(C[6a]C[6a]C)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5,6a]N)(CH3)	C[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5,6a]C[5a])(C[6a]C[6a]C)(S[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5,6a]N)(CH3){1|C<4>,3|C<3>}	C[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	123.8800	0.000	1	123.8800	0.000	1	124.0097	0.167	3	124.7694	1.937	113	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5a,6a]C)(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]Br)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(S[5a]C[5a]){2|Br<1>,1|C<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5a,6a]C)(CCHH){1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]Br){1|Br<1>,1|C<4>,1|H<1>,1|S<2>,2|C<3>}	125.4770	0.000	1	125.4770	0.000	1	125.4905	0.000	2	124.7694	1.937	113	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5a,6a]C)(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(S[5a]C[5a]){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5a,6a]C)(CCHH){1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H){2|Br<1>,1|C<4>,1|S<2>,2|C<3>}	125.5040	0.000	1	125.5040	0.000	1	125.4905	0.000	2	124.7694	1.937	113	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:Si-4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Si)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(SiC3)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]Si)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Si)(S[5a]C[5a]){1|Si<4>,1|C<3>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(SiC3){4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]Si)(C[5a]C[5a]H){1|Si<4>,1|H<1>,2|C<3>}	124.0110	0.000	1	124.0110	0.000	1	124.0110	0.000	1	124.7694	1.937	113	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:4:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[3]-4:N[6a]-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C[3])(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[3]C[3]2H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C[3])(N[5a]C[5a]){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[3]C[3]2H)(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<4>,1|N<2>,2|H<1>}	116.5670	0.000	1	116.5670	0.000	1	116.7430	0.062	2	116.7430	0.062	2	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:4:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[3]-4:N[6a]-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C[3])(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[3]C[3]2H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C[3])(N[5a]C[5a]){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[3]C[3]2H)(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,5|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a]){1|C<4>,1|N<2>,2|H<1>}	116.9190	0.000	1	116.9190	0.000	1	116.7430	0.062	2	116.7430	0.062	2	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:2:2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:S[5a]-2:N[6a]-2:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]O[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(O[6a]C[6a])(O)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a])	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]O[6a]O){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(O[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|S<2>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a]){1|N<3>,1|O<1>,1|O<2>,2|C<4>}	117.9610	0.000	1	117.9610	0.000	1	117.9610	0.000	1	117.2710	1.603	13	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:2:2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:S[6a]-2:O-1:	C[5a,6a]-3:S[5a]-2:N[6a]-2:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]S[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(S[6a]C[6a])(O)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a])	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]S[6a]O){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(S[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|S<2>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a]){1|N<3>,1|O<1>,1|S<2>,2|C<4>}	120.7960	0.000	1	120.7960	0.000	1	120.7960	0.000	1	117.2710	1.603	13	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:2:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]H){1|C<3>,1|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H){1|N<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a])(N[6a]C[6a]){1|C<4>,1|N<2>,3|H<1>}	116.6170	0.000	1	116.6170	0.000	1	116.6170	0.000	1	117.2710	1.603	13	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:2:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C)(C[6a]O[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a])(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C)(C[6a]O[6a]O){1|C<3>,1|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a])(O){1|C<4>,1|N<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a]){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	117.5640	0.000	1	117.5640	0.000	1	117.5640	0.000	1	117.2710	1.603	13	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|Cl<1>,1|C<4>,1|N<2>,2|H<1>}	116.5387	0.174	3	116.5785	0.026	4	116.7134	0.111	5	117.2710	1.603	13	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|C<4>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){2|Cl<1>,1|C<4>,1|H<1>,1|N<2>}	116.6980	0.000	1	116.5785	0.026	4	116.7134	0.111	5	117.2710	1.603	13	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){2|Cl<1>,1|N<2>,2|H<1>}	117.2530	0.000	1	117.2530	0.000	1	116.7134	0.111	5	117.2710	1.603	13	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H){1|C<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|N<2>,4|H<1>}	118.6050	0.000	1	118.6050	0.000	1	118.6050	0.000	1	117.2710	1.603	13	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-2:I-1:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]I)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(I)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]I)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(I){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<4>,1|I<1>,1|N<2>,2|H<1>}	116.2900	0.000	1	116.2900	0.000	1	116.2900	0.000	1	117.2710	1.603	13	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:2:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]C[5a]C[5])(C[6a]N[6a]Cl)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]C[5a]C[5])(C[6a]N[6a]Cl){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|C<4>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){2|Cl<1>,1|C<4>,1|H<1>,1|N<2>}	116.5615	0.262	2	116.5615	0.069	2	116.5615	0.069	2	117.2710	1.603	13	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:F-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]N[6a]F)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(F)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]F)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]N[6a]F){1|F<1>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(F){1|F<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]F){1|N<2>,2|C<3>,2|F<1>}	115.5170	0.000	1	115.5170	0.000	1	115.5170	0.000	1	119.8719	3.906	8	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]O[6a]O)	C[6a](C[5a,6a]C[5a,6a]2)(O[6a]C[6a])(O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(C[6a]C[6a]I)	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]O[6a]O){1|I<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(O[6a]C[6a])(O){1|N<3>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(C[6a]C[6a]I){1|N<2>,1|O<1>,1|O<2>,2|C<3>}	122.5960	0.000	1	122.5960	0.000	1	122.5960	0.000	1	119.8719	3.906	8	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]O[6a]O)	C[6a](C[5a,6a]C[5a,6a]2)(O[6a]C[6a])(O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]O[6a]O){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(O[6a]C[6a])(O){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	120.0386	0.214	5	120.1437	0.103	6	120.1437	0.103	6	119.8719	3.906	8	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]O[6a]O)	C[6a](C[5a,6a]C[5a,6a]2)(O[6a]C[6a])(O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]O[6a]O){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(O[6a]C[6a])(O){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	120.6690	0.000	1	120.1437	0.103	6	120.1437	0.103	6	119.8719	3.906	8	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:2:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(N[6a]C[6a])(Cl)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(N[6a]C[6a])(Cl){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]H)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	113.2390	0.000	1	113.2390	0.000	1	113.2390	0.000	1	118.6702	8.759	41	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[6a,6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[6a]N[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])(H){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]C[5a,6a]){1|N<2>,2|H<1>,4|C<3>}	117.5190	0.436	4	117.5190	0.190	4	117.5190	0.190	4	118.6702	8.759	41	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[6a,6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[6a]O[6a]O)	C[6a](C[5a,6a]C[5a,6a]2)(O[6a]C[6a,6a])(O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[6a]O[6a]O){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(O[6a]C[6a,6a])(O){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]C[5a,6a]){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	120.9727	0.377	3	120.9727	0.142	3	120.9727	0.142	3	118.6702	8.759	41	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]N[6a]H){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H){1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|N<2>,3|H<1>}	117.4320	0.000	1	117.4320	0.000	1	117.4320	0.000	1	118.6702	8.759	41	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]N[6a]H){4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H){1|C<3>,2|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	114.3880	0.000	1	114.3880	0.000	1	115.0710	0.933	2	118.6702	8.759	41	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]H){1|C<3>,1|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H){1|N<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|O<2>,4|H<1>}	115.7540	0.000	1	115.7540	0.000	1	115.0710	0.933	2	118.6702	8.759	41	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]O)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]O)(C[6a]N[6a]H){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(H){2|O<2>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a]){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	118.0060	0.000	1	118.0060	0.000	1	118.0060	0.000	1	118.6702	8.759	41	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[6a]N[5a])(C[6a]O[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a])(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[6a]N[5a])(C[6a]O[6a]O){4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a])(O){1|N<2>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]N[5a]){1|O<1>,1|O<2>,4|C<3>}	118.7350	0.000	1	118.7350	0.000	1	119.2420	0.514	2	118.6702	8.759	41	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[6a]N[5a])(C[6a]O[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a])(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[6a]N[5a])(C[6a]O[6a]O){1|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a])(O){1|N<2>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]N[5a]){1|O<1>,1|O<2>,2|C<3>}	119.7490	0.000	1	119.7490	0.000	1	119.2420	0.514	2	118.6702	8.759	41	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]O)(C[6a]O[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a])(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]O)(C[6a]O[6a]O){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a])(O){1|O<2>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|O<1>,2|C<3>,2|O<2>}	119.4250	0.000	1	119.4250	0.000	1	119.4250	0.000	1	118.6702	8.759	41	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]O[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a])(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]O[6a]O){1|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a])(O){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	118.7850	0.000	1	118.7850	0.000	1	118.5710	0.035	3	118.6702	8.759	41	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]O[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a])(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]O[6a]O){1|C<3>,1|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	118.4640	0.028	2	118.4640	0.001	2	118.5710	0.035	3	118.6702	8.759	41	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]O[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]O[6a]O){1|C<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	122.8820	0.000	1	122.9780	0.018	2	122.9780	0.018	2	118.6702	8.759	41	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]O[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]O[6a]O){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	123.0740	0.000	1	122.9780	0.018	2	122.9780	0.018	2	118.6702	8.759	41	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]O[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]O[6a]O){1|C<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O){1|O<2>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	119.7323	0.186	3	120.0048	0.192	8	120.0548	0.190	9	118.6702	8.759	41	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]O[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]O[6a]O){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O){1|O<2>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a]){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	119.8220	0.127	2	120.0048	0.192	8	120.0548	0.190	9	118.6702	8.759	41	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]O[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]O[6a]O){1|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O){1|O<2>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a]){1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	120.6260	0.000	1	120.0048	0.192	8	120.0548	0.190	9	118.6702	8.759	41	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]O[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]O[6a]O){5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O){1|O<2>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a]){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	120.2855	0.651	2	120.0048	0.192	8	120.0548	0.190	9	118.6702	8.759	41	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]H)(C[6a]O[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]H)(C[6a]O[6a]O){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a]){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	120.4550	0.000	1	120.4550	0.000	1	120.0548	0.190	9	118.6702	8.759	41	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(Cl)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|P<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(Cl){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a]){1|Cl<1>,1|N<2>,1|P<4>,2|H<1>}	113.9700	0.000	1	113.9700	0.000	1	113.9647	0.007	3	118.6702	8.759	41	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(Cl)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(C[5a]N[5a]H){1|C<3>,1|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(Cl){1|H<1>,1|N<3>,1|S<2>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,1|S<2>}	114.0470	0.000	1	113.9620	0.014	2	113.9647	0.007	3	118.6702	8.759	41	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(Cl)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(C[5a]N[5a]H){1|C<3>,1|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(Cl){1|H<1>,1|N<3>,1|S<4>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,1|S<4>}	113.8770	0.000	1	113.9620	0.014	2	113.9647	0.007	3	118.6702	8.759	41	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(Cl)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(C[5a]C[5a]H){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(Cl){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|N<2>,3|H<1>}	113.7350	0.000	1	113.7350	0.000	1	113.7350	0.000	1	118.6702	8.759	41	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]C){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(N[6a]C[6a]){1|Cl<1>,1|C<4>,1|N<2>,2|H<1>}	116.0685	0.006	2	116.0685	0.000	2	116.0685	0.000	2	118.6702	8.759	41	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|O<1>}	115.5840	0.000	1	115.5840	0.000	1	115.5840	0.000	1	118.6702	8.759	41	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	118.6855	0.070	2	118.6855	0.005	2	118.6855	0.005	2	118.6702	8.759	41	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-2:O-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<4>,1|N<2>,1|O<1>,2|H<1>}	122.8060	0.000	1	122.8060	0.000	1	122.8060	0.000	1	118.6702	8.759	41	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]O[6a]O)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(O[6a]C[6a,6a])(O)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]O[6a]O)(N[5a]N[5a]C){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(O[6a]C[6a,6a])(O){1|C<4>,2|C<3>,2|N<2>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	124.6530	0.000	1	124.6530	0.000	1	124.6530	0.000	1	118.6702	8.759	41	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:2:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]O[6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(O[6a]C[6a,6a])(O)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]O[6a]O){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(O[6a]C[6a,6a])(O){1|N<2>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6]){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	125.4130	0.000	1	125.4130	0.000	1	125.4130	0.000	1	118.6702	8.759	41	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]Cl)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])(Cl)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]Cl){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])(Cl){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H){1|Cl<1>,1|H<1>,1|N<2>,4|C<3>}	115.8160	0.000	1	115.8160	0.000	1	115.8160	0.000	1	120.4869	5.517	56	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H){1|N<2>,2|H<1>,4|C<3>}	117.0795	1.623	2	117.0795	2.634	2	117.0795	2.634	2	120.4869	5.517	56	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	118.1090	0.000	1	118.1090	0.000	1	118.0095	0.076	4	120.4869	5.517	56	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]H){1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(H){1|Br<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	117.9920	0.000	1	117.9920	0.000	1	118.0095	0.076	4	120.4869	5.517	56	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	117.9685	0.462	2	117.9685	0.213	2	118.0095	0.076	4	120.4869	5.517	56	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a,6a]C[6a])(C[5a,6a]N[5a,5a]C[6a])(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(H)	C[5a,6a](N[5a,5a]C[5a,5a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a,6a]C[6a])(C[5a,6a]N[5a,5a]C[6a])(C[6a]N[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	118.6565	2.838	2	118.6565	8.052	2	118.6565	8.052	2	120.4869	5.517	56	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]O[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(O[6a]C[6a,6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]O[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(O[6a]C[6a,6a])(H){5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C){1|O<2>,2|H<1>,4|C<3>}	122.9715	1.702	2	122.9715	2.897	2	122.9715	2.897	2	120.4869	5.517	56	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|N<2>,4|H<1>}	117.4790	0.031	2	117.4790	0.001	2	117.4840	0.001	3	120.4869	5.517	56	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|N<2>,3|H<1>}	117.4940	0.000	1	117.4940	0.000	1	117.4840	0.001	3	120.4869	5.517	56	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H){1|N<2>,3|C<3>,3|H<1>}	117.4830	0.000	1	117.4830	0.000	1	117.4830	0.000	1	120.4869	5.517	56	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|N<2>,2|H<1>,3|C<3>}	116.9020	0.000	1	116.9020	0.000	1	116.9020	0.000	1	120.4869	5.517	56	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]O[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]O[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a])(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<3>,1|O<2>,3|H<1>}	120.2470	0.000	1	120.2470	0.000	1	120.2470	0.000	1	120.4869	5.517	56	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]O[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a])(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]I)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]O[6a]O){1|I<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a])(O){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]I){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	122.6790	0.000	1	122.6790	0.000	1	122.6790	0.000	1	120.4869	5.517	56	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]S[5a]N)(C[6a]O[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a,6a]C[6a,6a]2)(C[5a]S[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]S[5a]N)(C[6a]O[6a]O){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O){1|N<3>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a,6a]C[6a,6a]2)(C[5a]S[5a]C){1|N<3>,1|O<1>,1|O<2>,3|C<3>}	123.7780	0.000	1	123.7780	0.000	1	123.7780	0.000	1	120.4869	5.517	56	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]O[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a])(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]O[6a]O){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a])(O){1|N<3>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	119.5780	0.000	1	119.5780	0.000	1	119.5780	0.000	1	120.4869	5.517	56	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[6a,6a]-3:C[5,5a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5,5a])(C[5a]N[5,5a]C[6a])(C[6a]O[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(C[5a,6a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]C[5,5a])(C[5a]N[5,5a]C[6a])(C[6a]O[6a]O){1|C<4>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O){1|N<3>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(C[5a,6a]C[5a]C[6a]){1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	121.7420	0.000	1	121.7420	0.000	1	121.7420	0.000	1	120.4869	5.517	56	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[6a]O[5a])(C[6a]O[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[6a]O[5a])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[6a]O[5a])(C[6a]O[6a]O){5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O){1|O<2>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[6a]O[5a]){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	121.7270	0.000	1	121.7270	0.000	1	122.2137	0.679	3	120.4869	5.517	56	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]N[5a]C)(C[6a]O[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]N[5a]C)(C[6a]O[6a]O){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O){1|N<3>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]N[5a]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	121.7490	0.000	1	121.7490	0.000	1	122.2137	0.679	3	120.4869	5.517	56	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]O[5a]C)(C[6a]O[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[6a]O[5a])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]O[5a]C)(C[6a]O[6a]O){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O){1|O<2>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[6a]O[5a]){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	123.1650	0.000	1	123.1650	0.000	1	122.2137	0.679	3	120.4869	5.517	56	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a,6]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6])(C[5a]C[5a,6]H)(C[6a]O[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6])(C[5a]C[5a,6]H)(C[6a]O[6a]O){1|B<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6]){1|N<3>,1|O<1>,1|O<2>,2|F<1>,2|H<1>,3|C<3>}	123.1760	0.000	1	123.1760	0.000	1	123.1760	0.000	1	120.4869	5.517	56	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]O[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]O[6a]O){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	120.5655	0.595	2	120.5655	0.354	2	120.8405	0.897	6	120.4869	5.517	56	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]O[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]O[6a]O){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O){1|N<3>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	120.1695	0.525	2	120.1695	0.276	2	120.8405	0.897	6	120.4869	5.517	56	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C)(C[6a]O[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C)(C[6a]O[6a]O){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	121.0740	0.000	1	121.0740	0.000	1	120.8405	0.897	6	120.4869	5.517	56	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]O[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]O[6a]O){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a]){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	122.4990	0.000	1	122.4990	0.000	1	120.8405	0.897	6	120.4869	5.517	56	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-2:Br-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]Br)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(Br)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]Br)(N[5a]C[5a]S){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(Br){1|S<4>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){1|Br<1>,1|N<2>,1|S<4>,2|C<3>,2|H<1>}	117.5700	0.000	1	117.5700	0.000	1	117.5700	0.000	1	120.4869	5.517	56	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H){1|Cl<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	120.7280	0.000	1	120.7280	0.000	1	121.2195	0.483	2	120.4869	5.517	56	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]N[6a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]N[6a])(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]N[6a]O){1|C<3>,1|N<2>,3|H<1>}	121.7110	0.000	1	121.7110	0.000	1	121.2195	0.483	2	120.4869	5.517	56	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]H)(N[5a]C[5a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(H){1|H<1>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){1|N<2>,3|C<3>,3|H<1>}	121.2480	0.000	1	121.3585	0.024	2	121.4857	0.061	3	120.4869	5.517	56	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]H)(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(H){1|H<1>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){1|N<2>,2|C<3>,4|H<1>}	121.4690	0.000	1	121.3585	0.024	2	121.4857	0.061	3	120.4869	5.517	56	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]H)(N[5a]C[5a]S){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(H){1|S<4>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){1|N<2>,1|S<4>,2|C<3>,3|H<1>}	121.7400	0.000	1	121.7400	0.000	1	121.4857	0.061	3	120.4869	5.517	56	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]O[6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(O[6a]C[6a,6a])(O)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]O[6a]O){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(O[6a]C[6a,6a])(O){5|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|O<1>,1|O<2>,7|C<3>}	126.1640	0.000	1	126.1640	0.000	1	126.1640	0.000	1	120.4869	5.517	56	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]O[6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(O[6a]C[6a,6a])(O)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]O[6a]O){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(O[6a]C[6a,6a])(O){5|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[6a]){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	125.4540	0.000	1	125.4540	0.000	1	125.4540	0.000	1	120.4869	5.517	56	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:Br-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]N[6a]Br)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Br)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]N[6a]Br){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Br){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|N<2>,1|S<4>,2|C<3>,2|H<1>}	118.6300	0.000	1	118.6300	0.000	1	118.6300	0.000	1	120.4869	5.517	56	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]N[6a]H){4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){1|N<2>,1|N<3>,2|H<1>,5|C<3>}	119.9180	0.000	1	119.9180	0.000	1	120.3874	0.672	11	120.4869	5.517	56	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	121.0540	0.000	1	121.0540	0.000	1	120.3874	0.672	11	120.4869	5.517	56	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]H){1|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	121.8470	0.068	2	121.2233	1.169	3	120.3874	0.672	11	120.4869	5.517	56	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]H){1|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|N<2>,3|C<3>,3|H<1>}	119.9760	0.000	1	121.2233	1.169	3	120.3874	0.672	11	120.4869	5.517	56	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|C<3>,3|H<1>}	119.6595	0.179	2	119.9365	0.080	6	120.3874	0.672	11	120.4869	5.517	56	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	120.0265	0.275	2	119.9365	0.080	6	120.3874	0.672	11	120.4869	5.517	56	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	120.1235	0.227	2	119.9365	0.080	6	120.3874	0.672	11	120.4869	5.517	56	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]O[6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(O[6a]C[6a])(O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]O[6a]O){1|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(O[6a]C[6a])(O){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	123.5867	0.473	3	123.5867	0.224	3	123.5867	0.224	3	120.4869	5.517	56	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]O[6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(O[6a]C[6a,6a])(O)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]O[6a]O){6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(O[6a]C[6a,6a])(O){5|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[6a]){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	121.6920	0.000	1	121.6920	0.000	1	121.2695	0.357	2	120.4869	5.517	56	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]O[6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(O[6a]C[6a,6a])(O)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]O[6a]O){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(O[6a]C[6a,6a])(O){5|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	120.8470	0.000	1	120.8470	0.000	1	121.2695	0.357	2	120.4869	5.517	56	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:2:	3:2:2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:O-2:	C[5a,6a]-3:S[5a]-2:N[6a]-2:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(OC)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a])	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(OC){1|C<4>,1|N<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a]){1|C<3>,1|N<2>,1|O<2>,2|C<4>}	113.4330	0.000	1	113.4330	0.000	1	112.9464	0.122	5	116.0338	4.644	18	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:2:	3:2:2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:O-2:	C[5a,6a]-3:S[5a]-2:N[6a]-2:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(OS)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a])	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(OS){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a]){1|H<1>,1|N<2>,1|O<2>,2|C<4>}	113.0650	0.000	1	112.8247	0.064	4	112.9464	0.122	5	116.0338	4.644	18	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:2:	3:2:2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:O-2:	C[5a,6a]-3:S[5a]-2:N[6a]-2:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(OS)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a])	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(OS){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|S<2>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a]){1|N<2>,1|N<3>,1|O<2>,2|C<4>}	112.5510	0.000	1	112.8247	0.064	4	112.9464	0.122	5	116.0338	4.644	18	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:2:	3:2:2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:O-2:	C[5a,6a]-3:S[5a]-2:N[6a]-2:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(OS)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a])	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(OS){1|C<3>,1|C<4>,1|N<2>,2|S<2>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a]){1|N<2>,1|O<2>,1|S<2>,2|C<4>}	112.8415	0.245	2	112.8247	0.064	4	112.9464	0.122	5	116.0338	4.644	18	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:2:	3:2:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:O-2:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC){1|N<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a])(N[6a]C[6a]){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	116.2500	0.656	2	116.2500	0.431	2	116.2500	0.431	2	116.0338	4.644	18	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:2:	3:2:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:S-2:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]S)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(SC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]S){1|C<3>,1|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(SC){1|H<1>,1|N<3>,1|S<2>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,2|S<2>}	116.4478	0.478	5	116.4478	0.229	5	116.4478	0.229	5	116.0338	4.644	18	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:2:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-2:C-2:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<2>,1|C<4>,1|N<2>,2|H<1>}	118.6600	0.000	1	118.3287	0.136	3	118.1780	0.182	4	116.0338	4.644	18	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:2:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-2:C-2:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC){1|C<3>,1|C<4>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<2>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	118.1630	0.328	2	118.3287	0.136	3	118.1780	0.182	4	116.0338	4.644	18	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:2:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-2:C-2:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CN){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<2>,1|C<4>,1|N<2>,2|H<1>}	117.7260	0.000	1	117.7260	0.000	1	118.1780	0.182	4	116.0338	4.644	18	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:2:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-2:O-2:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	118.4060	0.000	1	118.2125	0.075	2	118.2125	0.075	2	116.0338	4.644	18	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:2:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-2:O-2:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|I<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|I<1>,1|N<2>,1|O<2>}	118.0190	0.000	1	118.2125	0.075	2	118.2125	0.075	2	116.0338	4.644	18	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:O-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	114.4540	0.000	1	114.4540	0.000	1	114.9960	0.200	9	115.1726	0.377	23	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:O-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]){1|N<2>,1|N<3>,1|O<2>,2|H<1>}	114.6740	0.000	1	114.6740	0.000	1	114.9960	0.200	9	115.1726	0.377	23	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:O-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC){1|H<1>,2|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	115.6620	0.000	1	115.6620	0.000	1	114.9960	0.200	9	115.1726	0.377	23	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:O-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC){1|H<1>,1|N<3>,1|S<2>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,1|O<2>,1|S<2>}	114.7997	0.393	3	115.0290	0.151	6	114.9960	0.200	9	115.1726	0.377	23	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:O-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC){1|H<1>,1|N<3>,1|S<4>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,1|O<2>,1|S<4>}	115.1570	0.260	2	115.0290	0.151	6	114.9960	0.200	9	115.1726	0.377	23	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:O-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC){1|N<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|N<2>,1|O<2>,2|H<1>}	115.4610	0.000	1	115.0290	0.151	6	114.9960	0.200	9	115.1726	0.377	23	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:S-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]S)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(SC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]S){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(SC){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|S<2>}	113.3230	0.000	1	113.3230	0.000	1	115.2861	0.480	14	115.1726	0.377	23	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:S-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]S)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(SC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]S){1|C<3>,1|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(SC){1|H<1>,1|N<3>,1|S<2>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,2|S<2>}	115.3274	0.347	11	115.3786	0.141	12	115.2861	0.480	14	115.1726	0.377	23	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:S-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]S)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(SC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]S){1|C<3>,1|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(SC){1|N<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|N<2>,1|S<2>,2|H<1>}	115.9420	0.000	1	115.3786	0.141	12	115.2861	0.480	14	115.1726	0.377	23	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:S-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]S)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(SC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(SC){1|N<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a]){1|N<2>,1|S<2>,2|H<1>}	116.1400	0.000	1	116.1400	0.000	1	115.2861	0.480	14	115.1726	0.377	23	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:3:	3:2:2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N[6]-3:	C[5a,6a]-3:S[5a]-2:N[6a]-2:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]N[6])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(N[6]C[6]2)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a])	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]N[6]){1|C<3>,2|H<1>,4|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(N[6]C[6]2){1|C<3>,1|N<2>,1|S<2>,3|C<4>,5|H<1>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<4>}	114.1455	0.084	2	114.1455	0.007	2	114.1455	0.007	2	117.3803	3.195	18	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:3:	3:2:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:O[5a]-2:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]O[5a])(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(NC[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]O[5a])(C[6a]N[6a]N){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(NC[6a]H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	114.2960	0.000	1	114.2960	0.000	1	114.2960	0.000	1	117.3803	3.195	18	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:3:	3:2:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|N<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	117.9460	0.000	1	117.9460	0.000	1	117.9460	0.000	1	117.3803	3.195	18	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:N[5]-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N[5])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(N[5]C[5]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N[5])(C[5a]N[5a]H){1|C<3>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(N[5]C[5]2){1|N<3>,1|S<2>,2|C<4>,2|N<2>,5|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|S<2>}	116.5380	0.140	2	116.5380	0.020	2	116.5380	0.020	2	117.3803	3.195	18	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	118.9430	0.000	1	118.9430	0.000	1	118.5122	0.746	10	117.3803	3.195	18	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|C<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|N<2>,1|N<3>,3|H<1>}	118.1244	0.690	7	118.1244	0.477	7	118.5122	0.746	10	117.3803	3.195	18	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|N<2>,1|N<3>,3|H<1>}	119.6540	0.082	2	119.6540	0.007	2	118.5122	0.746	10	117.3803	3.195	18	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:3:	3:2:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]C[5a]Rh)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]C[5a]Rh)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|Rh<5>,1|C<3>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|Rh<5>,1|H<1>,1|N<2>,2|N<3>}	115.9680	0.000	1	115.9680	0.000	1	117.0575	2.374	2	117.3803	3.195	18	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:3:	3:2:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]N[5a]C[5])(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]N[5a]C[5])(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<4>,1|H<1>,3|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	118.1470	0.000	1	118.1470	0.000	1	117.0575	2.374	2	117.3803	3.195	18	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(NC[6]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(NC[6]C){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	114.8310	0.000	1	114.8310	0.000	1	114.8310	0.000	1	115.8484	1.745	48	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]H)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	117.0440	0.000	1	117.0440	0.000	1	117.0440	0.000	1	115.8484	1.745	48	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NCC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]N){1|C<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NCC){1|C<3>,1|N<2>,1|N<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,3|C<4>}	113.9370	0.000	1	113.9370	0.000	1	115.6767	0.833	35	115.8484	1.745	48	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<2>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<2>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	115.5190	0.000	1	115.5190	0.000	1	115.6767	0.833	35	115.8484	1.745	48	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[3])(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[3])(C[6a]N[6a]N){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|N<2>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	115.4890	0.000	1	115.4890	0.000	1	115.6767	0.833	35	115.8484	1.745	48	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]Cl)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NCC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]Cl)(C[6a]N[6a]N){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NCC){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a]){1|Cl<1>,1|N<2>,1|N<3>,2|H<1>}	113.8260	0.000	1	113.8260	0.000	1	115.6767	0.833	35	115.8484	1.745	48	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]Cl)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]Cl)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	116.3890	0.000	1	115.9825	0.330	2	115.6767	0.833	35	115.8484	1.745	48	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]Cl)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]Cl)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|Cl<1>,1|C<3>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|Cl<1>,1|C<4>,1|N<2>,1|O<2>,2|H<1>,2|N<3>}	115.5760	0.000	1	115.9825	0.330	2	115.6767	0.833	35	115.8484	1.745	48	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]F)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]F)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<3>,1|F<1>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|F<1>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	116.6677	0.633	3	116.6677	0.400	3	115.6767	0.833	35	115.8484	1.745	48	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NC[4]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]N){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NC[4]C){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,3|H<1>}	114.8680	0.000	1	114.8680	0.000	1	115.6767	0.833	35	115.8484	1.745	48	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<3>,1|F<1>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|F<1>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	115.5540	0.000	1	116.1240	0.650	2	115.6767	0.833	35	115.8484	1.745	48	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,4|H<1>}	116.6940	0.000	1	116.1240	0.650	2	115.6767	0.833	35	115.8484	1.745	48	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]I)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]I)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|I<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|I<1>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	115.8320	0.640	3	115.8320	0.410	3	115.6767	0.833	35	115.8484	1.745	48	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]Br)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]Br)(C[6a]N[6a]N){1|C<3>,1|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|Br<1>,1|H<1>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a]){1|Br<1>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	116.9010	0.000	1	116.8500	0.005	2	115.6767	0.833	35	115.8484	1.745	48	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]Br)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]Br)(C[6a]N[6a]N){1|C<3>,1|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|Br<1>,2|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a]){1|Br<1>,1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|N<3>}	116.7990	0.000	1	116.8500	0.005	2	115.6767	0.833	35	115.8484	1.745	48	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]N[6a]N){1|C<3>,1|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<2>,1|H<1>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a]){1|C<2>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	116.4040	0.000	1	115.7585	0.833	2	115.6767	0.833	35	115.8484	1.745	48	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]N[6a]N){1|C<3>,1|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	115.1130	0.000	1	115.7585	0.833	2	115.6767	0.833	35	115.8484	1.745	48	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NC[6]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NC[6]C){1|H<1>,2|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,2|N<3>}	114.8270	0.000	1	114.8270	0.000	1	115.6767	0.833	35	115.8484	1.745	48	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NC[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NC[6a]C){1|H<1>,2|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,2|N<3>}	114.9768	0.172	4	114.9768	0.029	4	115.6767	0.833	35	115.8484	1.745	48	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NC[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NC[6a]H){1|H<1>,2|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,2|N<3>}	115.7210	0.000	1	115.7210	0.000	1	115.6767	0.833	35	115.8484	1.745	48	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5,6]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|N<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5,6]N[5a])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	116.5910	0.190	2	116.5910	0.036	2	115.6767	0.833	35	115.8484	1.745	48	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|H<1>,1|N<3>,1|S<2>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,1|S<2>,2|H<1>}	116.3430	0.000	1	116.3020	0.043	3	115.6767	0.833	35	115.8484	1.745	48	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|N<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	116.2815	0.289	2	116.3020	0.043	3	115.6767	0.833	35	115.8484	1.745	48	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHN)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHN){1|N<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>}	114.9020	0.181	2	114.9020	0.033	2	115.6767	0.833	35	115.8484	1.745	48	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a])(NHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]N[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N){1|C<4>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a])(NHH){1|H<1>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]N[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	114.4610	0.185	2	114.4610	0.034	2	115.6767	0.833	35	115.8484	1.745	48	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]I)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]I)(C[6a]N[6a]N){1|C<3>,1|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|H<1>,1|I<1>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a]){1|C<4>,1|I<1>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	116.8480	0.000	1	116.8480	0.000	1	115.6767	0.833	35	115.8484	1.745	48	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C[5])(N[5a]C[5a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<2>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C[5])(N[5a]C[5a]){1|C<2>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	119.5120	0.000	1	119.5120	0.000	1	119.5120	0.000	1	115.8484	1.745	48	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N[5]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]N[6a]N[5])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(N[5]C[5]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]N[6a]N[5]){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(N[5]C[5]2){1|N<2>,1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	114.5705	0.046	2	114.5705	0.002	2	114.5705	0.002	2	115.8484	1.745	48	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:N[5]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N[5])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(N[5]C[5]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N[5])(C[5a]N[5a]H){1|C<3>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(N[5]C[5]2){1|N<3>,1|S<2>,2|C<4>,2|N<2>,5|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,1|S<2>}	115.6608	0.489	4	115.6608	0.240	4	115.4778	0.224	6	115.8484	1.745	48	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:N[5]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N[5])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(N[5]C[5]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N[5])(C[5a]N[5a]H){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(N[5]C[5]2){2|C<4>,2|N<2>,2|N<3>,5|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,2|N<3>}	115.1120	0.040	2	115.1120	0.002	2	115.4778	0.224	6	115.8484	1.745	48	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,1|N<2>,5|C<3>}	121.2540	0.000	1	121.2540	0.000	1	121.2540	0.000	1	115.8484	1.745	48	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[6a]N[5a])(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[6a]N[5a])(C[6a]N[6a]N){1|C<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|H<1>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	117.3880	0.000	1	117.3880	0.000	1	117.3880	0.000	1	115.8484	1.745	48	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N[6]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]N[6])	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])(N[6]C[6]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]N[6]){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])(N[6]C[6]2){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	117.0770	0.000	1	117.0770	0.000	1	117.0770	0.000	1	119.9417	1.782	15	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]O[6a])	C[6a](C[5a,6a]C[5a,6a]2)(O[6a]C[6a,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]O[6a]){1|H<1>,7|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(O[6a]C[6a,6a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[6a]){1|H<1>,1|O<2>,7|C<3>}	120.8680	0.000	1	120.8680	0.000	1	120.8680	0.000	1	119.9417	1.782	15	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]H)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C[5])(C[5a]S[5a]H)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C[5])(C[5a]S[5a]H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	118.1610	0.000	1	118.1610	0.000	1	118.1610	0.000	1	119.9417	1.782	15	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:O[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]O[6a])(C[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]O[6a])(C[5a]C[5a]C){1|C<4>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	121.6050	0.000	1	121.6050	0.000	1	121.6050	0.000	1	119.9417	1.782	15	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-2:C-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(CC[5a]O)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]C)(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(CC[5a]O){1|H<1>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){1|N<2>,3|C<3>,3|H<1>}	121.7560	0.000	1	121.7560	0.000	1	121.7560	0.000	1	119.9417	1.782	15	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(N[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(N[5a]N[5a]H){1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|N<2>,3|H<1>,5|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]N[5a]O){1|N<2>,2|H<1>,3|C<3>}	121.2195	0.250	2	121.2195	0.062	2	121.2195	0.062	2	119.9417	1.782	15	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:3:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a]){2|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]H){1|H<1>,1|N<2>,5|C<3>}	118.3560	0.000	1	118.3560	0.000	1	118.3560	0.000	1	119.9417	1.782	15	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:C-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CCO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]C){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CCO){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	119.4620	0.000	1	119.4620	0.000	1	119.8377	0.122	7	119.9417	1.782	15	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:C-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]C){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC[6a]O){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	119.7750	0.346	4	119.7750	0.120	4	119.8377	0.122	7	119.9417	1.782	15	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:C-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CNO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]C){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CNO){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	120.1510	0.132	2	120.1510	0.017	2	119.8377	0.122	7	119.9417	1.782	15	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:4:	3:2:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]H)(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(CC[6a]HO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]H)(C[6a]N[6a]C){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(CC[6a]HO){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	115.2010	0.000	1	115.2010	0.000	1	115.2010	0.000	1	117.3510	9.245	2	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:4:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC[6a]CN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC[6a]CN){1|C<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<4>,1|N<2>,3|H<1>}	119.5010	0.000	1	119.5010	0.000	1	119.5010	0.000	1	117.3510	9.245	2	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:4:	3:3:2:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:C[6a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a,6a]S[5a])(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(N[6a]C[6a,6a])(CH3)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a,5a])	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a,6a]S[5a])(C[6a]N[6a]C){4|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(N[6a]C[6a,6a])(CH3){2|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a,5a]){1|C<4>,1|H<1>,1|N<2>,1|S<2>,3|C<3>}	118.9740	0.000	1	118.9740	0.000	1	118.9740	0.000	1	117.6851	1.711	7	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:4:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]O[5a]C)(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)(N[5a]O[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]O[5a]C)(C[6a]N[6a]C){1|N<3>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a])(CH3){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)(N[5a]O[5a]){1|C<3>,1|N<2>,2|C<4>}	119.2800	0.000	1	119.2800	0.000	1	119.2800	0.000	1	117.6851	1.711	7	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:4:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(CCCH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]C){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(CCCH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a]){1|C<4>,1|N<2>,3|H<1>}	116.0910	0.000	1	116.0910	0.000	1	116.0910	0.000	1	117.6851	1.711	7	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:4:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(CC3)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]N[6a]C){1|Br<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(CC3){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){1|Br<1>,1|C<4>,1|N<2>,2|C<3>,2|H<1>}	116.7290	0.238	2	116.7290	0.056	2	117.4347	1.522	3	117.6851	1.711	7	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:4:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(CCCH)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]N[6a]C){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(CCCH){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	118.8460	0.000	1	118.8460	0.000	1	117.4347	1.522	3	117.6851	1.711	7	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:4:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CF3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]C)(N[5a]C[5a]H){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CF3){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|N<2>,2|C<4>,2|H<1>}	117.1470	0.000	1	117.1470	0.000	1	117.1470	0.000	1	117.6851	1.711	7	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[5a,6a])(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[5a,6a])(CH3){2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C){1|C<4>,1|N<2>,1|N<3>,4|C<3>}	119.9770	0.000	1	119.9770	0.000	1	119.9770	0.000	1	120.6824	4.356	18	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]C){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(CC[6a]HH){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>}	117.8500	0.000	1	117.8500	0.000	1	117.6747	0.342	3	120.6824	4.356	18	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]C){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(CH3){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){1|C<4>,1|N<2>,3|C<3>}	118.1520	0.000	1	118.1520	0.000	1	117.6747	0.342	3	120.6824	4.356	18	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]C){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(CH3){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){1|C<4>,1|N<2>,3|C<3>}	117.0220	0.000	1	117.0220	0.000	1	117.6747	0.342	3	120.6824	4.356	18	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(CF3)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]N[6a]C){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(CF3){1|N<3>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	115.5910	0.000	1	115.5910	0.000	1	115.5910	0.000	1	120.6824	4.356	18	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]C)(N[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CCCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]C)(N[5a]N[5a]H){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CCCH){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>}	121.5690	0.000	1	121.5690	0.000	1	121.5690	0.000	1	120.6824	4.356	18	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(CCHH)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]C)(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(CCHH){1|H<1>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	122.1900	0.000	1	122.1900	0.000	1	122.2281	0.025	7	120.6824	4.356	18	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(CC[6a]HH)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]C)(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(CC[6a]HH){1|H<1>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	122.2225	0.208	4	122.2225	0.043	4	122.2281	0.025	7	120.6824	4.356	18	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(CH3)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]C)(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(CH3){1|H<1>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	122.2585	0.124	2	122.2585	0.015	2	122.2281	0.025	7	120.6824	4.356	18	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:4:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]C){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CCHH){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	121.6890	0.000	1	121.6890	0.000	1	121.3050	0.053	5	120.6824	4.356	18	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:4:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC[5a]HN)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]C){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC[5a]HN){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	121.0650	0.000	1	121.0650	0.000	1	121.3050	0.053	5	120.6824	4.356	18	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:4:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC[6]HH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]C){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC[6]HH){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	121.2860	0.000	1	121.2860	0.000	1	121.3050	0.053	5	120.6824	4.356	18	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:4:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]C){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CH3){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	121.2425	0.025	2	121.2425	0.001	2	121.3050	0.053	5	120.6824	4.356	18	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:2:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5,6a]-3:O-1:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]N[6a]S[5a])(C[6a]N[5,6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(N[5,6a]C[5,6a]C[5])(O)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[6a]C[5,6a])(S[5a]C[5,5a])	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]N[6a]S[5a])(C[6a]N[5,6a]O){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(N[5,6a]C[5,6a]C[5])(O){1|C<3>,1|N<2>,1|S<2>,2|H<1>,3|C<4>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[6a]C[5,6a])(S[5a]C[5,5a]){1|N<3>,1|O<1>,3|C<4>}	118.6350	0.000	1	118.6350	0.000	1	118.6350	0.000	1	118.8384	4.678	58	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:2:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:S[5a]-2:N[6a]-2:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(N[6a]C[6a]2)(O)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(N[6a]C[6a])	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(N[6a]C[6a]2)(O){1|C<4>,1|N<2>,1|N<3>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(N[6a]C[6a]){1|O<1>,2|C<4>,2|N<3>}	118.3130	0.000	1	118.3130	0.000	1	118.3130	0.000	1	118.8384	4.678	58	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:S[5a]-2:N[6a]-2:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]2)(O)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a])	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]2)(O){1|C<4>,1|N<2>,1|N<3>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a]){1|O<1>,2|C<4>,2|N<3>}	118.1550	0.266	8	118.1550	0.071	8	118.1161	0.387	16	118.8384	4.678	58	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:S[5a]-2:N[6a]-2:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a])	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|S<2>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a]){1|O<1>,2|C<4>,2|N<3>}	117.5425	0.293	2	118.0988	0.484	5	118.1161	0.387	16	118.8384	4.678	58	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:S[5a]-2:N[6a]-2:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a])	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|O<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a]){1|N<3>,1|O<1>,1|O<2>,2|C<4>}	118.4697	0.640	3	118.0988	0.484	5	118.1161	0.387	16	118.8384	4.678	58	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:S[5a]-2:N[6a]-2:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]N)(O)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a])	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]N)(O){1|C<3>,1|N<2>,1|S<2>,2|C<4>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a]){1|N<3>,1|O<1>,3|C<4>}	116.5660	0.000	1	116.5660	0.000	1	118.1161	0.387	16	118.8384	4.678	58	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:S[5a]-2:N[6a]-2:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]S)(O)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a])	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]S)(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	118.9840	0.000	1	118.7790	0.084	2	118.1161	0.387	16	118.8384	4.678	58	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:S[5a]-2:N[6a]-2:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]S)(O)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a])	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]S)(O){1|C<3>,1|C<4>,1|N<2>,2|S<2>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a]){1|N<3>,1|O<1>,1|S<2>,2|C<4>}	118.5740	0.000	1	118.7790	0.084	2	118.1161	0.387	16	118.8384	4.678	58	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:N[6a]-2:O[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]O[5a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]2)2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[6a]C[5a,6a])(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]O[5a])(C[6a]C[5a,6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)2(H){1|N<2>,2|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[6a]C[5a,6a])(O[5a]C[5a,6a]){1|H<1>,1|O<2>,3|C<3>}	118.2000	0.069	2	118.2000	0.005	2	118.2000	0.005	2	118.8384	4.678	58	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]O[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(N[6a]C[6a]){1|C<4>,1|H<1>,3|C<3>}	116.4575	0.252	2	116.4575	0.064	2	116.4575	0.064	2	118.8384	4.678	58	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:O[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]O[6a])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(O[6a]C[6a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]O[6a])(C[6a]C[6a,6a]H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|Cl<1>,1|N<2>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(O[6a]C[6a,6a]){1|H<1>,4|C<3>}	120.1600	0.000	1	120.1600	0.000	1	120.1600	0.000	1	118.8384	4.678	58	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:O-1:	C[5a,6a]-3:S[6a]-2:S[5a]-2:	C[5a,6a](C[5a,6a]S[5a]S[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a,6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(S[6a]C[6a,6a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]S[5a]S[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a,6a]O){1|N<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(O){1|H<1>,2|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(S[6a]C[6a,6a])(S[5a]C[5a]){1|N<2>,1|O<1>,3|C<3>}	122.3580	0.000	1	122.2080	0.035	3	122.2080	0.035	3	118.8384	4.678	58	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:O-1:	C[5a,6a]-3:S[6a]-2:S[5a]-2:	C[5a,6a](C[5a,6a]S[5a]S[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a,6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(S[6a]C[6a,6a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]S[5a]S[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a,6a]O){1|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(O){1|H<1>,2|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(S[6a]C[6a,6a])(S[5a]C[5a]){1|N<3>,1|O<1>,3|C<3>}	122.1330	0.190	2	122.2080	0.035	3	122.2080	0.035	3	118.8384	4.678	58	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C[5])(C[6a]C[6a]H){1|Br<1>,1|Ru<6>,1|C<3>,2|N<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a])(N[6a]C[6a]){1|Ru<6>,2|C<3>,2|H<1>}	119.3240	0.000	1	119.3240	0.000	1	119.3240	0.000	1	118.8384	4.678	58	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-2:O[5a]-2:	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(O[5a]C[5a])	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(O[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	115.7400	0.000	1	115.7400	0.000	1	116.7390	1.996	2	118.8384	4.678	58	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-2:O[5a]-2:	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(O[5a]N[5a])	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|O<2>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(O[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	117.7380	0.000	1	117.7380	0.000	1	116.7390	1.996	2	118.8384	4.678	58	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|S<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	117.6825	0.749	2	117.0065	0.821	4	117.0065	0.821	4	118.8384	4.678	58	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a]){1|H<1>,1|N<3>,3|C<3>}	116.3305	0.272	2	117.0065	0.821	4	117.0065	0.821	4	118.8384	4.678	58	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:H-1:	C[5a,6a]-3:N[6a]-2:O[5a]-2:	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]H)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(O[5a]C[5a])	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]H)(C[6a]N[6a]H){1|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>,2|O<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(O[5a]C[5a]){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	115.7340	0.000	1	115.7455	0.000	2	115.7455	0.000	2	118.8384	4.678	58	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:H-1:	C[5a,6a]-3:N[6a]-2:O[5a]-2:	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]H)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(O[5a]C[5a])	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]H)(C[6a]N[6a]H){1|C<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>,2|O<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(O[5a]C[5a]){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	115.7570	0.000	1	115.7455	0.000	2	115.7455	0.000	2	118.8384	4.678	58	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[6a]-2:O[5a]-2:	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]C)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(O[5a]C[5a])	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]C)(C[6a]N[6a]O){1|C<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O){1|N<2>,1|N<3>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(O[5a]C[5a]){1|C<3>,1|C<4>,1|O<1>,2|N<3>}	117.4330	0.000	1	117.4580	0.001	2	117.4580	0.001	2	118.8384	4.678	58	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[6a]-2:O[5a]-2:	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]C)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(O[5a]C[5a])	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]C)(C[6a]N[6a]O){1|C<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O){1|N<2>,2|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(O[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>}	117.4830	0.000	1	117.4580	0.001	2	117.4580	0.001	2	118.8384	4.678	58	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C)(C[6a]N[6a]O){1|C<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O){1|C<4>,1|N<2>,1|N<3>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a]){1|O<1>,2|C<4>,2|N<3>}	117.7440	0.148	3	117.8140	0.034	4	118.1441	0.365	7	118.8384	4.678	58	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C)(C[6a]N[6a]O){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O){1|C<4>,1|N<2>,1|N<3>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a]){1|C<3>,1|C<4>,1|O<1>,2|N<3>}	118.0240	0.000	1	117.8140	0.034	4	118.1441	0.365	7	118.8384	4.678	58	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C)(C[6a]N[6a]O){1|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a]){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	118.8030	0.000	1	118.8030	0.000	1	118.1441	0.365	7	118.8384	4.678	58	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|C<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O){1|H<1>,1|N<2>,1|N<3>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a]){1|C<4>,1|H<1>,1|O<1>,2|N<3>}	119.1820	0.000	1	119.1820	0.000	1	118.1441	0.365	7	118.8384	4.678	58	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<2>,1|O<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a]){1|N<3>,1|O<1>,1|O<2>,2|H<1>}	117.7680	0.000	1	117.7680	0.000	1	118.1441	0.365	7	118.8384	4.678	58	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:N[6a]-2:N[5a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H)(C[5a]N[5a]Cl)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a])(N[5a]N[5a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H)(C[5a]N[5a]Cl){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a])(N[5a]N[5a]){1|Cl<1>,1|H<1>,3|C<3>}	120.0420	0.000	1	120.0420	0.000	1	120.0420	0.000	1	118.8384	4.678	58	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]I)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]I){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,1|I<1>,1|N<2>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a])(S[5a]C[5a]){1|I<1>,2|C<3>,2|H<1>}	117.9970	0.000	1	117.9970	0.000	1	117.9660	0.002	2	118.8384	4.678	58	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]N){1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,1|S<2>,2|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a])(S[5a]C[5a]){1|H<1>,2|C<3>,2|N<2>}	117.9350	0.000	1	117.9350	0.000	1	117.9660	0.002	2	118.8384	4.678	58	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:O-1:	C[5a,6a]-3:O[6a]-2:O[5a]-2:	C[5a,6a](C[5a,6a]O[5a]O[6a])(C[6a]C[6a,6a]O)(C[5a]C[5a]I)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(O[6a]C[6a,6a])(O[5a]C[5a])	C[5a,6a](C[5a,6a]O[5a]O[6a])(C[6a]C[6a,6a]O)(C[5a]C[5a]I){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(O){1|H<1>,1|I<1>,2|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(O[6a]C[6a,6a])(O[5a]C[5a]){1|I<1>,1|O<1>,3|C<3>}	118.9090	0.000	1	118.9090	0.000	1	118.9090	0.000	1	118.8384	4.678	58	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	121.2370	0.000	1	121.2370	0.000	1	121.5660	6.417	6	118.8384	4.678	58	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|C<4>,3|H<1>}	126.5750	0.000	1	121.6318	7.989	5	121.5660	6.417	6	118.8384	4.678	58	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,4|H<1>}	120.3960	0.686	4	121.6318	7.989	5	121.5660	6.417	6	118.8384	4.678	58	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|O<1>,2|N<3>}	122.0530	0.132	2	122.0530	0.017	2	122.0530	0.017	2	118.8384	4.678	58	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]C[5a]C[5])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]C[5a]C[5])(C[6a]N[6a]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	122.1420	0.000	1	122.1420	0.000	1	122.1420	0.000	1	118.8384	4.678	58	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:2:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:O-1:	C[5a,6a]-3:N[5a]-2:O[6a]-2:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]O[6a])(C[6a]C[6a,6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(O)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(O[6a]C[6a,6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]O[6a])(C[6a]C[6a,6a]O){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(O){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(O[6a]C[6a,6a]){1|O<1>,4|C<3>}	124.9490	0.000	1	124.9490	0.000	1	124.9490	0.000	1	118.8384	4.678	58	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[3,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[3,5a]N[3,5a]H[3])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[3,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[3,5a]C[6a])(N[5a]N[3,5a])(C[6a]C[6a]H)	C[5a,6a](C[3,5a]N[3,5a]H[3])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[3,5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|H<2>,1|N<2>,1|N<4>}	C[5a,6a](C[5a,6a]C[3,5a]C[6a])(N[5a]N[3,5a])(C[6a]C[6a]H){1|H<2>,2|C<3>,2|H<1>}	118.8270	0.000	1	118.8270	0.000	1	118.8270	0.000	1	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5,5a]N[5,5a]N[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]N[5,5a])(C[6a]C[6a]H)	C[5a,6a](C[5,5a]N[5,5a]N[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]N[5,5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.6295	0.849	2	120.6295	0.721	2	120.6295	0.721	2	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]B[5])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(O[5a]C[5,5a])(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]B[5])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(O[5a]C[5,5a])(C[6a]C[6a]H){1|B<3>,2|C<3>,2|H<1>}	117.2530	0.000	1	117.2530	0.000	1	118.2547	0.248	11	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]Ge[5])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(O[5a]C[5,5a])(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]Ge[5])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|Ge<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(O[5a]C[5,5a])(C[6a]C[6a]H){1|Ge<4>,1|C<3>,1|C<4>,2|H<1>}	118.5320	0.000	1	117.9940	0.579	2	118.2547	0.248	11	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]Ge[5])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(O[5a]C[5,5a])(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]Ge[5])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|Ge<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(O[5a]C[5,5a])(C[6a]C[6a]H){1|Ge<4>,2|C<3>,2|H<1>}	117.4560	0.000	1	117.9940	0.579	2	118.2547	0.248	11	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]N[5])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(O[5a]C[5,5a])(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]N[5])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(O[5a]C[5,5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	118.2600	0.000	1	118.2600	0.000	1	118.2547	0.248	11	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]P[5])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(O[5a]C[5,5a])(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]P[5])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|P<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(O[5a]C[5,5a])(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	118.6130	0.556	2	118.4648	0.087	6	118.2547	0.248	11	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]P[5])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(O[5a]C[5,5a])(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]P[5])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|S<1>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|P<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(O[5a]C[5,5a])(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	118.3907	0.142	4	118.4648	0.087	6	118.2547	0.248	11	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(O[5a]C[5,5a])(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(O[5a]C[5,5a])(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	118.5120	0.000	1	118.5120	0.000	1	118.2547	0.248	11	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]B[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]B[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	118.2340	0.000	1	117.9718	0.086	4	118.6991	0.538	43	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]B[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]B[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H){1|B<3>,2|C<3>,2|H<1>}	117.8843	0.289	3	117.9718	0.086	4	118.6991	0.538	43	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	119.2303	0.308	3	119.2303	0.095	3	118.6991	0.538	43	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.7268	0.277	5	118.7268	0.077	5	118.6991	0.538	43	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]C)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.8580	0.000	1	119.8580	0.000	1	118.6991	0.538	43	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.0613	0.062	4	118.0776	0.004	5	118.6991	0.538	43	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	118.1430	0.000	1	118.0776	0.004	5	118.6991	0.538	43	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]N[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]N[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	119.2160	0.000	1	119.2160	0.000	1	118.6991	0.538	43	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]O[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]O[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	120.8370	0.000	1	120.8370	0.000	1	118.6991	0.538	43	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]P[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]P[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	119.0337	0.287	7	118.7227	0.262	15	118.6991	0.538	43	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]P[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]P[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	118.4545	0.604	6	118.7227	0.262	15	118.6991	0.538	43	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]P[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]P[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|P<4>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H){1|H<1>,1|P<4>,3|C<3>}	118.4385	0.271	2	118.7227	0.262	15	118.6991	0.538	43	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]S[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]S[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|S<2>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|S<2>}	119.6690	0.000	1	119.5550	0.014	3	118.6991	0.538	43	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]S[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]S[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	119.4980	0.095	2	119.5550	0.014	3	118.6991	0.538	43	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H){1|Si<4>,2|C<3>,2|H<1>}	118.2092	0.958	5	118.2092	0.917	5	118.6991	0.538	43	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(O[5a]C[5a,5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(O[5a]C[5a,5a])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	118.5420	0.016	2	118.5420	0.000	2	118.7705	0.211	10	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(O[5a]C[5a,5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(O[5a]C[5a,5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	118.9120	0.577	2	118.9120	0.333	2	118.7705	0.211	10	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(O[5a]C[5a,5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|Br<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(O[5a]C[5a,5a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	118.8170	0.000	1	118.8895	0.011	2	118.7705	0.211	10	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(O[5a]C[5a,5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(O[5a]C[5a,5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	118.9620	0.000	1	118.8895	0.011	2	118.7705	0.211	10	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(O[5a]C[5a,5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(O[5a]C[5a,5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	118.7780	0.000	1	118.7780	0.000	1	118.7705	0.211	10	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(O[5a]C[5a,5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(O[5a]C[5a,5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	117.8540	0.000	1	118.7467	0.690	3	118.7705	0.211	10	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(O[5a]C[5a,5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(O[5a]C[5a,5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	118.8890	0.000	1	118.7467	0.690	3	118.7705	0.211	10	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(O[5a]C[5a,5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|O<2>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(O[5a]C[5a,5a])(C[6a]C[6a]H){1|H<1>,1|S<2>,3|C<3>}	119.4970	0.000	1	118.7467	0.690	3	118.7705	0.211	10	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	118.7468	0.296	4	118.7800	0.071	5	118.8326	0.542	109	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	118.9130	0.000	1	118.7800	0.071	5	118.8326	0.542	109	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	117.8713	0.215	3	118.7394	0.387	13	118.8326	0.542	109	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	119.1615	0.486	2	118.7394	0.387	13	118.8326	0.542	109	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	118.8125	0.597	4	118.7394	0.387	13	118.8326	0.542	109	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	119.1063	0.153	4	118.7394	0.387	13	118.8326	0.542	109	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]O[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]O[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	119.6623	0.357	4	119.4442	0.334	5	118.8326	0.542	109	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]O[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]O[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|O<2>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	118.5720	0.000	1	119.4442	0.334	5	118.8326	0.542	109	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|S<2>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]C){1|S<2>,2|C<3>,2|H<1>}	119.7350	0.000	1	119.7350	0.000	1	118.8326	0.542	109	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|S<2>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|S<2>,2|C<3>}	119.1330	0.000	2	118.7056	0.450	79	118.8326	0.542	109	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|S<2>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	118.2752	0.616	22	118.7056	0.450	79	118.8326	0.542	109	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|S<2>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	119.0605	0.638	32	118.7056	0.450	79	118.8326	0.542	109	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|S<2>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	118.7240	0.227	7	118.7056	0.450	79	118.8326	0.542	109	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|S<4>,2|C<3>,2|S<2>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|H<1>,1|S<2>,1|S<4>,2|C<3>}	119.5130	0.000	1	118.7056	0.450	79	118.8326	0.542	109	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|Si<4>,2|C<3>,2|S<2>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|Si<4>,1|H<1>,1|S<2>,2|C<3>}	118.8630	0.123	3	118.7056	0.450	79	118.8326	0.542	109	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){2|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|H<1>,1|S<2>,3|C<3>}	118.3594	0.567	12	118.7056	0.450	79	118.8326	0.542	109	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,2|S<2>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	120.7430	0.633	3	120.0917	0.719	6	118.8326	0.542	109	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,2|S<2>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	119.4403	0.354	3	120.0917	0.719	6	118.8326	0.542	109	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	119.8675	0.042	2	119.8675	0.002	2	119.9673	0.626	14	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	119.8620	0.000	1	119.8620	0.000	1	119.9673	0.626	14	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6]N[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]N[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	121.4150	0.000	1	120.6495	1.172	2	119.9673	0.626	14	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6]N[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]N[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	119.8840	0.000	1	120.6495	1.172	2	119.9673	0.626	14	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	118.7160	0.000	1	119.8496	0.735	9	119.9673	0.626	14	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	120.0777	0.489	3	119.8496	0.735	9	119.9673	0.626	14	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	120.8680	0.000	1	119.8496	0.735	9	119.9673	0.626	14	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.0990	0.000	1	119.8496	0.735	9	119.9673	0.626	14	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	119.2433	0.360	3	119.8496	0.735	9	119.9673	0.626	14	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:N[6a]-3:	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(N[6a]C[6a]C)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H){1|C<3>,1|N<2>,1|O<1>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(N[6a]C[6a]C){1|H<1>,1|O<1>,3|C<3>}	120.1480	0.000	1	120.1480	0.000	1	120.1480	0.000	1	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6]C[5,6,6]C[5a,6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5,6,6]C[5a,6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	118.6380	0.000	1	118.6380	0.000	1	118.6394	0.313	28	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	118.6690	0.000	1	118.6690	0.000	1	118.6394	0.313	28	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	118.9330	0.093	5	118.7301	0.196	21	118.6394	0.313	28	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	118.3495	0.100	4	118.7301	0.196	21	118.6394	0.313	28	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	118.8327	0.304	7	118.7301	0.196	21	118.6394	0.313	28	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	118.7340	0.000	1	118.7301	0.196	21	118.6394	0.313	28	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	118.5100	0.000	1	118.7301	0.196	21	118.6394	0.313	28	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.3380	0.427	2	118.7301	0.196	21	118.6394	0.313	28	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H){2|H<1>,3|C<3>}	117.5200	0.000	1	118.7301	0.196	21	118.6394	0.313	28	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]O)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>}	119.5800	0.000	1	119.5800	0.000	1	118.6394	0.313	28	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	118.4110	0.000	1	117.9207	0.475	4	118.6394	0.313	28	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	117.7573	0.743	3	117.9207	0.475	4	118.6394	0.313	28	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]B[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]B[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|B<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,2|B<3>,2|H<1>}	117.9810	0.433	2	117.9810	0.187	2	119.1630	0.776	31	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	119.1740	0.000	1	119.1740	0.000	1	119.1630	0.776	31	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	118.7420	0.000	1	118.2798	0.131	6	119.1630	0.776	31	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	118.0595	0.523	2	118.2798	0.131	6	119.1630	0.776	31	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	118.3840	0.000	1	118.2798	0.131	6	119.1630	0.776	31	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	118.2170	0.232	2	118.2798	0.131	6	119.1630	0.776	31	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	119.0353	1.178	3	119.0353	1.388	3	119.1630	0.776	31	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	119.9053	0.400	3	119.9053	0.160	3	119.1630	0.776	31	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.4300	0.000	1	120.4300	0.000	1	119.1630	0.776	31	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]F)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.4990	0.000	1	120.4990	0.000	1	119.1630	0.776	31	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	119.8982	0.234	5	119.9523	0.061	6	119.1630	0.776	31	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	120.2230	0.000	1	119.9523	0.061	6	119.1630	0.776	31	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]S[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]S[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|S<2>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	118.7250	0.000	1	119.0052	0.146	4	119.1630	0.776	31	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]S[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]S[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|S<2>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	118.8775	0.202	2	119.0052	0.146	4	119.1630	0.776	31	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]S[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]S[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|S<2>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	119.5410	0.000	1	119.0052	0.146	4	119.1630	0.776	31	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]S[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]S[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,2|S<2>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	119.6050	0.106	2	119.6050	0.011	2	119.1630	0.776	31	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]Si[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]Si[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|Si<4>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H){2|Si<4>,1|C<3>,2|H<1>}	118.2705	0.433	2	118.2705	0.188	2	119.1630	0.776	31	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,5a]C[5a,5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,5a]C[5a,5a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]C)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	117.9345	0.500	2	117.9345	0.250	2	118.1413	0.355	6	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,5a]C[5a,5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,5a]C[5a,5a]2)(C[6a]C[6a]H){1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	118.8185	0.227	2	118.2447	0.465	4	118.1413	0.355	6	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,5a]C[5a,5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,5a]C[5a,5a]2)(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	117.6710	0.165	2	118.2447	0.465	4	118.1413	0.355	6	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]F)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]F){1|C<4>,2|F<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]F)(F){1|C<2>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]F){1|C<2>,1|F<1>,3|C<3>}	115.1890	0.000	1	116.3328	1.548	5	116.6307	1.294	7	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]F)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]F){1|C<4>,2|F<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]F)(F){1|F<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]F){2|F<1>,3|C<3>}	115.5635	0.310	2	116.3328	1.548	5	116.6307	1.294	7	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]F)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]F){3|C<3>,3|F<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]F)(F){1|F<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]F){2|F<1>,3|C<3>}	117.6740	0.072	2	116.3328	1.548	5	116.6307	1.294	7	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]S)(F)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]F)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]F){1|F<1>,1|H<1>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]S)(F){1|F<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]F){2|F<1>,3|C<3>}	117.3755	0.135	2	117.3755	0.018	2	116.6307	1.294	7	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	121.5890	0.000	1	121.5890	0.000	1	119.7538	1.492	20	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|F<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]F)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	120.9810	0.000	1	120.9810	0.000	1	119.7538	1.492	20	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	120.6070	0.000	1	119.9954	0.102	9	119.7538	1.492	20	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.9490	0.000	1	119.9954	0.102	9	119.7538	1.492	20	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	119.9210	0.225	2	119.9954	0.102	9	119.7538	1.492	20	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	119.7893	0.244	3	119.9954	0.102	9	119.7538	1.492	20	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.0965	0.329	2	119.9954	0.102	9	119.7538	1.492	20	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]O)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]N[6a]H){2|H<1>,3|C<3>}	116.6685	0.640	2	116.6685	0.410	2	119.7538	1.492	20	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.5410	0.000	1	119.5410	0.000	1	119.7538	1.492	20	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.2240	0.211	2	119.2240	0.044	2	119.7538	1.492	20	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.5557	0.193	3	120.3055	0.275	4	119.7538	1.492	20	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.5550	0.000	1	120.3055	0.275	4	119.7538	1.492	20	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	117.4210	0.000	1	117.4210	0.000	1	118.9689	0.892	230	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.8195	0.689	4	118.8195	0.475	4	118.9689	0.892	230	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	115.9020	0.000	1	115.9020	0.000	1	118.9689	0.892	230	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	118.4390	0.000	1	117.4663	0.303	7	118.9689	0.892	230	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	117.3672	0.385	5	117.4663	0.303	7	118.9689	0.892	230	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){2|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	116.9890	0.000	1	117.4663	0.303	7	118.9689	0.892	230	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.2620	0.000	1	118.2620	0.000	1	118.9689	0.892	230	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.1285	0.216	2	118.9614	0.332	8	118.9689	0.892	230	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	117.9570	0.000	1	118.9614	0.332	8	118.9689	0.892	230	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	119.3945	0.489	2	118.9614	0.332	8	118.9689	0.892	230	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.1020	0.000	1	118.9614	0.332	8	118.9689	0.892	230	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	118.2830	0.000	1	118.9614	0.332	8	118.9689	0.892	230	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.3030	0.000	1	118.9614	0.332	8	118.9689	0.892	230	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]N)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]N){2|H<1>,3|C<3>}	120.4540	0.000	1	120.4540	0.000	1	118.9689	0.892	230	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]N)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]N){2|H<1>,3|C<3>}	120.2160	0.000	1	120.2160	0.000	1	118.9689	0.892	230	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|F<1>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]F)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.1285	0.066	2	119.1285	0.004	2	118.9689	0.892	230	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]N)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|F<1>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]F)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]N){2|H<1>,3|C<3>}	119.3520	0.165	2	119.3520	0.027	2	118.9689	0.892	230	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	119.6597	0.811	17	119.6597	0.658	17	118.9689	0.892	230	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]B)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|B<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]B){2|H<1>,3|C<3>}	119.3890	0.000	1	119.3890	0.000	1	118.9689	0.892	230	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]Bi)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|Bi<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]Bi){2|H<1>,3|C<3>}	118.2100	0.137	2	118.9477	0.734	4	118.9689	0.892	230	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]Bi)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|Bi<5>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]Bi){2|H<1>,3|C<3>}	119.6855	0.086	2	118.9477	0.734	4	118.9689	0.892	230	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]Br)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|Br<1>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]Br){2|H<1>,3|C<3>}	119.1490	0.000	1	119.1490	0.000	1	118.9689	0.892	230	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	118.7661	0.843	16	119.1852	1.161	25	118.9689	0.892	230	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	119.9301	1.085	9	119.1852	1.161	25	118.9689	0.892	230	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	117.4840	0.192	2	118.5700	0.321	60	118.9689	0.892	230	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.4645	0.550	4	118.5700	0.321	60	118.9689	0.892	230	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.9340	0.000	1	118.5700	0.321	60	118.9689	0.892	230	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.8790	0.000	1	118.5700	0.321	60	118.9689	0.892	230	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|F<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|F<1>,1|H<1>,3|C<3>}	119.1360	0.000	1	118.5700	0.321	60	118.9689	0.892	230	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.3260	0.250	2	118.5700	0.321	60	118.9689	0.892	230	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.4210	0.000	1	118.5700	0.321	60	118.9689	0.892	230	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	117.4490	0.000	1	118.5700	0.321	60	118.9689	0.892	230	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.2315	0.223	4	118.5700	0.321	60	118.9689	0.892	230	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	118.0108	0.461	4	118.5700	0.321	60	118.9689	0.892	230	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.6475	0.467	37	118.5700	0.321	60	118.9689	0.892	230	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	119.4885	0.534	2	118.5700	0.321	60	118.9689	0.892	230	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]N)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]N){2|H<1>,3|C<3>}	120.0683	0.800	10	119.5618	1.770	23	118.9689	0.892	230	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]N)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]N){1|H<1>,4|C<3>}	118.6550	0.000	1	119.5618	1.770	23	118.9689	0.892	230	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]N)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|N<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]N){2|H<1>,3|C<3>}	119.2153	1.606	12	119.5618	1.770	23	118.9689	0.892	230	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]P)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|P<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]P){2|H<1>,3|C<3>}	119.1383	0.294	7	118.8889	0.491	45	118.9689	0.892	230	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]P)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]P){2|H<1>,3|C<3>}	118.8429	0.745	38	118.8889	0.491	45	118.9689	0.892	230	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	120.0950	0.550	2	120.0950	0.303	2	118.9689	0.892	230	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]N)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]N){2|H<1>,3|C<3>}	120.7550	0.120	2	120.7550	0.014	2	118.9689	0.892	230	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|O<2>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){2|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]O){1|H<1>,1|O<2>,3|C<3>}	120.2030	0.255	2	120.2030	0.065	2	118.9689	0.892	230	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]P)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]P)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.8425	0.121	2	118.8425	0.015	2	118.9689	0.892	230	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	119.2210	0.000	1	119.2210	0.000	1	118.9689	0.892	230	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	119.2866	0.355	13	119.2866	0.126	13	118.9689	0.892	230	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.5760	0.000	1	118.2150	0.182	3	118.9689	0.892	230	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.0345	0.409	2	118.2150	0.182	3	118.9689	0.892	230	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	117.7290	0.000	1	117.7290	0.000	1	118.9689	0.892	230	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	115.9380	0.102	3	115.9380	0.010	3	118.6111	1.052	145	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	117.0730	0.000	1	117.0730	0.000	1	118.6111	1.052	145	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.2285	0.214	2	117.2512	1.143	8	118.6111	1.052	145	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	116.5815	0.925	4	117.2512	1.143	8	118.6111	1.052	145	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	117.6135	1.193	2	117.2512	1.143	8	118.6111	1.052	145	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(H){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.2665	0.182	2	119.2665	0.033	2	118.6111	1.052	145	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|C<4>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	117.1340	0.000	1	118.8084	0.819	7	118.6111	1.052	145	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.0875	0.573	6	118.8084	0.819	7	118.6111	1.052	145	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	119.7145	0.644	2	119.7145	0.415	2	118.6111	1.052	145	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]Br)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|Br<1>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]Br){2|H<1>,3|C<3>}	118.5330	0.359	2	118.5330	0.129	2	118.6111	1.052	145	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	119.0720	0.000	1	119.0804	0.180	10	118.6111	1.052	145	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	119.0813	0.450	9	119.0804	0.180	10	118.6111	1.052	145	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|B<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	117.8060	0.000	1	118.7412	0.546	66	118.6111	1.052	145	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.3300	0.000	1	118.7412	0.546	66	118.6111	1.052	145	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	116.9100	0.000	1	118.7412	0.546	66	118.6111	1.052	145	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|F<1>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.0300	0.000	1	118.7412	0.546	66	118.6111	1.052	145	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|F<1>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.9767	0.186	3	118.7412	0.546	66	118.6111	1.052	145	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	117.4457	0.308	7	118.7412	0.546	66	118.6111	1.052	145	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.9783	0.545	51	118.7412	0.546	66	118.6111	1.052	145	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|O<2>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	117.8970	0.000	1	118.7412	0.546	66	118.6111	1.052	145	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]O){2|H<1>,3|C<3>}	119.6585	0.217	2	119.6585	0.047	2	118.6111	1.052	145	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]P)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]P){2|H<1>,3|C<3>}	119.0696	0.717	5	119.0696	0.514	5	118.6111	1.052	145	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]Si)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|Si<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]Si){2|H<1>,3|C<3>}	118.5930	0.137	2	118.5930	0.019	2	118.6111	1.052	145	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[6])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[6])(H){1|H<1>,1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.5590	0.000	1	119.5590	0.000	1	118.6111	1.052	145	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[6a])(H){1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	118.0830	0.000	1	118.0830	0.000	1	118.6111	1.052	145	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.1550	0.000	1	120.1550	0.000	1	118.6111	1.052	145	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]O)(H){1|C<4>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]N[6a]H){1|C<4>,1|H<1>,3|C<3>}	119.4060	0.000	1	119.4060	0.000	1	118.6111	1.052	145	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	120.8080	0.000	1	119.8674	0.327	9	118.6111	1.052	145	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	119.7499	0.482	8	119.8674	0.327	9	118.6111	1.052	145	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]S[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]S[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|S<2>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	119.1210	0.000	1	119.1210	0.000	1	118.6111	1.052	145	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.0800	0.000	1	117.8250	0.791	21	118.6111	1.052	145	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	117.4565	0.301	2	117.8250	0.791	21	118.6111	1.052	145	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.5350	0.000	1	117.8250	0.791	21	118.6111	1.052	145	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	117.7528	0.912	17	117.8250	0.791	21	118.6111	1.052	145	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:I-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]I)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(I)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]I){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(I){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(C[6a]C[6a]H){1|H<1>,1|I<1>,1|N<2>,2|C<3>}	119.6570	0.000	1	119.6570	0.000	1	119.6570	0.000	1	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]H){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a]N)(H){1|C<4>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	118.1310	0.000	1	118.1310	0.000	1	118.1310	0.000	1	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]N[6a]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a]C)(H){1|O<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	118.0620	0.000	1	118.0620	0.000	1	118.0620	0.000	1	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:N[6a]-2:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a,6a]H)(C[5a]O[5a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a])(C[5a]O[5a]C)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a,6a]H)(C[5a]O[5a]O){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,1|N<2>,2|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a])(C[5a]O[5a]C){1|H<1>,1|O<2>,2|C<3>}	119.0460	0.000	1	119.0460	0.000	1	119.0460	0.000	1	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:N[6a]-2:N[5a]-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H)(C[5a]O[5a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a])(N[5a]O[5a]C)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H)(C[5a]O[5a]O){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a])(N[5a]O[5a]C){1|H<1>,1|O<1>,2|C<3>}	119.0150	0.000	1	119.0150	0.000	1	119.0150	0.000	1	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	123.7300	0.000	1	123.7300	0.000	1	122.8633	0.365	23	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	123.0600	0.000	1	122.8239	0.345	22	122.8633	0.365	23	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	123.3077	0.377	3	122.8239	0.345	22	122.8633	0.365	23	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	122.4050	0.132	2	122.8239	0.345	22	122.8633	0.365	23	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	123.7410	0.000	1	122.8239	0.345	22	122.8633	0.365	23	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	122.6335	0.064	2	122.8239	0.345	22	122.8633	0.365	23	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	122.5110	0.000	1	122.8239	0.345	22	122.8633	0.365	23	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	123.4780	0.000	1	122.8239	0.345	22	122.8633	0.365	23	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	122.8779	0.640	7	122.8239	0.345	22	122.8633	0.365	23	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	121.6580	0.000	1	122.8239	0.345	22	122.8633	0.365	23	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|N<2>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	122.0930	0.000	1	122.8239	0.345	22	122.8633	0.365	23	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|S<2>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	122.7200	0.069	2	122.8239	0.345	22	122.8633	0.365	23	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,1|S<2>,2|H<1>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	121.5560	0.000	1	121.5560	0.000	1	121.5560	0.000	1	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	123.5360	0.000	1	123.5360	0.000	1	122.3487	0.467	61	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	123.1345	0.868	4	123.1345	0.753	4	122.3487	0.467	61	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	122.9245	0.780	2	122.9245	0.608	2	122.3487	0.467	61	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]C)(H){1|C<4>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	122.2760	0.000	1	122.2190	0.089	4	122.3487	0.467	61	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]C)(H){1|C<4>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	121.8680	0.000	1	122.2190	0.089	4	122.3487	0.467	61	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]C)(H){1|N<2>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	122.5850	0.000	1	122.2190	0.089	4	122.3487	0.467	61	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]C)(H){1|N<2>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	122.1470	0.000	1	122.2190	0.089	4	122.3487	0.467	61	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	122.0080	0.000	1	122.2807	0.379	48	122.3487	0.467	61	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	122.3590	0.000	1	122.2807	0.379	48	122.3487	0.467	61	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	122.2940	0.000	1	122.2807	0.379	48	122.3487	0.467	61	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	122.0600	0.000	1	122.2807	0.379	48	122.3487	0.467	61	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	122.5240	0.000	1	122.2807	0.379	48	122.3487	0.467	61	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|F<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	122.7540	0.000	1	122.2807	0.379	48	122.3487	0.467	61	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	122.8440	0.000	1	122.2807	0.379	48	122.3487	0.467	61	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	121.5660	0.000	1	122.2807	0.379	48	122.3487	0.467	61	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	122.6900	0.000	1	122.2807	0.379	48	122.3487	0.467	61	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	122.8140	0.000	1	122.2807	0.379	48	122.3487	0.467	61	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	121.5540	0.000	1	122.2807	0.379	48	122.3487	0.467	61	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.5424	0.341	5	122.2807	0.379	48	122.3487	0.467	61	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	123.1475	0.209	2	122.2807	0.379	48	122.3487	0.467	61	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	121.3490	0.000	1	122.2807	0.379	48	122.3487	0.467	61	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.1140	0.000	1	122.2807	0.379	48	122.3487	0.467	61	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	122.1390	0.000	1	122.2807	0.379	48	122.3487	0.467	61	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.9290	0.000	1	122.2807	0.379	48	122.3487	0.467	61	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	122.4440	0.000	1	122.2807	0.379	48	122.3487	0.467	61	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	122.7055	0.148	2	122.2807	0.379	48	122.3487	0.467	61	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	122.5137	0.644	13	122.2807	0.379	48	122.3487	0.467	61	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	121.8860	0.000	1	122.2807	0.379	48	122.3487	0.467	61	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	121.4753	0.069	3	122.2807	0.379	48	122.3487	0.467	61	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	121.5013	0.203	3	122.2807	0.379	48	122.3487	0.467	61	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|F<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|F<1>,1|H<1>,3|C<3>}	121.7630	0.000	1	122.2807	0.379	48	122.3487	0.467	61	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.9870	0.000	1	122.2807	0.379	48	122.3487	0.467	61	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|N<2>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	122.3700	0.000	1	122.2807	0.379	48	122.3487	0.467	61	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.4985	0.880	2	121.4985	0.775	2	122.3487	0.467	61	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(O[5a]B[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]C[6])(C[6a]C[6a]H){1|F<1>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]C)(H){1|B<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(O[5a]B[5a,6])(C[6a]C[6a]H){1|F<1>,1|N<3>,2|C<3>,2|H<1>}	120.7340	0.000	1	120.7340	0.000	1	121.4144	0.718	7	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(O[5a]B[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(O[5a]B[5a,6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.4830	0.318	2	121.5278	0.753	6	121.4144	0.718	7	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(O[5a]B[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]C[6])(C[6a]C[6a]H){1|F<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|Cl<1>,1|B<4>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(O[5a]B[5a,6])(C[6a]C[6a]H){1|Cl<1>,1|F<1>,1|H<1>,1|O<2>,2|C<3>}	121.7710	0.003	2	121.5278	0.753	6	121.4144	0.718	7	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(O[5a]B[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(O[5a]B[5a,6])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	122.5270	0.000	1	121.5278	0.753	6	121.4144	0.718	7	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(O[5a]B[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|B<4>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(O[5a]B[5a,6])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	122.1320	0.000	1	121.5278	0.753	6	121.4144	0.718	7	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H){1|C<3>,1|S<2>,2|H<1>,2|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H){1|B<3>,1|C<3>,1|S<2>,2|H<1>}	120.3600	0.257	2	120.3600	0.066	2	120.3600	0.066	2	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	N[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](N[5,5a]C[5,5a]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	C[5a,6a](N[5,5a]C[5,5a]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	122.7100	0.311	2	122.7100	0.097	2	122.4680	0.224	3	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	N[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](N[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	C[5a,6a](N[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]C)(H){1|C<4>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	121.9840	0.000	1	121.9840	0.000	1	122.4680	0.224	3	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	122.8690	0.279	2	123.1822	0.241	14	123.4338	0.618	17	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	123.1860	0.000	1	123.1822	0.241	14	123.4338	0.618	17	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	123.5200	0.000	1	123.1822	0.241	14	123.4338	0.618	17	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	121.8820	0.000	1	123.1822	0.241	14	123.4338	0.618	17	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	123.1723	0.069	3	123.1822	0.241	14	123.4338	0.618	17	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	123.4750	0.000	1	123.1822	0.241	14	123.4338	0.618	17	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	123.5870	0.271	4	123.1822	0.241	14	123.4338	0.618	17	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	122.8850	0.000	1	123.1822	0.241	14	123.4338	0.618	17	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	123.9370	0.000	1	123.9370	0.000	1	123.4338	0.618	17	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](N[5a,5a]C[5a,6a]N[5a,5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]N[5a,5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,5a]C[5a,6a]N[5a,5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]N[5a,5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	124.2170	0.000	1	124.2170	0.000	1	123.4338	0.618	17	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](N[5a,5a]C[5a,6a]N[5a,5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]N[5a,5a])(C[6a]C[6a]N)	C[5a,6a](N[5a,5a]C[5a,6a]N[5a,5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|N<2>,2|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]N[5a,5a])(C[6a]C[6a]N){1|N<2>,2|C<3>,2|H<1>}	125.6700	0.000	1	125.6700	0.000	1	123.4338	0.618	17	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](N[5a,5a]B[5a,5a]C[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(O[5a]B[5a,5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,5a]B[5a,5a]C[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(O[5a]B[5a,5a])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	120.7000	0.000	1	120.7000	0.000	1	120.6633	0.233	4	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(O[5a]C[5a,5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(O[5a]C[5a,5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.3250	0.242	2	120.3250	0.058	2	120.6633	0.233	4	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(O[5a]C[5a,5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(O[5a]C[5a,5a])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	121.3030	0.000	1	121.3030	0.000	1	120.6633	0.233	4	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|Br<1>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|O<2>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	120.0650	0.000	1	120.7077	0.642	19	120.7825	0.720	20	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	121.2845	0.094	2	120.7077	0.642	19	120.7825	0.720	20	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	121.1310	0.016	2	120.7077	0.642	19	120.7825	0.720	20	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|O<2>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	119.1800	0.000	1	120.7077	0.642	19	120.7825	0.720	20	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	120.5140	0.000	1	120.7077	0.642	19	120.7825	0.720	20	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|F<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	121.3545	0.494	2	120.7077	0.642	19	120.7825	0.720	20	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|N<3>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	122.1220	0.000	1	120.7077	0.642	19	120.7825	0.720	20	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	120.0500	0.000	1	120.7077	0.642	19	120.7825	0.720	20	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|C<4>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	120.7800	0.318	2	120.7077	0.642	19	120.7825	0.720	20	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	121.1680	0.000	1	120.7077	0.642	19	120.7825	0.720	20	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	121.1075	0.439	2	120.7077	0.642	19	120.7825	0.720	20	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.6777	0.316	3	120.7077	0.642	19	120.7825	0.720	20	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	122.2040	0.000	1	122.2040	0.000	1	120.7825	0.720	20	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](N[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6a](N[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	122.2120	0.000	1	122.5212	0.065	4	122.1844	0.616	5	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](N[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6a](N[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	122.6243	0.185	3	122.5212	0.065	4	122.1844	0.616	5	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	120.8370	0.000	1	120.8370	0.000	1	122.1844	0.616	5	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]F)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F){1|O<1>,2|F<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]F)(F){1|F<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]F){2|F<1>,3|C<3>}	120.2300	0.000	1	120.2300	0.000	1	120.2300	0.000	1	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]C)(H){1|C<4>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	121.6780	0.000	1	121.6780	0.000	1	122.2954	1.221	40	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	121.6210	0.000	1	120.9985	0.775	2	122.2954	1.221	40	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	120.3760	0.000	1	120.9985	0.775	2	122.2954	1.221	40	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	121.1385	0.556	2	121.1385	0.310	2	122.2954	1.221	40	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	124.5730	0.000	1	124.5730	0.000	1	122.2954	1.221	40	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	121.0235	0.534	2	122.2591	0.990	28	122.2954	1.221	40	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.7590	0.583	3	122.2591	0.990	28	122.2954	1.221	40	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.7440	0.000	1	122.2591	0.990	28	122.2954	1.221	40	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	123.7520	0.000	1	122.2591	0.990	28	122.2954	1.221	40	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	122.1795	0.026	2	122.2591	0.990	28	122.2954	1.221	40	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.9878	0.506	4	122.2591	0.990	28	122.2954	1.221	40	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	122.4750	0.106	2	122.2591	0.990	28	122.2954	1.221	40	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	123.5063	0.814	3	122.2591	0.990	28	122.2954	1.221	40	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.7430	0.210	5	122.2591	0.990	28	122.2954	1.221	40	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	123.3045	0.283	4	122.2591	0.990	28	122.2954	1.221	40	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|N<2>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	122.7230	0.000	1	122.2591	0.990	28	122.2954	1.221	40	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.1370	0.053	3	122.1370	0.003	3	122.2954	1.221	40	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|F<1>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	123.2830	0.000	1	123.2830	0.000	1	122.2954	1.221	40	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]N)(H){1|H<1>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	124.1715	0.194	2	124.1715	0.038	2	122.2954	1.221	40	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.7170	0.000	1	121.7170	0.000	1	121.3047	0.179	3	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	121.3250	0.000	1	121.0985	0.103	2	121.3047	0.179	3	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.8720	0.000	1	121.0985	0.103	2	121.3047	0.179	3	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	120.7420	0.000	1	120.1485	0.704	2	120.4173	0.569	3	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.5550	0.000	1	120.1485	0.704	2	120.4173	0.569	3	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]O)(H){1|O<2>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	120.9550	0.000	1	120.9550	0.000	1	120.4173	0.569	3	119.5900	2.921	853	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5,5a]C[5,5a]S[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5,5a])	C[5a,6a](C[5,5a]C[5,5a]S[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){1|C<3>,1|C<4>,1|H<1>,2|S<2>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[5a,6a]C[5a,6a]S[5a])(H){2|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5,5a]){1|H<1>,2|C<3>,2|S<2>}	120.6100	0.000	1	120.6100	0.000	1	119.7420	1.507	2	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5,5a])	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){1|H<1>,1|S<2>,2|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[5a,6a]C[5a,6a]S[5a])(H){1|Si<4>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5,5a]){1|Si<4>,1|H<1>,3|C<3>}	118.8740	0.000	1	118.8740	0.000	1	119.7420	1.507	2	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,5a])	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[5a])(H){1|H<1>,3|C<3>,3|S<2>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,5a]){1|H<1>,2|C<3>,2|S<2>}	119.3283	0.324	6	119.3283	0.105	6	119.6532	0.412	13	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,5a])	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]S[5a])(H){2|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,5a]){1|H<1>,1|S<2>,3|C<3>}	119.9317	0.736	7	119.9317	0.541	7	119.6532	0.412	13	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[6a]C[6a,6a]H)(S[5a]C[5a,5a])	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,2|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[6a]C[6a,6a]H)(S[5a]C[5a,5a]){1|H<1>,1|S<2>,3|C<3>}	119.3664	0.632	16	119.3664	0.400	16	119.3664	0.400	16	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,6])	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){1|C<3>,1|C<4>,2|S<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[5a,6a]C[5a,6a]S[5a])(H){1|C<4>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,6]){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	118.6100	0.000	1	118.6100	0.000	1	119.1535	0.549	4	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6]C[5a,6]S[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,6])	C[5a,6a](C[5a,6]C[5a,6]S[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){1|C<3>,1|C<4>,1|H<1>,2|S<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[5a,6a]C[5a,6a]S[5a])(H){2|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,6]){1|H<1>,2|C<3>,2|S<2>}	119.1100	0.974	2	119.3347	0.626	3	119.1535	0.549	4	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6]C[5a,6]S[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,6])	C[5a,6a](C[5a,6]C[5a,6]S[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[5a,6a]C[5a,6a]S[5a])(H){2|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,6]){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	119.7840	0.000	1	119.3347	0.626	3	119.1535	0.549	4	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(N[6a]C[6a])	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	117.4540	0.000	1	117.0840	0.088	6	117.0840	0.088	6	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(N[6a]C[6a])	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(N[6a]C[6a]){1|C<3>,2|C<4>,2|H<1>}	116.6690	0.000	1	117.0840	0.088	6	117.0840	0.088	6	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(N[6a]C[6a])	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(N[6a]C[6a]){1|C<3>,2|C<4>,2|H<1>}	117.0952	0.208	4	117.0840	0.088	6	117.0840	0.088	6	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6]){2|C<4>,2|H<1>,3|C<3>}	119.3320	0.000	1	119.3320	0.000	1	119.1135	0.095	2	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]O)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6]){2|C<4>,2|H<1>,3|C<3>}	118.8950	0.000	1	118.8950	0.000	1	119.1135	0.095	2	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:F-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]F)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(F)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]F)(S[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]F){1|F<1>,1|H<1>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(F){1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]F)(S[5a]C[5a,6a]){1|F<1>,4|C<3>}	117.3080	0.000	1	116.9350	0.105	3	116.9350	0.105	3	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:F-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]F)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(F)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]F)(S[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]F){1|S<2>,2|F<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(F){1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]F)(S[5a]C[5a,6a]){1|F<1>,4|C<3>}	116.7485	0.028	2	116.9350	0.105	3	116.9350	0.105	3	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]2)2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)2(H){1|N<3>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a,6a]){1|H<1>,1|N<3>,3|C<3>}	119.5500	0.093	2	119.5500	0.009	2	120.0658	0.233	5	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(H){1|O<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a,6a]){1|H<1>,4|C<3>}	120.3410	0.079	2	120.3410	0.006	2	120.0658	0.233	5	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5a,6a]C[5a,6a]2)(H){1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a,6a]){1|H<1>,4|C<3>}	120.5470	0.000	1	120.5470	0.000	1	120.0658	0.233	5	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]2)2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)2(H){1|N<3>,1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,6a]){1|H<1>,1|N<3>,3|C<3>}	119.6000	0.000	1	119.6000	0.000	1	118.5223	3.694	9	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(H){1|C<4>,1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	120.0980	1.933	2	120.0980	3.737	2	118.5223	3.694	9	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(H){1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	116.6545	0.369	4	117.8175	3.342	6	118.5223	3.694	9	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(H){1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	120.1435	0.264	2	117.8175	3.342	6	118.5223	3.694	9	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(N[6a]C[6,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]H){1|H<1>,1|S<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6,6a]2)(H){1|C<4>,1|N<2>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(N[6a]C[6,6a]){1|C<4>,1|H<1>,3|C<3>}	116.8050	0.000	1	116.8050	0.000	1	116.8050	0.000	1	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5,6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]2)(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5,6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5,6a]H)(H){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]2)(O[5a]C[5a,6a]){1|H<1>,6|C<3>}	119.9600	0.000	1	119.9600	0.000	1	119.9600	0.000	1	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a,6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(O[5a]C[5a,6a]){1|H<1>,1|N<3>,5|C<3>}	120.1560	0.000	1	119.9125	0.119	2	119.9125	0.119	2	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a,6a]H)(H){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(O[5a]C[5a,6a]){1|H<1>,6|C<3>}	119.6690	0.000	1	119.9125	0.119	2	119.9125	0.119	2	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a,6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a,6a]C)(H){1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a,6a]){1|H<1>,5|C<3>}	119.9452	0.299	6	119.9452	0.089	6	119.9434	0.066	8	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a,6a]H)(H){1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a,6a]){1|H<1>,5|C<3>}	119.9380	0.129	2	119.9380	0.017	2	119.9434	0.066	8	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:O[6a]-2:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[5a]O[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C)(O[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[5a]O[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C)(O[6a]C[6a]){1|H<1>,1|O<1>,3|C<3>}	119.4840	0.000	1	119.4840	0.000	1	119.4840	0.000	1	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(N[5a]N[5a,6a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H){1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(N[5a]N[5a,6a]){1|H<1>,6|C<3>}	119.3630	0.000	1	119.3630	0.000	1	119.3630	0.000	1	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(O[5a]C[5a,6a]){1|H<1>,6|C<3>}	119.3903	0.162	3	119.3903	0.026	3	119.2796	0.044	5	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]C[5a,6a]){2|H<1>,5|C<3>}	119.1135	0.175	2	119.1135	0.031	2	119.2796	0.044	5	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(S[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H){1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(S[5a]C[5a,6a]){1|H<1>,6|C<3>}	119.6915	0.134	2	119.6915	0.018	2	119.7100	0.010	3	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H){1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a,6a]){2|H<1>,5|C<3>}	119.7470	0.000	1	119.7470	0.000	1	119.7100	0.010	3	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[6])(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|Ir<6>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[6])(O[5a]C[5a,6a]){1|Ir<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	119.4715	0.330	2	118.8771	0.354	7	118.7926	0.288	13	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[6])(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[6])(O[5a]C[5a,6a]){2|H<1>,5|C<3>}	118.7915	0.269	2	118.8771	0.354	7	118.7926	0.288	13	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[6])(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|Pt<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[6])(O[5a]C[5a,6a]){1|Pt<4>,1|H<1>,1|N<3>,4|C<3>}	118.5380	0.663	3	118.8771	0.354	7	118.7926	0.288	13	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[5])(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|Ir<6>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[5])(O[5a]C[5a,6a]){1|Ir<6>,1|H<1>,5|C<3>}	118.4013	0.558	3	118.4013	0.312	3	118.7926	0.288	13	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]Si[4])(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|Si<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]Si[4])(O[5a]C[5a,6a]){2|H<1>,2|N<3>,3|C<3>}	119.1070	0.055	2	119.1070	0.003	2	118.7926	0.288	13	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[6a])(H){1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(O[5a]C[5a,6a]){1|H<1>,5|C<3>}	118.7460	0.000	1	118.7460	0.000	1	118.7926	0.288	13	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a]C[6a])(S[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a]C[6a])(S[5a]C[5a,6a]){1|S<2>,2|H<1>,4|C<3>}	119.6940	0.000	1	119.6940	0.000	1	119.1894	0.086	14	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[5])(S[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[5])(S[5a]C[5a,6a]){2|H<1>,5|C<3>}	119.1227	0.289	4	119.1227	0.084	4	119.1894	0.086	14	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[6])(S[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[6])(S[5a]C[5a,6a]){1|N<3>,2|H<1>,4|C<3>}	119.2600	0.000	1	119.2341	0.062	7	119.1894	0.086	14	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[6])(S[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[6])(S[5a]C[5a,6a]){2|H<1>,5|C<3>}	119.2825	0.320	2	119.2341	0.062	7	119.1894	0.086	14	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[6])(S[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|Pt<4>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[6])(S[5a]C[5a,6a]){1|Pt<4>,1|H<1>,1|N<3>,4|C<3>}	119.2035	0.295	4	119.2341	0.062	7	119.1894	0.086	14	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[5])(S[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[5])(S[5a]C[5a,6a]){2|H<1>,5|C<3>}	118.9140	0.240	2	118.9140	0.058	2	119.1894	0.086	14	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a]){1|C<4>,1|H<1>,3|C<3>}	116.3370	0.000	1	116.3370	0.000	1	117.2544	0.679	7	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,3|C<3>}	116.7540	0.000	1	116.7540	0.000	1	117.2544	0.679	7	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,3|C<3>}	117.2300	0.000	1	117.2930	0.110	3	117.2544	0.679	7	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	117.6520	0.000	1	117.2930	0.110	3	117.2544	0.679	7	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(N[6a]C[6a]){1|H<1>,4|C<3>}	116.9970	0.000	1	117.2930	0.110	3	117.2544	0.679	7	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|Br<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(N[6a]C[6a]){1|Br<1>,1|H<1>,3|C<3>}	116.9280	0.000	1	116.9280	0.000	1	117.2544	0.679	7	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	118.8830	0.000	1	118.8830	0.000	1	117.2544	0.679	7	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6,6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6,6a]H)(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6,6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6,6a]H)(O[5a]C[5a,6a]){1|C<4>,1|H<1>,3|C<3>}	118.6510	0.000	1	118.6510	0.000	1	118.7340	0.014	2	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6,6a]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6,6a]H)(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6,6a]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[5a,6a]C[5a,6a]2)(H){1|C<4>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6,6a]H)(O[5a]C[5a,6a]){1|H<1>,4|C<3>}	118.8170	0.000	1	118.8170	0.000	1	118.7340	0.014	2	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]S[5a])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(S[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]S[5a])(C[6a]C[6a,6a]H){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(S[5a]C[5a,6a]){2|H<1>,5|C<3>}	119.7070	0.000	1	119.7070	0.000	1	119.7070	0.000	1	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(O[5a]C[5a,6a]){1|H<1>,4|C<3>}	118.5080	0.000	1	118.5080	0.000	1	118.9670	0.421	2	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H){2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(O[5a]C[5a,6a]){1|H<1>,4|C<3>}	119.4260	0.000	1	119.4260	0.000	1	118.9670	0.421	2	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[5a])(S[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[5a])(S[5a]C[5a,6a]){1|H<1>,6|C<3>}	120.1080	0.000	1	120.1080	0.000	1	119.2442	0.164	13	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(S[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,6|C<3>}	119.0180	0.179	4	119.0180	0.032	4	119.2442	0.164	13	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(S[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H){2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|C<2>,1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	119.1730	0.391	3	119.2494	0.131	8	119.2442	0.164	13	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(S[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H){2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	119.2952	0.381	5	119.2494	0.131	8	119.2442	0.164	13	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a,6a]){1|H<1>,4|C<3>}	117.4930	0.000	1	117.4930	0.000	1	117.6907	0.103	3	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(N[6a]C[6a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(N[6a]C[6a,6a]){1|H<1>,6|C<3>}	118.0610	0.000	1	118.0610	0.000	1	117.6907	0.103	3	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(N[6a]C[6a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H){1|O<2>,1|S<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(N[6a]C[6a,6a]){1|H<1>,4|C<3>}	117.5180	0.000	1	117.5180	0.000	1	117.6907	0.103	3	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[6a]C[6a,6a]C)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[6a]C[6a,6a]C)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	120.4790	0.339	2	120.4790	0.115	2	120.4790	0.115	2	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[6a]-3:C[5a,6a]-3:O-1:	C[5a,6a]-3:C[6a,6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[6a]N[6a]O)	C[6a](N[6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[6a]N[6a]O){1|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(O){1|O<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]C[5a,6a]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	121.0110	0.000	1	121.0110	0.000	1	121.0110	0.000	1	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5,6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5,6a]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,2|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.2260	0.000	1	118.9263	4.041	3	118.9263	4.041	3	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5,6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5,6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H){1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a]){1|H<1>,1|O<1>,3|C<3>}	116.6110	0.000	1	118.9263	4.041	3	118.9263	4.041	3	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5,6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5,6a]H){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,2|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a]){1|H<1>,1|O<2>,3|C<3>}	119.9420	0.000	1	118.9263	4.041	3	118.9263	4.041	3	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5a,6a]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(H){1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	119.0300	0.123	2	119.6757	0.212	11	119.6757	0.212	11	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(H){1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a]){1|H<1>,1|N<2>,3|C<3>}	120.0690	0.355	3	119.6757	0.212	11	119.6757	0.212	11	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(H){1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a]){1|H<1>,1|N<3>,3|C<3>}	119.1900	0.000	1	119.6757	0.212	11	119.6757	0.212	11	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(H){1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a]){1|H<1>,4|C<3>}	119.7952	0.246	5	119.6757	0.212	11	119.6757	0.212	11	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a,6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a,6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a,6a]H){5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,1|N<3>,2|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a,6a]){1|H<1>,5|C<3>}	116.8500	0.000	1	116.8500	0.000	1	116.8500	0.000	1	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:O-1:	C[5a,6a]-3:N[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a,6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a]C)(O[5a]C[5a])	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a,6a]O){1|C<4>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(O){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a]C)(O[5a]C[5a]){1|O<1>,4|C<3>}	118.8360	0.000	1	118.8360	0.000	1	118.8360	0.000	1	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]F){1|B<4>,2|F<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F){1|F<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]N[5a]){1|B<4>,2|C<3>,2|F<1>}	120.2727	0.656	3	120.2727	0.430	3	120.2727	0.430	3	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[5,6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5,6a]H)(H)	C[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[5,6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5,6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a]){1|Br<1>,1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	119.1940	0.000	1	119.3660	0.059	2	119.3660	0.059	2	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[5,6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5,6a]H)(H)	C[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[5,6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5,6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a]){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	119.5380	0.000	1	119.3660	0.059	2	119.3660	0.059	2	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	116.5770	0.000	1	116.5770	0.000	1	116.3840	0.195	6	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]C[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>,2|S<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]){3|H<1>,4|C<3>}	116.5010	0.730	2	116.5010	0.533	2	116.3840	0.195	6	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	116.0120	0.038	2	116.0120	0.001	2	116.3840	0.195	6	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a,6a]C)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]){1|Br<1>,2|H<1>,4|C<3>}	116.7010	0.000	1	116.7010	0.000	1	116.3840	0.195	6	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]C)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){3|C<3>,3|H<1>}	119.0560	0.000	1	119.0560	0.000	1	119.4090	0.187	5	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){3|C<3>,3|H<1>}	119.8770	0.045	2	119.6490	0.157	3	119.4090	0.187	5	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,1|S<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){2|H<1>,4|C<3>}	119.1930	0.000	1	119.6490	0.157	3	119.4090	0.187	5	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[5a,6a]2)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[5a,6a]2)(S[5a]C[5a]){1|N<3>,3|C<3>,3|H<1>}	119.0420	0.000	1	119.0420	0.000	1	119.4090	0.187	5	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6,6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6,6a]N[6])(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6,6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6,6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6,6a]N[6])(O[5a]C[5a]){1|Zn<5>,2|H<1>,4|C<3>}	119.2590	0.296	2	119.2590	0.087	2	119.5907	0.374	3	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6,6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6,6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6,6a]C[6])(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6,6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6,6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6,6a]C[6])(O[5a]C[5a]){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	120.2540	0.000	1	120.2540	0.000	1	119.5907	0.374	3	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a,6a]C[6a,6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a,6a]C[6a,6a]2)(N[5a]C[5a]){1|H<1>,1|N<3>,5|C<3>}	120.0710	0.000	1	120.0710	0.000	1	120.0710	0.000	1	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]F)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a,6a]C[6a,6a]2)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|F<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]F)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a,6a]C[6a,6a]2)(S[5a]C[5a]){2|H<1>,5|C<3>}	120.1360	0.000	1	120.1360	0.000	1	120.1360	0.000	1	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]O[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O[5a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]O[5a]){2|C<3>,2|H<1>}	120.5820	0.000	1	120.5820	0.000	1	120.2388	0.387	68	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|N<3>,2|C<3>,2|H<1>}	119.5260	0.000	1	119.5260	0.000	1	120.2388	0.387	68	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){2|H<1>,3|C<3>}	120.2170	0.000	1	120.2170	0.000	1	120.2388	0.387	68	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]O[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]O[5a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]O[5a]){2|C<3>,2|H<1>}	119.7540	0.000	1	119.7540	0.000	1	120.2388	0.387	68	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]O[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]O[5a]){2|C<3>,2|H<1>}	120.6650	0.000	1	120.6650	0.000	1	120.2388	0.387	68	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]O[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]O[5a])(C[6a]C[6a]H){1|H<1>,1|I<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]O[5a]){2|C<3>,2|H<1>}	119.4955	0.431	2	119.4955	0.185	2	120.2388	0.387	68	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|C<2>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<2>,1|C<3>,1|N<3>,2|H<1>}	120.5930	0.000	1	120.5930	0.000	1	120.2388	0.387	68	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|F<1>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	120.8980	0.000	1	120.8980	0.000	1	120.2388	0.387	68	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	118.7880	0.000	1	120.1055	0.547	8	120.2388	0.387	68	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	120.9380	0.000	1	120.1055	0.547	8	120.2388	0.387	68	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	121.1150	0.000	1	120.1055	0.547	8	120.2388	0.387	68	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){2|H<1>,3|C<3>}	119.9463	0.298	4	120.1055	0.547	8	120.2388	0.387	68	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|H<1>,4|C<3>}	120.2180	0.000	1	120.1055	0.547	8	120.2388	0.387	68	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|N<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.1170	0.000	1	121.1170	0.000	1	120.2388	0.387	68	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	121.3140	0.000	1	121.3140	0.000	1	120.2388	0.387	68	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	121.5200	0.000	1	121.5200	0.000	1	120.2388	0.387	68	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	119.9308	0.338	6	120.0352	0.170	37	120.2388	0.387	68	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,3|H<1>}	120.1698	0.267	11	120.0352	0.170	37	120.2388	0.387	68	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|Os<9>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|Os<9>,1|C<3>,3|H<1>}	119.8580	0.000	1	120.0352	0.170	37	120.2388	0.387	68	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|Ru<6>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|Ru<6>,1|C<3>,3|H<1>}	119.0990	0.000	1	120.0352	0.170	37	120.2388	0.387	68	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,3|H<1>}	120.0242	0.464	17	120.0352	0.170	37	120.2388	0.387	68	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){2|H<1>,3|C<3>}	120.4800	0.000	1	120.0352	0.170	37	120.2388	0.387	68	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]N[5a]){1|C<3>,1|C<4>,3|H<1>}	121.8555	0.136	2	121.8555	0.019	2	120.2388	0.387	68	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]N[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.8200	0.126	2	120.8200	0.016	2	120.2388	0.387	68	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]I)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]I)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|I<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,1|I<1>,2|C<3>}	120.4900	0.000	1	120.4900	0.000	1	120.2388	0.387	68	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|N<3>,2|C<3>,2|H<1>}	119.8440	0.000	1	119.8440	0.000	1	120.2388	0.387	68	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|N<2>,2|C<3>,2|H<1>}	120.8610	0.000	1	120.8610	0.000	1	120.2388	0.387	68	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]P)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]P)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|P<4>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|P<4>,2|C<3>,2|H<1>}	120.0000	0.000	1	120.0000	0.000	1	120.2388	0.387	68	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Se)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Se)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|Se<2>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|Se<2>,2|C<3>,2|H<1>}	121.1950	0.000	1	121.1950	0.000	1	120.2388	0.387	68	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]O[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]O[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]O[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|F<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]O[5a]){2|C<3>,2|H<1>}	120.8330	0.000	1	120.8330	0.000	1	120.2388	0.387	68	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]O[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]O[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]O[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]O[5a]){2|C<3>,2|H<1>}	120.3420	0.000	1	120.3420	0.000	1	120.2388	0.387	68	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]B[5,5]C[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]B[5,5]C[5a])(C[6a]C[6a]H){1|N<4>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|B<4>,2|C<3>,2|H<1>}	117.6530	0.000	1	117.6530	0.000	1	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){2|H<1>,3|C<3>}	119.1340	0.000	1	119.1340	0.000	1	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H){1|C<3>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|Br<1>,1|C<3>,1|S<4>,2|H<1>}	120.1820	0.000	1	120.1820	0.000	1	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|C<2>,1|H<1>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<2>,2|C<3>,2|H<1>}	119.2900	0.000	1	119.2900	0.000	1	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	118.5715	0.032	2	118.8670	0.118	4	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,3|H<1>}	119.1160	0.000	1	118.8670	0.118	4	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<2>,2|C<3>,2|H<1>}	119.2090	0.000	1	118.8670	0.118	4	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a]){1|C<2>,2|H<1>,4|C<3>}	119.5290	0.000	1	119.5290	0.000	1	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<2>,2|C<3>,2|H<1>}	118.9910	0.000	1	118.5537	1.532	45	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	118.8249	0.230	7	118.5537	1.532	45	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	117.7025	0.104	2	118.5537	1.532	45	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	118.0585	0.470	2	118.5537	1.532	45	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|N<1>,2|C<3>,2|H<1>}	117.0440	0.672	4	118.5537	1.532	45	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	118.7465	0.405	2	118.5537	1.532	45	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,3|H<1>}	117.6995	1.018	2	118.5537	1.532	45	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	118.0740	0.147	2	118.5537	1.532	45	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<2>,2|C<3>,2|H<1>}	119.2230	0.286	2	118.5537	1.532	45	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	118.6855	0.496	8	118.5537	1.532	45	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){2|H<1>,3|C<3>}	119.0371	1.929	13	118.5537	1.532	45	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<2>,2|C<3>,2|H<1>}	119.3000	0.000	1	119.3000	0.000	1	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Cl)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Cl)(O[5a]C[5a]){2|H<1>,3|C<3>}	120.1200	0.000	1	120.1200	0.000	1	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	118.6700	0.000	1	119.1384	0.472	8	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	119.8700	0.042	2	119.1384	0.472	8	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){2|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	118.6210	0.000	1	119.1384	0.472	8	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	119.1530	0.000	1	119.1384	0.472	8	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<2>,2|C<3>,2|H<1>}	120.0090	0.000	1	119.1384	0.472	8	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){2|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,1|O<2>,3|C<3>}	118.4570	0.245	2	119.1384	0.472	8	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	118.8035	0.353	2	118.8703	0.076	3	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	119.0040	0.000	1	118.8703	0.076	3	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){2|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,1|O<2>,3|C<3>}	117.4830	0.000	1	118.3955	1.665	2	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){2|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,1|O<2>,3|C<3>}	119.3080	0.000	1	118.3955	1.665	2	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	118.2550	0.000	1	118.2550	0.000	1	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	118.7013	0.381	3	118.6983	0.097	4	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	118.6890	0.000	1	118.6983	0.097	4	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	118.4937	0.577	3	118.5666	0.592	17	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	116.1210	0.000	1	118.5666	0.592	17	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,2|C<3>,2|N<3>}	118.3025	0.264	2	118.5666	0.592	17	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|P<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|P<3>,2|C<3>,2|H<1>}	119.0470	0.000	1	118.5666	0.592	17	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|Cl<1>,1|H<1>,1|P<4>,2|C<3>}	118.9710	0.011	2	118.5666	0.592	17	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|P<4>,2|C<3>,2|H<1>}	119.2787	0.454	3	118.5666	0.592	17	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){2|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,1|O<2>,1|P<4>,2|C<3>}	118.4605	0.028	2	118.5666	0.592	17	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){2|H<1>,3|C<3>}	118.5600	0.213	3	118.5666	0.592	17	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,3|H<1>}	118.9500	0.000	1	118.9500	0.000	1	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]S)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,1|S<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]S)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){2|H<1>,3|C<3>}	118.7060	0.061	2	118.7060	0.004	2	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	119.5400	0.000	1	119.5400	0.000	1	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,3|H<1>}	118.9970	0.000	1	118.9970	0.000	1	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,3|H<1>}	119.1225	0.279	4	119.1225	0.078	4	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	119.1783	0.268	6	119.1783	0.072	6	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	118.5100	0.000	1	118.5766	0.142	5	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>,2|O<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	118.2750	0.380	2	118.5766	0.142	5	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>,2|O<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	118.9940	0.000	1	118.5766	0.142	5	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,3|H<1>}	118.8290	0.000	1	118.5766	0.142	5	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[5])(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,4|H<1>}	118.9370	0.000	1	118.9370	0.000	1	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	117.7400	0.010	2	118.4967	0.382	78	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	118.9449	0.818	10	118.4967	0.382	78	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	118.5380	0.000	1	118.4967	0.382	78	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|S<2>,3|H<1>}	118.7210	0.000	1	118.4967	0.382	78	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Co<4>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|Co<4>,1|C<3>,3|H<1>}	117.9750	0.000	1	118.4967	0.382	78	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Ir<8>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|Ir<8>,1|C<3>,3|H<1>}	117.0645	1.283	2	118.4967	0.382	78	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Sn<4>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|Sn<4>,1|C<3>,3|H<1>}	118.3110	0.606	4	118.4967	0.382	78	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,3|H<1>}	118.5123	0.480	57	118.4967	0.382	78	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(O[5a]C[5a]){2|C<3>,3|H<1>}	118.0740	0.000	1	118.0740	0.000	1	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[6])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[6])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,3|H<1>}	119.5690	0.000	1	119.5690	0.000	1	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(O[5a]C[5a]){2|C<3>,2|H<1>}	117.1395	0.152	2	117.1395	0.023	2	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	117.2595	0.001	2	118.5212	1.347	5	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,3|H<1>}	119.3623	0.204	3	118.5212	1.347	5	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	119.2500	0.862	7	119.2500	0.743	7	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.2150	0.000	1	120.2150	0.000	1	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	118.7095	0.636	8	118.8032	0.258	16	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	118.8895	0.361	2	118.8032	0.258	16	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	118.8993	0.392	6	118.8032	0.258	16	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	119.9210	0.000	1	119.9210	0.000	1	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>,2|O<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	119.8358	0.502	5	119.8358	0.252	5	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){1|H<1>,1|I<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H){1|H<1>,2|C<3>,2|O<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	119.8900	0.604	2	119.8900	0.365	2	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]P)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]P)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|P<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	118.1317	0.316	3	118.1317	0.100	3	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]P[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]P[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|P<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	118.5510	0.000	1	118.5510	0.000	1	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	119.3321	0.249	9	119.4303	0.103	31	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,1|S<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<3>,2|H<1>}	119.5965	0.123	4	119.4303	0.103	31	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	119.4382	0.364	16	119.4303	0.103	31	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,1|S<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|S<3>,2|C<3>,2|H<1>}	119.4760	0.593	2	119.4303	0.103	31	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<3>,2|H<1>}	119.4722	0.318	5	119.3837	0.066	15	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|O<2>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	119.4043	0.180	4	119.3837	0.066	15	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|S<3>,2|C<3>,2|H<1>}	119.2962	0.260	6	119.3837	0.066	15	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	119.7360	0.304	2	119.4332	0.107	30	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<3>,2|H<1>}	119.5672	0.348	14	119.4332	0.107	30	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|O<2>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	119.3005	0.247	4	119.4332	0.107	30	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|S<3>,2|C<3>,2|H<1>}	119.2381	0.202	10	119.4332	0.107	30	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	119.2630	0.000	1	119.2948	0.036	20	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<3>,2|H<1>}	119.3356	0.132	8	119.2948	0.036	20	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	119.3126	0.249	8	119.2948	0.036	20	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	119.2350	0.000	1	119.2948	0.036	20	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|S<3>,2|C<3>,2|H<1>}	119.1060	0.202	2	119.2948	0.036	20	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|O<2>,1|S<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|H<1>,1|S<3>,2|C<4>}	118.5160	0.000	1	119.2187	0.114	45	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|O<2>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	118.2820	0.000	1	119.2187	0.114	45	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	119.6068	0.266	6	119.2187	0.114	45	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<3>,2|H<1>}	119.2391	0.236	13	119.2187	0.114	45	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	119.2301	0.264	19	119.2187	0.114	45	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	118.8110	0.000	1	119.2187	0.114	45	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|S<3>,2|C<3>,2|H<1>}	119.0275	0.230	4	119.2187	0.114	45	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[5])(H){1|O<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	119.2597	0.050	4	119.2614	0.002	5	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[5])(H){1|O<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|S<4>,2|C<3>,2|H<1>}	119.2680	0.000	1	119.2614	0.002	5	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[6])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[6])(H){1|O<2>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	119.2900	0.003	2	119.2931	0.055	26	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[6])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[6])(H){1|O<2>,1|S<3>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<3>,2|H<1>}	119.3358	0.182	8	119.2931	0.055	26	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[6])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[6])(H){1|O<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	119.2921	0.217	9	119.2931	0.055	26	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[6])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[6])(H){1|O<2>,1|S<3>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|S<3>,2|C<3>,2|H<1>}	119.2850	0.365	6	119.2931	0.055	26	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[6])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[6])(H){1|O<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|S<4>,2|C<3>,2|H<1>}	119.0160	0.000	1	119.2931	0.055	26	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<3>,2|H<1>}	119.3380	0.225	2	119.4505	0.055	11	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	119.6457	0.151	3	119.4505	0.055	11	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|S<3>,2|C<3>,2|H<1>}	119.3903	0.243	6	119.4505	0.055	11	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<3>,2|H<1>}	119.4786	0.254	9	119.4502	0.054	26	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	119.5062	0.267	8	119.4502	0.054	26	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|S<3>,2|C<3>,2|H<1>}	119.3720	0.176	9	119.4502	0.054	26	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|F<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	119.4195	0.506	2	119.4283	0.128	3	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<4>,1|F<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|S<3>,2|C<3>,2|H<1>}	119.4460	0.000	1	119.4283	0.128	3	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|F<1>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	119.4577	0.268	3	119.3462	0.078	25	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|F<1>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<3>,2|H<1>}	119.4313	0.181	6	119.3462	0.078	25	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|F<1>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|H<1>,1|O<2>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	119.1244	0.313	5	119.3462	0.078	25	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|F<1>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|S<3>,2|C<3>,2|H<1>}	119.3701	0.289	11	119.3462	0.078	25	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	119.1340	0.000	1	119.1340	0.000	1	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<3>,2|H<1>}	119.3300	0.018	2	119.1577	0.089	3	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|S<3>,2|C<3>,2|H<1>}	118.8130	0.000	1	119.1577	0.089	3	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|I<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<3>,2|H<1>}	119.3178	0.466	6	119.3533	0.079	18	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|I<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H){1|H<1>,1|O<2>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	119.5095	0.126	4	119.3533	0.079	18	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<4>,1|I<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|S<3>,2|C<3>,2|H<1>}	119.3017	0.111	8	119.3533	0.079	18	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|I<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<3>,2|H<1>}	119.2077	0.193	10	119.2160	0.044	22	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|I<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H){1|H<1>,1|O<2>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	119.1165	0.179	2	119.2160	0.044	22	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|H<1>,1|I<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|S<3>,2|C<3>,2|H<1>}	119.2909	0.250	8	119.2160	0.044	22	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|H<1>,1|I<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H){1|H<1>,1|O<2>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|S<4>,2|C<3>,2|H<1>}	119.0575	0.011	2	119.2160	0.044	22	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]Si)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]Si)(C[6a]C[6a]H){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|Si<4>,1|C<3>,3|H<1>}	117.9565	0.093	2	117.9565	0.009	2	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]N[5a]){2|C<3>,2|H<1>}	118.7775	0.074	2	118.7775	0.006	2	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>,2|C<4>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]N[5a]){1|C<3>,1|H<1>,2|C<4>}	118.9590	0.000	1	118.9590	0.000	1	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	119.9313	0.505	4	119.9313	0.255	4	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]N[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]N[5a]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|N<2>,1|O<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]N[5a]){1|C<3>,1|C<4>,1|F<1>,1|H<1>}	120.0225	0.332	6	120.0225	0.110	6	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]N[5a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	120.4720	0.000	1	120.4720	0.000	1	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){1|C<3>,1|I<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]N[5a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	120.9810	0.000	1	120.9810	0.000	1	119.0653	0.491	533	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|S<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	118.9840	0.000	1	118.7196	0.226	16	118.7362	1.025	258	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	119.2030	0.535	2	118.7196	0.226	16	118.7362	1.025	258	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	118.7910	1.240	2	118.7196	0.226	16	118.7362	1.025	258	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	118.2310	0.059	3	118.7196	0.226	16	118.7362	1.025	258	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	118.9450	0.000	1	118.7196	0.226	16	118.7362	1.025	258	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	118.6170	0.153	2	118.7196	0.226	16	118.7362	1.025	258	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	118.7340	0.223	5	118.7196	0.226	16	118.7362	1.025	258	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]B)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]B)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	116.5230	0.000	1	116.5230	0.000	1	118.7362	1.025	258	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	118.7193	0.405	7	118.7193	0.164	7	118.7362	1.025	258	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	118.7970	0.000	1	118.7923	0.000	3	118.7362	1.025	258	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	118.7900	0.000	2	118.7923	0.000	3	118.7362	1.025	258	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,2|C<2>,2|H<1>}	119.4180	0.000	1	118.5482	0.709	36	118.7362	1.025	258	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	119.1360	0.663	3	118.5482	0.709	36	118.7362	1.025	258	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	118.0173	1.206	3	118.5482	0.709	36	118.7362	1.025	258	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	117.9310	0.000	1	118.5482	0.709	36	118.7362	1.025	258	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<2>,1|C<3>,1|N<3>,2|H<1>}	119.4940	0.000	1	118.5482	0.709	36	118.7362	1.025	258	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	117.0850	0.000	1	118.5482	0.709	36	118.7362	1.025	258	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	118.8560	1.051	8	118.5482	0.709	36	118.7362	1.025	258	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	118.3443	0.356	6	118.5482	0.709	36	118.7362	1.025	258	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Pd<4>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|Pd<4>,2|C<3>,2|H<1>}	118.5244	1.016	5	118.5482	0.709	36	118.7362	1.025	258	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	118.3005	0.588	4	118.5482	0.709	36	118.7362	1.025	258	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	118.6240	0.375	2	118.5482	0.709	36	118.7362	1.025	258	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|O<2>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|H<1>,1|O<2>,3|C<3>}	118.3620	0.000	1	118.5482	0.709	36	118.7362	1.025	258	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<2>,1|O<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<2>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	118.8920	0.000	1	118.8920	0.000	1	118.7362	1.025	258	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	118.8070	0.000	1	118.5423	0.828	36	118.7362	1.025	258	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|Fe<10>,1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	117.3330	0.585	2	118.5423	0.828	36	118.7362	1.025	258	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|Fe<10>,1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	117.1610	0.000	1	118.5423	0.828	36	118.7362	1.025	258	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|Fe<10>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	117.0480	0.000	1	118.5423	0.828	36	118.7362	1.025	258	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	116.9040	0.000	1	118.5423	0.828	36	118.7362	1.025	258	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	118.7615	0.824	24	118.5423	0.828	36	118.7362	1.025	258	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	118.4407	0.351	4	118.5423	0.828	36	118.7362	1.025	258	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	119.4495	0.097	2	118.5423	0.828	36	118.7362	1.025	258	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	117.8750	0.000	1	117.9460	0.705	3	118.7362	1.025	258	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|Pt<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|Pt<4>,2|C<3>,2|H<1>}	117.1440	0.000	1	117.9460	0.705	3	118.7362	1.025	258	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	118.8190	0.000	1	117.9460	0.705	3	118.7362	1.025	258	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|O<2>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|H<1>,2|C<3>,2|O<2>}	117.6440	0.000	1	118.5793	0.419	10	118.7362	1.025	258	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	117.6790	0.000	1	118.5793	0.419	10	118.7362	1.025	258	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|F<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|F<1>,1|H<1>,3|C<3>}	118.5135	0.149	2	118.5793	0.419	10	118.7362	1.025	258	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	118.9505	0.120	4	118.5793	0.419	10	118.7362	1.025	258	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	118.8205	1.160	2	118.5793	0.419	10	118.7362	1.025	258	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|Cl<1>,2|C<3>,2|H<1>}	119.3737	0.540	3	119.5026	0.177	5	118.7362	1.025	258	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|Cl<1>,1|H<1>,3|C<3>}	119.6960	0.044	2	119.5026	0.177	5	118.7362	1.025	258	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|B<4>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|B<4>,1|C<3>,3|H<1>}	118.1857	0.809	4	118.9264	0.216	51	118.7362	1.025	258	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	118.9623	0.337	20	118.9264	0.216	51	118.7362	1.025	258	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|P<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|P<3>,3|H<1>}	119.0180	0.000	1	118.9264	0.216	51	118.7362	1.025	258	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	119.0092	0.412	26	118.9264	0.216	51	118.7362	1.025	258	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|S<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	120.1130	0.000	1	120.1130	0.000	1	118.7362	1.025	258	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|N<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(S[5a]C[5a]){1|C<3>,3|H<1>}	117.2990	0.000	1	117.2990	0.000	1	118.7362	1.025	258	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)(S[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	118.1420	0.000	1	118.1420	0.000	1	118.7362	1.025	258	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]Ir)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]Ir)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Ir<6>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|Ir<6>,2|C<3>,2|H<1>}	117.3874	1.394	13	117.4327	1.619	16	118.7362	1.025	258	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]Ir)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]Ir)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Ir<7>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|Ir<7>,2|C<3>,2|H<1>}	117.6293	0.642	3	117.4327	1.619	16	118.7362	1.025	258	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	119.1173	0.893	6	118.9120	0.725	8	118.7362	1.025	258	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	118.2960	0.281	2	118.9120	0.725	8	118.7362	1.025	258	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	119.7080	0.000	1	119.7080	0.000	1	118.7362	1.025	258	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){1|F<1>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	120.9670	0.000	1	120.9670	0.000	1	118.7362	1.025	258	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	119.1030	0.000	1	119.8785	0.306	8	118.7362	1.025	258	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	119.9893	0.492	7	119.8785	0.306	8	118.7362	1.025	258	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]P)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]P)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	117.9623	0.502	12	118.0144	0.238	16	118.7362	1.025	258	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]P)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]P)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|P<4>,2|C<3>,2|H<1>}	118.1707	0.471	4	118.0144	0.238	16	118.7362	1.025	258	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]P[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]P[5])(C[6a]C[6a]H){1|C<3>,1|P<4>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|P<3>,1|P<4>,2|H<1>}	117.5130	0.000	1	117.5130	0.000	1	118.7362	1.025	258	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]Pd)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]Pd)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Pd<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|Pd<4>,2|C<3>,2|H<1>}	116.8050	0.035	2	116.8050	0.001	2	118.7362	1.025	258	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]Pt)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]Pt)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Pt<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|Pt<4>,2|C<3>,2|H<1>}	117.3820	0.000	1	117.5947	0.410	3	118.7362	1.025	258	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]Pt)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]Pt)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Pt<6>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|Pt<6>,2|C<3>,2|H<1>}	117.7010	0.867	2	117.5947	0.410	3	118.7362	1.025	258	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	118.7650	0.000	1	118.6510	0.010	3	118.7362	1.025	258	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,2|H<1>,2|S<4>}	118.6170	0.000	1	118.6510	0.010	3	118.7362	1.025	258	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|S<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|S<2>,3|H<1>}	118.5710	0.000	1	118.6510	0.010	3	118.7362	1.025	258	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]S)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|S<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){2|C<3>,3|S<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]S)(S[5a]C[5a]){1|C<3>,1|H<1>,3|S<2>}	118.1120	0.000	1	118.1120	0.000	1	118.7362	1.025	258	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]Sn)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]Sn)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Sn<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|Sn<4>,2|C<3>,2|H<1>}	117.3435	0.459	2	117.3435	0.211	2	118.7362	1.025	258	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]N[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]N[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|S<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]N[5a]){1|C<3>,1|N<3>,2|H<1>}	119.3055	0.672	2	119.3055	0.452	2	118.7362	1.025	258	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C[5])(S[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C[5])(S[5a]N[5a]){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	120.5880	0.000	1	120.5880	0.000	1	118.7362	1.025	258	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]N[5a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	120.2621	0.321	10	120.3989	0.091	21	118.7362	1.025	258	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]N[5a]){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	120.3590	0.236	2	120.3989	0.091	21	118.7362	1.025	258	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]N[5a]){1|C<3>,1|O<1>,3|H<1>}	120.5235	0.019	2	120.3989	0.091	21	118.7362	1.025	258	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]N[5a]){1|O<1>,2|C<3>,2|H<1>}	120.5701	0.263	7	120.3989	0.091	21	118.7362	1.025	258	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a]){1|C<2>,1|C<3>,3|H<1>}	117.2860	0.000	1	116.8019	0.150	7	116.9122	0.393	104	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,3|H<1>}	116.7373	0.467	3	116.8019	0.150	7	116.9122	0.393	104	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a]){2|C<3>,3|H<1>}	116.4620	0.000	1	116.8019	0.150	7	116.9122	0.393	104	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	116.8265	0.315	2	116.8019	0.150	7	116.9122	0.393	104	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]){2|H<1>,3|C<3>}	115.3400	0.000	1	115.9957	0.324	3	116.9122	0.393	104	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]){2|H<1>,3|C<3>}	116.2810	0.000	1	115.9957	0.324	3	116.9122	0.393	104	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,4|C<3>}	116.3660	0.000	1	115.9957	0.324	3	116.9122	0.393	104	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[6a]){3|H<1>,4|C<3>}	116.4870	0.000	1	116.4870	0.000	1	116.9122	0.393	104	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a]){2|C<3>,3|H<1>}	116.7610	0.426	9	116.7610	0.181	9	116.9122	0.393	104	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]S)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]S)(N[6a]C[6a]){2|C<3>,3|H<1>}	116.6980	0.000	1	116.6980	0.000	1	116.9122	0.393	104	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a]){1|C<3>,4|H<1>}	116.9880	0.000	1	116.9880	0.000	1	116.9122	0.393	104	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]B)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|B<4>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]B)(N[6a]C[6a]){1|C<3>,4|H<1>}	117.3625	0.191	4	117.3176	0.203	9	116.9122	0.393	104	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]B)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|B<5>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]B)(N[6a]C[6a]){1|C<3>,4|H<1>}	117.2816	0.613	5	117.3176	0.203	9	116.9122	0.393	104	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,4|H<1>}	116.8670	0.000	1	116.8670	0.000	1	116.9122	0.393	104	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[6a]){3|H<1>,4|C<3>}	116.7735	0.192	2	117.0442	0.452	11	116.9122	0.393	104	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[6a]){1|N<2>,2|C<3>,4|H<1>}	117.3363	0.597	7	117.0442	0.452	11	116.9122	0.393	104	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[6a]){3|C<3>,4|H<1>}	116.2925	0.682	2	117.0442	0.452	11	116.9122	0.393	104	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,3|H<1>}	116.9260	0.000	1	116.8922	0.216	9	116.9122	0.393	104	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a]){1|C<3>,4|H<1>}	116.7870	0.631	3	116.8922	0.216	9	116.9122	0.393	104	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a]){2|C<3>,3|H<1>}	116.9486	0.470	5	116.8922	0.216	9	116.9122	0.393	104	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]N)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]N)(N[6a]C[6a]){1|C<3>,4|H<1>}	116.1030	0.236	2	116.1030	0.056	2	116.9122	0.393	104	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]N[6a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]N[6a])(N[6a]C[6a]){3|C<3>,4|H<1>}	116.2060	0.344	2	116.2060	0.118	2	116.9122	0.393	104	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Pd)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Pd<4>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Pd)(N[6a]C[6a]){1|C<3>,4|H<1>}	116.9270	0.000	1	116.9270	0.000	1	116.9122	0.393	104	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Pt)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Pt<4>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Pt)(N[6a]C[6a]){1|C<3>,4|H<1>}	116.9150	0.000	1	116.9150	0.000	1	116.9122	0.393	104	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Si)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Si<4>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Si)(N[6a]C[6a]){1|C<3>,4|H<1>}	116.7027	0.466	28	116.7027	0.217	28	116.9122	0.393	104	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a]){2|C<3>,2|H<1>}	118.1330	0.000	1	118.1330	0.000	1	116.9122	0.393	104	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|S<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a]){1|C<3>,1|S<2>,3|H<1>}	117.3880	0.185	2	117.3880	0.034	2	116.9122	0.393	104	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){2|C<3>,2|H<1>}	116.0000	1.267	2	116.2563	1.000	3	116.9122	0.393	104	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|H<1>,3|C<3>}	116.7690	0.000	1	116.2563	1.000	3	116.9122	0.393	104	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,2|H<1>}	116.9520	0.000	1	116.9520	0.000	1	116.9122	0.393	104	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,2|H<1>}	117.9055	0.694	2	117.9055	0.481	2	116.9122	0.393	104	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,2|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	117.5970	0.000	1	117.5660	0.001	3	116.9122	0.393	104	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	117.5700	0.000	1	117.5660	0.001	3	116.9122	0.393	104	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	117.5310	0.000	1	117.5660	0.001	3	116.9122	0.393	104	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Cl<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	118.4230	0.000	1	118.4230	0.000	1	116.9122	0.393	104	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	116.7100	0.000	1	116.7100	0.000	1	116.9122	0.393	104	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]I)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]I)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|I<1>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a]){1|C<3>,1|I<1>,2|H<1>}	117.7050	0.000	1	117.7050	0.000	1	116.9122	0.393	104	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]O)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<1>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a]){1|H<1>,1|O<1>,3|C<3>}	117.9647	0.174	3	117.9647	0.030	3	116.9122	0.393	104	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6,6,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6,6,6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6,6,6a]H)(H)	C[5a,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6,6,6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6,6,6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a]){1|C<4>,3|H<1>,4|C<3>}	119.1513	0.401	4	119.1513	0.161	4	119.1513	0.161	4	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]C)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]O[5a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[6a]O[5a])(C[6a]C[6a]H){5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]C)(H){1|N<2>,1|O<2>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]O[5a]){2|H<1>,4|C<3>}	119.4700	0.000	1	119.4700	0.000	1	120.6122	0.556	5	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]){2|C<4>,2|H<1>,3|C<3>}	121.5500	0.000	1	120.8978	0.197	4	120.6122	0.556	5	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]){3|H<1>,4|C<3>}	120.6803	0.110	3	120.8978	0.197	4	120.6122	0.556	5	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	118.8540	0.000	1	119.0310	0.063	2	119.2236	0.179	10	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a]){1|C<4>,3|C<3>,3|H<1>}	119.2080	0.000	1	119.0310	0.063	2	119.2236	0.179	10	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]O)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	119.4170	0.000	1	119.4170	0.000	1	119.2236	0.179	10	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|O<2>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a]){2|H<1>,5|C<3>}	118.2330	0.000	1	118.2330	0.000	1	119.2236	0.179	10	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|O<2>,1|S<2>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a]){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	119.7830	0.000	1	119.4207	0.044	6	119.2236	0.179	10	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|O<2>,1|S<3>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a]){1|C<4>,1|S<3>,2|H<1>,3|C<3>}	119.3700	0.000	1	119.4207	0.044	6	119.2236	0.179	10	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|O<2>,1|S<4>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a]){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	119.3220	0.168	3	119.4207	0.044	6	119.2236	0.179	10	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|O<2>,1|S<3>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a]){1|S<3>,2|H<1>,4|C<3>}	119.4050	0.000	1	119.4207	0.044	6	119.2236	0.179	10	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|S<2>,4|C<3>}	C[5a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	119.1335	0.158	2	119.1335	0.025	2	119.2552	0.512	23	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|S<2>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	118.8805	0.795	4	118.8805	0.632	4	119.2552	0.512	23	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|Cl<1>,1|S<2>,3|C<3>}	C[5a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){1|Cl<1>,1|C<4>,1|H<1>,1|S<2>,3|C<3>}	120.8055	0.354	2	120.8055	0.126	2	119.2552	0.512	23	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[5,6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[5,6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){2|H<1>,5|C<3>}	120.3070	0.000	1	120.3070	0.000	1	119.2552	0.512	23	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){1|C<4>,3|C<3>,3|H<1>}	118.6397	0.531	3	119.0830	0.177	14	119.2552	0.512	23	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){3|H<1>,4|C<3>}	119.0990	0.372	6	119.0830	0.177	14	119.2552	0.512	23	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){1|O<2>,3|C<3>,3|H<1>}	119.5730	0.000	1	119.0830	0.177	14	119.2552	0.512	23	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){3|C<3>,4|H<1>}	119.2690	0.165	4	119.0830	0.177	14	119.2552	0.512	23	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]){3|H<1>,4|C<3>}	117.1580	0.000	1	117.1580	0.000	1	116.5925	0.640	2	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]){3|C<3>,4|H<1>}	116.0270	0.000	1	116.0270	0.000	1	116.5925	0.640	2	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:I-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]I)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(I)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]I){1|C<3>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(I){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|I<1>,2|C<3>,2|H<1>}	118.2530	0.000	1	118.2530	0.000	1	118.2530	0.000	1	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:N[5a]-3:O[6a]-2:	C[5a,6a](C[5a,6a]N[5a]O[6a])(C[5a]N[5a]C)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(O[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]O[6a])(C[5a]N[5a]C)(C[6a]C[6a]O){1|Cl<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(O){1|N<2>,1|N<3>,1|O<2>,2|C<4>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(O[6a]C[6a]){1|O<1>,2|C<4>,3|C<3>}	120.4240	0.051	2	120.4240	0.003	2	120.2013	0.150	3	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:N[5a]-3:O[6a]-2:	C[5a,6a](C[5a,6a]N[5a]O[6a])(C[5a]N[5a]C)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(O[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]O[6a])(C[5a]N[5a]C)(C[6a]C[6a]O){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(O){1|N<2>,1|N<3>,1|O<2>,2|C<4>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(O[6a]C[6a]){1|O<1>,2|C<4>,3|C<3>}	119.7560	0.000	1	119.7560	0.000	1	120.2013	0.150	3	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:N[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C)(O[5a]C[5a])	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]O){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C)(O[5a]C[5a]){1|H<1>,1|O<1>,3|C<3>}	119.4970	0.000	1	119.4970	0.000	1	119.4970	0.000	1	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|S<2>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	119.3700	0.371	2	119.3700	0.137	2	119.3700	0.137	2	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]N[6a]O){1|C<3>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<4>,1|O<1>,1|S<4>,2|N<3>}	123.0620	0.000	1	122.9913	0.078	3	122.9913	0.078	3	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]N[6a]O){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O){1|N<2>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|O<1>,2|C<3>,2|N<3>}	122.9560	0.386	2	122.9913	0.078	3	122.9913	0.078	3	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]N[5a]C)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]N[6a])(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]C)(O[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]N[5a]C)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]N[6a])(O){1|C<4>,1|N<2>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]C)(O[5a]N[5a]){1|C<4>,1|N<3>,1|O<1>}	119.9040	0.000	1	119.9040	0.000	1	119.9040	0.000	1	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]N)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]N)(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]N)(C[6a]N[6a]O){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]N)(O){1|N<3>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|O<1>,2|C<3>,2|N<3>}	121.6650	0.000	1	121.6650	0.000	1	121.6650	0.000	1	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]O){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O){1|C<2>,1|C<3>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<2>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,2|N<3>}	117.1890	0.000	1	117.1890	0.000	1	118.8028	0.679	26	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6])(C[6a]N[6a]O){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|N<2>,1|N<3>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a]){1|N<3>,1|O<1>,1|S<2>,2|C<3>}	118.4080	0.000	1	118.4080	0.000	1	118.8028	0.679	26	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|S<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]){1|N<3>,1|O<1>,1|S<2>,2|H<1>}	118.4713	0.354	3	118.4713	0.125	3	118.8028	0.679	26	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|O<1>,1|O<2>,2|N<3>,3|H<1>}	116.7720	0.000	1	117.2795	0.515	2	118.8028	0.679	26	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	117.7870	0.000	1	117.2795	0.515	2	118.8028	0.679	26	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]Br)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]Br)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O){1|Br<1>,2|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a]){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	118.5610	0.000	1	118.5610	0.000	1	118.8028	0.679	26	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){1|C<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|N<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	119.9990	0.294	2	119.9990	0.087	2	118.8028	0.679	26	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){1|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|S<2>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,1|S<2>}	119.1439	0.453	9	119.1439	0.205	9	118.8028	0.679	26	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|N<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a]){1|N<3>,1|O<1>,2|H<1>}	119.4200	0.000	1	119.4200	0.000	1	118.8028	0.679	26	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|S<2>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,1|S<2>}	118.3955	0.312	2	118.4153	0.034	4	118.8028	0.679	26	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O){1|N<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|N<3>,1|O<1>,2|H<1>}	118.4350	0.045	2	118.4153	0.034	4	118.8028	0.679	26	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]S)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]S)(C[6a]N[6a]O){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O){1|N<3>,1|O<2>,1|S<2>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<3>}	119.9570	0.000	1	119.9570	0.000	1	118.8028	0.679	26	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]S)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]N)(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]S)(C[6a]N[6a]O){1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]N)(O){1|S<2>,2|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|O<1>,1|S<2>,2|C<3>,2|N<3>}	119.4120	0.000	1	119.4120	0.000	1	118.8028	0.679	26	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]C)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C)(O[5a]C[5a])	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]C)(C[6a]N[6a]O){2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C)(O[5a]C[5a]){1|N<3>,2|C<3>,2|O<1>}	118.9940	0.000	1	119.0590	0.008	2	119.0590	0.008	2	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]C)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C)(O[5a]C[5a])	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]C)(C[6a]N[6a]O){4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C)(O[5a]C[5a]){1|N<3>,2|C<3>,2|O<1>}	119.1240	0.000	1	119.0590	0.008	2	119.0590	0.008	2	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]N[6a,6a]S[5a])(C[5a]C[5a]C)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a]H)(O)	C[5a,6a](N[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]N[6a,6a]S[5a])(C[5a]C[5a]C)(C[6a]N[6a]O){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a]H)(O){1|C<4>,1|N<3>,1|S<2>,2|C<3>}	C[5a,6a](N[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){1|N<3>,2|C<3>,2|C<4>,2|O<1>}	119.0580	0.000	1	119.0580	0.000	1	119.0580	0.000	1	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5,6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]Cl)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]N[5])(Cl)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]Cl)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]N[5])(Cl){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(S[5a]C[5a]){1|Cl<1>,2|C<3>,2|H<1>}	118.2670	0.000	1	118.2670	0.000	1	118.2670	0.000	1	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]N){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|N<3>,2|C<3>,2|O<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	119.7930	0.000	1	120.1835	0.305	2	120.1959	0.100	11	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]N){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|N<3>,2|C<3>,2|O<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a]){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	120.5740	0.000	1	120.1835	0.305	2	120.1959	0.100	11	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]O){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H){2|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a]){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	119.6360	0.000	1	119.6360	0.000	1	120.1959	0.100	11	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]S){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|S<3>,2|C<3>,2|O<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<2>,1|S<3>}	120.0760	0.000	1	120.2690	0.048	8	120.1959	0.100	11	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]S){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|S<4>,2|C<3>,2|O<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<2>,1|S<4>}	120.4730	0.000	1	120.2690	0.048	8	120.1959	0.100	11	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]S){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|S<3>,2|C<3>,2|O<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a]){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	120.2672	0.227	6	120.2690	0.048	8	120.1959	0.100	11	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]H){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(H){1|S<2>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	118.9450	0.123	2	118.9450	0.015	2	118.9450	0.015	2	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]Br)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(Br)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]Br)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(Br){1|H<1>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C)(O[5a]C[5a]){1|Br<1>,2|C<3>,2|H<1>}	119.7040	0.000	1	119.7040	0.000	1	119.7040	0.000	1	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]S){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(H){1|O<2>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a]){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	120.2980	0.000	1	120.2980	0.000	1	120.3430	0.008	3	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]C[5a])2(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]S){2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])2(H){2|O<2>,2|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C)(O[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<2>,1|S<2>}	120.3655	0.112	2	120.3655	0.013	2	120.3430	0.008	3	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[5a])(H){1|H<1>,3|C<3>,3|S<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	119.2380	0.664	4	119.3465	0.370	6	119.4509	0.356	24	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[5a])(H){1|H<1>,3|C<3>,3|S<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a]){1|C<3>,1|S<2>,3|H<1>}	119.5635	0.623	2	119.3465	0.370	6	119.4509	0.356	24	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|N<3>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	118.8680	0.000	1	118.8680	0.000	1	119.4509	0.356	24	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H){1|B<6>,1|C<3>,1|H<1>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a]){1|B<6>,2|C<3>,2|H<1>}	119.4205	0.611	4	119.4422	0.314	13	119.4509	0.356	24	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	118.4740	0.000	1	119.4422	0.314	13	119.4509	0.356	24	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H){1|C<3>,1|H<1>,2|S<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	119.2817	0.546	3	119.4422	0.314	13	119.4509	0.356	24	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H){1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	119.6390	0.324	4	119.4422	0.314	13	119.4509	0.356	24	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H){1|H<1>,1|S<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	120.1910	0.000	1	119.4422	0.314	13	119.4509	0.356	24	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])2(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])2(H){2|H<1>,2|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	119.2755	0.820	2	119.2755	0.672	2	119.4509	0.356	24	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]S){1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H){2|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	120.1570	0.000	1	120.1570	0.000	1	119.4509	0.356	24	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]Se)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]Se){1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H){1|Se<2>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a]){1|Se<2>,2|C<3>,2|H<1>}	120.4180	0.000	1	120.4180	0.000	1	119.4509	0.356	24	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[5a,6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]C){1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(H){1|C<4>,1|N<3>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[5a,6a]){1|C<4>,1|H<1>,4|C<3>}	120.0820	0.000	1	120.0820	0.000	1	119.6340	0.401	2	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])2(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[5a,6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]C){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])2(H){2|C<4>,2|N<3>,3|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[5a,6a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	119.1860	0.000	1	119.1860	0.000	1	119.6340	0.401	2	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]H)(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6,6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]H)(C[5a]N[5a]C){1|C<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6,6a]){1|C<4>,1|H<1>,4|C<3>}	117.2930	0.000	1	117.3501	0.355	8	117.3501	0.355	8	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]H)(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6,6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]H)(C[5a]N[5a]C){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(H){1|N<3>,1|O<1>,2|N<2>,3|C<4>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6,6a]){1|H<1>,2|C<4>,3|C<3>}	117.3583	0.643	7	117.3501	0.355	8	117.3501	0.355	8	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(O[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	118.7990	0.000	1	118.7990	0.000	1	119.0426	0.282	5	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]C[6a])(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]H){4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|O<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]C[6a])(O[5a]C[5a]){2|H<1>,5|C<3>}	118.6985	0.603	2	118.6985	0.364	2	119.0426	0.282	5	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]O)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]H){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H){2|H<1>,2|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]O)(O[5a]C[5a]){1|C<3>,1|O<2>,3|H<1>}	119.5085	0.187	2	119.5085	0.035	2	119.0426	0.282	5	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]2)(H){1|H<1>,1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	118.8835	0.583	2	118.8835	0.340	2	119.4061	0.255	7	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|S<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	119.4440	0.000	1	119.6440	0.046	3	119.4061	0.255	7	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|C<2>,1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	119.7440	0.181	2	119.6440	0.046	3	119.4061	0.255	7	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]I)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]I){1|Si<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,1|I<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(S[5a]C[5a]){1|Si<4>,1|H<1>,1|I<1>,2|C<3>}	119.1680	0.000	1	119.1680	0.000	1	119.4061	0.255	7	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]S){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,2|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(S[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	119.9760	0.000	1	119.9760	0.000	1	119.4061	0.255	7	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H)(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a,6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H)(C[5a]N[5a]C){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,4|C<3>}	117.8520	0.000	1	117.8520	0.000	1	118.1077	0.037	7	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H)(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a,6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H)(C[5a]N[5a]H){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a,6a]){2|H<1>,4|C<3>}	117.9690	0.075	2	118.1503	0.029	6	118.1077	0.037	7	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H)(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a,6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H)(C[5a]N[5a]H){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a,6a]){2|H<1>,4|C<3>}	118.2410	0.119	4	118.1503	0.029	6	118.1077	0.037	7	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:O-1:	C[5a,6a]-3:N[5a]-3:O[6a]-2:	C[5a,6a](C[5a,6a]N[5a]O[6a])(C[6a]C[6a,6a]O)(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(O[6a]C[6a,6a])	C[5a,6a](C[5a,6a]N[5a]O[6a])(C[6a]C[6a,6a]O)(C[5a]N[5a]C){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(O){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(O[6a]C[6a,6a]){1|C<4>,1|O<1>,4|C<3>}	120.8710	0.000	1	120.8710	0.000	1	120.8710	0.000	1	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:O-1:	C[5a,6a]-3:N[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a,6a]O)(C[5a]N[5a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a]C[3])(S[5a]N[5a])	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a,6a]O)(C[5a]N[5a]O){1|C<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(O){1|H<1>,1|N<2>,1|N<3>,1|O<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a]C[3])(S[5a]N[5a]){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	120.4450	0.000	1	120.4450	0.000	1	120.4450	0.000	1	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[6a]C[6a]Br)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(Br)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[6a]C[6a]Br)(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(Br){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){1|Br<1>,2|H<1>,4|C<3>}	117.3610	0.000	1	117.3610	0.000	1	117.3610	0.000	1	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(Cl)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(C[5a]N[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(Cl){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	119.9820	0.000	1	119.9820	0.000	1	119.9820	0.000	1	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]Cl)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Cl)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]Cl)(C[5a]C[5a]H){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Cl){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a]){1|Cl<1>,1|C<3>,3|H<1>}	115.8030	0.000	1	115.8030	0.000	1	115.5790	0.100	2	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]Cl)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Cl)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]S)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]Cl)(C[5a]C[5a]H){1|C<3>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Cl){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]S)(N[6a]C[6a]){1|Cl<1>,1|C<3>,3|H<1>}	115.3550	0.000	1	115.3550	0.000	1	115.5790	0.100	2	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]Cl)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Cl)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C)(N[5a]C[5a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]Cl)(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Cl){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C)(N[5a]C[5a]){1|Cl<1>,2|C<3>,2|H<1>}	118.0690	0.000	1	118.0690	0.000	1	118.0690	0.000	1	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	124.0735	0.582	2	124.0735	0.339	2	123.5697	0.931	3	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]N[5a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(H){1|C<3>,1|H<1>,2|N<2>,4|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	122.5620	0.000	1	122.5620	0.000	1	123.5697	0.931	3	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])2(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	124.1430	0.000	1	124.0743	0.006	3	123.6467	0.735	4	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]H){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])2(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	124.0400	0.069	2	124.0743	0.006	3	123.6467	0.735	4	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]Ru)	C[6a](C[5a,6a]C[5a,6a]N[5a])2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]Ru){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])2(H){1|Ru<6>,1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	122.3640	0.000	1	122.3640	0.000	1	123.6467	0.735	4	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6,6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6,6a]H)(N[5a]C[5a]C){1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,1|H<1>,1|O<2>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	120.2270	0.000	1	120.2270	0.000	1	120.2270	0.000	1	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]C[6a])(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a]C){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	122.9135	0.360	2	122.9135	0.130	2	122.9982	0.132	6	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	122.7820	0.000	1	122.8367	0.005	3	122.9982	0.132	6	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	122.8640	0.076	2	122.8367	0.005	3	122.9982	0.132	6	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a]H){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(H){1|H<1>,2|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	123.6520	0.000	1	123.6520	0.000	1	122.9982	0.132	6	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]C[5a]H){1|Br<1>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]C[5a]){1|Br<1>,2|C<3>,2|H<1>}	120.8740	0.000	1	120.8740	0.000	1	120.8740	0.000	1	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]Br)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]Br)(N[5a]C[5a]C){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	118.5160	0.000	1	118.5160	0.000	1	118.5160	0.000	1	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(N[5a]C[5a]C){2|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(N[5a]C[5a]){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	120.9320	0.000	1	120.9320	0.000	1	121.4845	0.503	4	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(N[5a]C[5a]H){2|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(N[5a]C[5a]){2|Cl<1>,1|C<3>,2|H<1>}	121.6687	0.742	3	121.6687	0.551	3	121.4845	0.503	4	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]Cl)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]Cl)(N[5a]C[5a]C){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	118.7320	0.000	1	118.7320	0.000	1	118.7320	0.000	1	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]Cl)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]Cl)(N[5a]C[5a]C){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	117.2620	0.000	1	117.2620	0.000	1	117.2620	0.000	1	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a]H){1|C<3>,1|H<1>,2|F<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a]){1|C<3>,2|F<1>,2|H<1>}	121.0420	0.465	2	121.0150	0.048	7	121.0150	0.048	7	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a]H){2|C<3>,2|F<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a]){1|H<1>,2|C<3>,2|F<1>}	121.0042	0.130	5	121.0150	0.048	7	121.0150	0.048	7	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H){1|C<3>,1|C<4>,3|N<2>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	123.4305	0.039	2	123.4305	0.002	2	123.4305	0.002	2	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,3|H<1>}	119.7690	0.000	1	119.7690	0.000	1	120.5493	0.459	3	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){2|C<3>,3|H<1>}	120.9395	0.073	2	120.9395	0.005	2	120.5493	0.459	3	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H){1|C<4>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	122.7520	0.000	1	122.7520	0.000	1	122.5680	0.495	4	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	122.5067	0.849	3	122.5067	0.720	3	122.5680	0.495	4	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|C<4>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	122.5510	0.000	1	122.5510	0.000	1	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	121.7990	0.197	2	122.5775	0.450	6	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,4|C<3>}	123.1035	0.422	2	122.5775	0.450	6	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	122.8300	0.376	2	122.5775	0.450	6	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	123.1188	0.295	8	123.1188	0.087	8	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]C[5a]){2|H<1>,3|C<3>}	122.9290	0.245	4	122.9290	0.060	4	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<2>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	122.9315	0.067	2	122.1979	0.239	19	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<2>,1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	122.3740	0.000	1	122.1979	0.239	19	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|N<2>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	122.0730	0.496	9	122.1979	0.239	19	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|N<2>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|H<1>,3|C<4>}	122.2990	0.000	1	122.1979	0.239	19	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|N<2>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	122.0947	0.448	6	122.1979	0.239	19	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C[5])(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	123.4820	0.000	1	123.4820	0.000	1	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Cl<1>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	122.4740	0.000	1	122.4740	0.000	1	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	122.7490	0.000	1	123.0515	0.277	4	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	122.5490	0.000	1	123.0515	0.277	4	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	123.4540	0.403	2	123.0515	0.277	4	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	122.4476	0.432	58	122.3610	0.428	335	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	122.6410	0.000	1	122.3610	0.428	335	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	122.2517	0.546	3	122.3610	0.428	335	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	122.7993	0.228	4	122.3610	0.428	335	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|I<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|I<1>,2|H<1>}	123.2630	0.000	1	122.3610	0.428	335	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	122.0130	0.000	1	122.3610	0.428	335	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	121.9857	0.433	4	122.3610	0.428	335	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	122.7940	0.071	3	122.3610	0.428	335	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	122.6960	0.596	3	122.3610	0.428	335	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	122.8420	0.540	2	122.3610	0.428	335	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|P<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	122.0950	0.000	1	122.3610	0.428	335	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	121.7971	2.067	9	122.3610	0.428	335	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	121.9560	0.000	1	122.3610	0.428	335	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|S<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<2>,1|S<3>}	122.0780	0.000	1	122.3610	0.428	335	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	122.5884	0.422	76	122.3610	0.428	335	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	122.2023	0.506	3	122.3610	0.428	335	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	122.2120	0.692	8	122.3610	0.428	335	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Cl<1>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	122.5165	0.250	4	122.3610	0.428	335	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Cl<1>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	122.5540	0.000	1	122.3610	0.428	335	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Se<2>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	121.9183	0.584	6	122.3610	0.428	335	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Si<4>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	121.4678	0.483	6	122.3610	0.428	335	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	122.2775	0.640	108	122.3610	0.428	335	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	122.3538	0.727	23	122.3610	0.428	335	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	122.3590	0.000	1	122.3610	0.428	335	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	121.9323	0.358	4	122.3610	0.428	335	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	122.1857	0.365	3	122.3610	0.428	335	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	123.0455	0.049	2	123.0455	0.002	2	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	122.8350	0.429	2	122.8855	0.075	6	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	122.9108	0.248	4	122.8855	0.075	6	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	122.0630	0.000	1	122.2905	0.104	2	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	122.5180	0.000	1	122.2905	0.104	2	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	124.5295	0.005	2	124.5295	0.000	2	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl)(H){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	122.0797	0.370	3	122.0797	0.137	3	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a]C[6a])(H){1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	122.8640	0.000	1	122.8640	0.000	1	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	122.4375	0.531	2	122.4375	0.282	2	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	121.7857	0.291	3	121.2370	0.890	14	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|S<2>,3|H<1>}	121.3230	0.000	1	121.2370	0.890	14	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	120.3528	0.773	5	121.2370	0.890	14	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	122.2170	0.000	1	121.2370	0.890	14	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	121.2035	0.271	2	121.2370	0.890	14	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	123.0130	0.000	1	121.2370	0.890	14	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	121.2370	0.000	1	121.2370	0.890	14	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	122.6590	0.000	1	122.6590	0.000	1	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|F<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|F<1>,3|H<1>}	121.7330	0.000	1	121.7330	0.000	1	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]){2|C<3>,3|H<1>}	123.9740	0.000	1	123.9740	0.000	1	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	122.2935	0.510	2	122.1798	0.605	332	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	122.1711	0.627	110	122.1798	0.605	332	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,3|H<1>}	122.4248	0.338	6	122.1798	0.605	332	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	122.3750	0.370	38	122.1798	0.605	332	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|S<2>,3|H<1>}	122.2194	0.373	13	122.1798	0.605	332	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|S<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|S<3>,3|H<1>}	122.1515	0.284	2	122.1798	0.605	332	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	122.1815	0.180	2	122.1798	0.605	332	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,4|H<1>}	121.6991	0.927	11	122.1798	0.605	332	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	122.3690	0.000	1	122.1798	0.605	332	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	122.1850	1.219	2	122.1798	0.605	332	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	122.5670	0.000	1	122.1798	0.605	332	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	122.1526	0.972	144	122.1798	0.605	332	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	122.9650	0.177	2	123.0395	0.206	4	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<3>,4|H<1>}	123.1140	0.752	2	123.0395	0.206	4	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	122.8240	0.000	1	122.8690	0.004	2	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	122.9140	0.000	1	122.8690	0.004	2	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6])(H){1|F<1>,1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|F<1>,2|C<3>,2|H<1>}	123.2100	0.000	1	122.8280	0.292	2	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6])(H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	122.4460	0.000	1	122.8280	0.292	2	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	122.5555	0.219	4	122.9514	0.198	9	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	123.6340	0.000	1	122.9514	0.198	9	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>,1|O<2>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|S<2>,3|H<1>}	123.0850	0.000	1	122.9514	0.198	9	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>,1|O<2>,1|S<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|S<3>,3|H<1>}	123.3550	0.000	2	122.9514	0.198	9	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	122.9120	0.000	1	122.9514	0.198	9	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]S)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]S)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	123.0990	0.665	3	123.0990	0.443	3	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]N){1|Cl<1>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	122.3500	0.000	1	122.3500	0.000	1	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]N){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	123.3640	0.000	1	123.3640	0.000	1	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]P)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]P){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|P<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|P<3>,2|H<1>}	122.4725	0.148	6	122.3611	0.105	7	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]P)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]P){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|P<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,1|P<4>,2|H<1>}	121.6930	0.000	1	122.3611	0.105	7	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<2>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	122.8240	0.000	1	122.9235	0.020	2	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<2>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,1|S<4>,2|H<1>}	123.0230	0.000	1	122.9235	0.020	2	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,1|S<4>,2|H<1>}	122.6740	0.327	2	122.6066	0.183	5	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,1|S<4>,2|H<1>}	122.5720	0.000	1	122.6066	0.183	5	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|S<4>,2|C<3>,2|H<1>}	122.0040	0.000	1	122.6066	0.183	5	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	123.1090	0.000	1	122.6066	0.183	5	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]C[5a]){1|C<3>,1|S<4>,3|H<1>}	123.2360	0.000	1	123.2360	0.000	1	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]2){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|N<3>,2|H<1>}	122.9710	0.704	2	122.9710	0.496	2	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	122.7570	0.000	1	122.2570	0.500	2	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<3>,2|C<4>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|H<1>,2|C<4>}	121.7570	0.000	1	122.2570	0.500	2	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	123.0370	0.000	1	123.0370	0.000	1	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	122.4126	0.525	144	122.3502	0.289	174	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	122.0507	0.506	30	122.3502	0.289	174	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|O<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]N[5a]){2|C<3>,2|H<1>}	124.1410	0.192	3	124.1410	0.037	3	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]Cl)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|Cl<1>,1|H<1>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(H){1|C<3>,1|C<4>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]Cl)(N[5a]N[5a]){1|C<3>,1|C<4>,1|H<1>}	120.9450	0.000	1	120.9450	0.000	1	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,3|H<1>}	122.2996	0.577	18	122.2996	0.332	18	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|C<3>,2|O<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|C<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]N[5a]){1|C<3>,3|H<1>}	123.4680	0.000	1	123.4680	0.000	1	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]O){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|O<2>,2|H<1>}	123.2864	0.336	12	123.2864	0.113	12	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]S){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|S<4>,2|H<1>}	122.7090	0.172	4	122.7090	0.030	4	122.3383	0.516	1001	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]B[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|B<3>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|B<3>,1|C<3>,1|C<4>,2|H<1>}	120.7060	0.000	1	120.5737	0.057	3	120.8612	0.330	42	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]B[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Pt<4>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|Pt<4>,1|C<3>,1|C<4>,2|H<1>}	120.5075	0.295	2	120.5737	0.057	3	120.8612	0.330	42	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]B[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]B[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]B[5a]H){1|B<3>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|O<2>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|B<3>,1|C<3>,3|H<1>}	120.5340	0.000	1	120.5340	0.000	1	120.8612	0.330	42	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,1|H<1>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	119.9810	0.000	1	119.9810	0.000	1	120.8612	0.330	42	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	121.0053	0.659	4	121.0053	0.434	4	120.8612	0.330	42	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	121.4730	0.288	3	121.4730	0.083	3	120.8612	0.330	42	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	121.2360	0.452	5	120.8156	0.360	23	120.8612	0.330	42	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|I<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|I<3>,1|O<1>}	121.8170	0.000	1	120.8156	0.360	23	120.8612	0.330	42	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	120.9225	0.439	2	120.8156	0.360	23	120.8612	0.330	42	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|O<1>,2|C<3>,2|H<1>}	120.5945	0.552	15	120.8156	0.360	23	120.8612	0.330	42	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|O<1>,3|H<1>}	121.1840	0.000	1	121.1840	0.000	1	120.8612	0.330	42	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|O<1>,2|C<3>,2|H<1>}	121.3870	0.000	1	121.3500	0.012	3	120.8612	0.330	42	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|O<1>,3|H<1>}	121.3315	0.148	2	121.3500	0.012	3	120.8612	0.330	42	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	119.9710	0.000	1	120.3805	0.335	2	120.8612	0.330	42	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|O<1>,3|H<1>}	120.7900	0.000	1	120.3805	0.335	2	120.8612	0.330	42	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Si)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Si<4>,1|C<3>,1|H<1>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Si)(O[5a]C[5a]){1|C<3>,1|O<1>,3|H<1>}	120.7410	0.000	1	120.7410	0.000	1	120.8612	0.330	42	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	120.4092	0.363	6	120.5252	0.221	12	120.5732	0.215	14	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	120.6413	0.568	6	120.5252	0.221	12	120.5732	0.215	14	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|O<1>,3|H<1>}	120.8610	0.407	2	120.8610	0.166	2	120.5732	0.215	14	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,1|C<4>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	119.4760	0.236	6	119.4273	0.063	7	119.4193	0.161	12	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,1|C<4>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|O<1>,2|C<3>,2|H<1>}	119.1350	0.000	1	119.4273	0.063	7	119.4193	0.161	12	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,1|H<1>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	120.3560	0.000	1	119.8100	0.596	2	119.4193	0.161	12	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,1|H<1>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a]){1|O<1>,2|C<3>,2|H<1>}	119.2640	0.000	1	119.8100	0.596	2	119.4193	0.161	12	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Br<1>,1|C<3>,1|C<4>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|O<1>,3|H<1>}	119.1403	0.361	3	119.1403	0.131	3	119.4193	0.161	12	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|O<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C)(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(O[5a]C[5a]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	120.9820	0.000	1	120.9820	0.000	1	120.9820	0.000	1	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a]H){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|O<1>,3|H<1>}	122.7270	0.375	2	122.7270	0.140	2	122.7270	0.140	2	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]H){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|N<3>,1|O<1>,3|H<1>}	121.5780	0.000	1	121.5780	0.000	1	121.9317	0.291	3	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a]C){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<4>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	122.1085	0.629	2	122.1085	0.395	2	121.9317	0.291	3	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	120.2080	0.000	1	120.2080	0.000	1	120.2080	0.000	1	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	123.0166	0.548	111	123.0366	0.301	125	122.9990	0.290	212	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|I<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<4>,1|I<1>,1|N<3>,2|O<1>}	123.7945	0.446	2	123.0366	0.301	125	122.9990	0.290	212	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|N<2>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<4>,1|N<2>,1|N<3>,2|O<1>}	123.3410	0.000	1	123.0366	0.301	125	122.9990	0.290	212	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|N<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<4>,2|N<3>,2|O<1>}	123.6850	0.175	2	123.0366	0.301	125	122.9990	0.290	212	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|N<3>,2|C<4>,2|O<1>}	123.3160	0.000	1	123.0366	0.301	125	122.9990	0.290	212	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|Pd<4>,1|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|Pd<4>,1|C<4>,1|N<3>,2|O<1>}	122.6095	0.576	2	123.0366	0.301	125	122.9990	0.290	212	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,2|O<1>}	122.9822	0.459	6	123.0366	0.301	125	122.9990	0.290	212	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	122.4279	0.346	13	122.4279	0.120	13	122.9990	0.290	212	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]H){1|C<1>,1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|N<3>,2|H<1>,2|O<1>}	123.2240	0.000	1	123.0465	0.242	73	122.9990	0.290	212	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]H){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|N<3>,2|H<1>,2|O<1>}	123.0401	0.500	69	123.0465	0.242	73	122.9990	0.290	212	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]H){1|C<3>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	123.3730	0.000	1	123.0465	0.242	73	122.9990	0.290	212	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]H){2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<3>,2|O<1>}	123.0165	0.537	2	123.0465	0.242	73	122.9990	0.290	212	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|Br<1>,1|H<1>,1|N<3>,2|O<1>}	122.2550	0.000	1	122.2550	0.000	1	122.9990	0.290	212	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6,6,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6,6a]H)(N[5a]C[5a]H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a,6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6,6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6,6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a,6a]N[5a])(H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6,6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	121.9670	0.000	1	121.9670	0.000	1	121.9670	0.000	1	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a,6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,1|N<2>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6]){1|H<1>,4|C<3>}	121.6520	0.000	1	121.6520	0.000	1	121.6520	0.000	1	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]Br)(N[5a]C[5a,6])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|Br<1>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]Br)(N[5a]C[5a,6]){1|C<3>,2|C<4>,2|H<1>}	123.0240	0.000	1	123.0240	0.000	1	122.8475	0.062	2	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]Cl)(N[5a]C[5a,6])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]Cl)(H){1|Br<1>,1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]Cl)(N[5a]C[5a,6]){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	122.6710	0.000	1	122.6710	0.000	1	122.8475	0.062	2	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:S-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]N[6a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(N[6a]C[6a,6a]H)(S)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]N[6a]S){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(N[6a]C[6a,6a]H)(S){1|N<2>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6]){1|H<1>,1|N<3>,1|S<1>,4|C<3>}	124.1440	0.000	1	124.1440	0.000	1	124.1440	0.000	1	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6,6a]H){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(H){3|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)(N[5a]C[5a]){1|H<1>,1|N<2>,3|C<3>}	123.3890	0.000	1	123.3890	0.000	1	123.3890	0.000	1	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]F){1|C<4>,2|F<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F){1|F<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a]){1|C<4>,2|C<3>,2|F<1>}	121.5880	0.000	1	121.5880	0.000	1	121.5880	0.000	1	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a]){1|N<2>,3|C<3>,3|H<1>}	121.5470	0.000	1	121.5470	0.000	1	119.8840	0.450	9	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H){1|H<1>,1|N<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a]){3|H<1>,4|C<3>}	119.8545	0.247	2	119.8545	0.061	2	119.8840	0.450	9	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a]){1|N<2>,1|O<2>,2|C<3>,3|H<1>}	119.7435	0.261	2	119.6167	0.068	6	119.8840	0.450	9	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a]){1|O<2>,3|C<3>,3|H<1>}	119.6683	0.181	3	119.6167	0.068	6	119.8840	0.450	9	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a]){3|C<3>,4|H<1>}	119.2080	0.000	1	119.6167	0.068	6	119.8840	0.450	9	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	120.4685	0.260	2	120.4685	0.067	2	120.4685	0.067	2	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[3x6]C[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[3x6]C[5a])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	121.0580	0.000	1	121.0580	0.000	1	121.9116	1.058	205	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Ag)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Ag)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Ag<2>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Ag<2>,1|C<3>,1|C<4>,2|H<1>}	120.4000	0.000	1	120.4000	0.000	1	121.9116	1.058	205	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Al)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Al)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Al<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Al<4>,2|C<3>,2|H<1>}	121.9120	0.303	3	121.4915	0.769	4	121.9116	1.058	205	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Al)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Al)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Al<5>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Al<5>,2|C<3>,2|H<1>}	120.2300	0.000	1	121.4915	0.769	4	121.9116	1.058	205	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Au)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Au)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Au<2>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Au<2>,1|C<3>,1|C<4>,2|H<1>}	121.7550	0.000	1	120.8960	1.476	2	121.9116	1.058	205	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Au)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Au)(C[6a]C[6a]H){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Au<2>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Au<2>,1|C<3>,3|H<1>}	120.0370	0.000	1	120.8960	1.476	2	121.9116	1.058	205	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	121.8120	0.000	1	121.6442	0.301	5	121.9116	1.058	205	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,2|S<2>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	122.3200	0.000	1	121.6442	0.301	5	121.9116	1.058	205	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	120.8000	0.000	1	121.6442	0.301	5	121.9116	1.058	205	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	121.6970	0.000	1	121.6442	0.301	5	121.9116	1.058	205	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	121.5920	0.000	1	121.6442	0.301	5	121.9116	1.058	205	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	122.2730	0.000	1	121.5035	1.009	4	121.9116	1.058	205	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|Ru<8>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Ru<8>,2|C<3>,2|H<1>}	121.9320	0.000	1	121.5035	1.009	4	121.9116	1.058	205	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	120.9045	1.238	2	121.5035	1.009	4	121.9116	1.058	205	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	123.1640	0.000	1	123.2733	0.010	3	121.9116	1.058	205	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	123.3280	0.040	2	123.2733	0.010	3	121.9116	1.058	205	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	121.2620	0.000	1	122.6348	0.228	74	121.9116	1.058	205	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	123.1370	0.000	1	122.6348	0.228	74	121.9116	1.058	205	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	122.9806	0.293	7	122.6348	0.228	74	121.9116	1.058	205	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	123.8235	0.370	2	122.6348	0.228	74	121.9116	1.058	205	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	122.6191	0.393	38	122.6348	0.228	74	121.9116	1.058	205	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,4|C<3>}	122.5368	0.164	5	122.6348	0.228	74	121.9116	1.058	205	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	122.4927	0.455	20	122.6348	0.228	74	121.9116	1.058	205	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[5a])(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[5a])(N[5a]C[5a]){2|H<1>,5|C<3>}	123.0900	0.000	1	123.0900	0.000	1	121.9116	1.058	205	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[5a])(H){1|H<1>,1|N<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	122.9000	0.000	1	122.9000	0.000	1	121.9116	1.058	205	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	123.1950	0.000	1	123.0550	0.039	2	121.9116	1.058	205	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	122.9150	0.000	1	123.0550	0.039	2	121.9116	1.058	205	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Cd)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Cd)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cd<6>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cd<6>,1|C<3>,1|N<3>,2|H<1>}	121.6440	0.000	1	121.6440	0.000	1	121.9116	1.058	205	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Co)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Co)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Co<5>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Co<5>,1|C<3>,1|C<4>,2|H<1>}	120.7073	0.284	4	120.7581	0.076	10	121.9116	1.058	205	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Co)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Co)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Co<6>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Co<6>,2|C<3>,2|H<1>}	120.7920	0.292	6	120.7581	0.076	10	121.9116	1.058	205	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Cu)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Cu)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|Cu<5>,1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cu<5>,1|C<3>,1|H<1>,2|C<4>}	120.4530	0.000	1	120.4530	0.000	1	121.9116	1.058	205	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Cu)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Cu)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cu<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cu<4>,1|C<3>,1|C<4>,2|H<1>}	119.8435	0.640	2	120.3949	0.381	16	121.9116	1.058	205	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Cu)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Cu)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cu<5>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cu<5>,1|C<3>,1|C<4>,2|H<1>}	120.4624	0.522	5	120.3949	0.381	16	121.9116	1.058	205	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Cu)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Cu)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cu<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cu<4>,1|C<3>,1|N<3>,2|H<1>}	119.9530	0.110	2	120.3949	0.381	16	121.9116	1.058	205	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Cu)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Cu)(C[6a]C[6a]H){1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cu<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cu<4>,1|C<3>,1|S<2>,2|H<1>}	119.6840	0.000	1	120.3949	0.381	16	121.9116	1.058	205	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Cu)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Cu)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cu<3>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cu<3>,2|C<3>,2|H<1>}	121.4870	0.000	1	120.3949	0.381	16	121.9116	1.058	205	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Cu)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Cu)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cu<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cu<4>,2|C<3>,2|H<1>}	120.4903	0.469	4	120.3949	0.381	16	121.9116	1.058	205	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Cu)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Cu)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cu<5>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cu<5>,2|C<3>,2|H<1>}	121.2810	0.000	1	120.3949	0.381	16	121.9116	1.058	205	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Fe)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Fe)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Fe<5>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Fe<5>,1|C<3>,1|C<4>,2|H<1>}	120.8307	0.654	3	120.7974	0.156	10	121.9116	1.058	205	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Fe)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Fe)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Fe<6>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Fe<6>,1|C<3>,1|C<4>,2|H<1>}	120.5817	0.302	3	120.7974	0.156	10	121.9116	1.058	205	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Fe)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Fe)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Fe<6>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Fe<6>,1|C<3>,1|N<3>,2|H<1>}	120.6200	0.000	1	120.7974	0.156	10	121.9116	1.058	205	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Fe)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Fe)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Fe<6>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Fe<6>,2|C<3>,2|H<1>}	121.0390	0.083	3	120.7974	0.156	10	121.9116	1.058	205	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Ir)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Ir)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Ir<8>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Ir<8>,1|C<3>,1|N<3>,2|H<1>}	120.6480	0.000	1	121.3752	0.862	4	121.9116	1.058	205	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Ir)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Ir)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Ir<6>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Ir<6>,2|C<3>,2|H<1>}	121.6177	0.970	3	121.3752	0.862	4	121.9116	1.058	205	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	123.8500	0.206	2	123.8500	0.043	2	121.9116	1.058	205	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	123.0510	0.000	1	122.3500	0.384	5	121.9116	1.058	205	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	122.3280	0.000	1	122.3500	0.384	5	121.9116	1.058	205	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	122.6220	0.000	1	122.3500	0.384	5	121.9116	1.058	205	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	121.8745	0.719	2	122.3500	0.384	5	121.9116	1.058	205	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]I)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|H<1>,1|I<1>,1|S<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]I)(N[5a]N[5a]){2|C<3>,2|H<1>}	122.4110	0.552	2	122.4110	0.304	2	121.9116	1.058	205	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Ni)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Ni)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Ni<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Ni<4>,1|C<3>,1|C<4>,2|H<1>}	120.9140	0.491	2	120.6642	0.238	4	121.9116	1.058	205	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Ni)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Ni)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Ni<6>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Ni<6>,1|C<3>,1|C<4>,2|H<1>}	120.7490	0.000	1	120.6642	0.238	4	121.9116	1.058	205	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Ni)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Ni)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Ni<6>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Ni<6>,2|C<3>,2|H<1>}	120.0800	0.000	1	120.6642	0.238	4	121.9116	1.058	205	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Os)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Os)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Os<6>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Os<6>,2|C<3>,2|H<1>}	121.6175	0.861	2	121.6175	0.741	2	121.9116	1.058	205	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]P[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]P[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|N<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|P<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|P<4>,3|H<1>}	122.7278	0.453	4	122.7278	0.205	4	121.9116	1.058	205	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Re)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Re)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Re<6>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Re<6>,2|C<3>,2|H<1>}	121.4340	0.000	1	121.4340	0.000	1	121.9116	1.058	205	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Ru)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Ru)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|Ru<6>,1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Ru<6>,1|C<4>,1|H<1>,2|C<3>}	122.2260	0.000	1	122.2260	0.000	1	121.9116	1.058	205	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Ru)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Ru)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Ru<9>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Ru<9>,1|C<3>,1|N<3>,2|H<1>}	120.8300	0.000	1	120.6411	0.316	10	121.9116	1.058	205	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Ru)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Ru)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Ru<6>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Ru<6>,2|C<3>,2|H<1>}	120.6201	0.592	9	120.6411	0.316	10	121.9116	1.058	205	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Zn)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Zn)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Zn<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Zn<4>,2|C<3>,2|H<1>}	121.4250	0.000	1	121.3064	0.182	5	121.9116	1.058	205	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Zn)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Zn)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Zn<5>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Zn<5>,2|C<3>,2|H<1>}	121.0743	0.330	3	121.3064	0.182	5	121.9116	1.058	205	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Zn)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Zn)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Zn<6>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Zn<6>,2|C<3>,2|H<1>}	121.8840	0.000	1	121.3064	0.182	5	121.9116	1.058	205	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	120.8010	0.000	1	120.8010	0.000	1	121.9116	1.058	205	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	122.3585	0.343	2	122.3466	0.211	10	121.9116	1.058	205	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	122.1070	0.000	1	122.3466	0.211	10	121.9116	1.058	205	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	122.3774	0.535	7	122.3466	0.211	10	121.9116	1.058	205	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]I)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|I<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]I)(N[5a]N[5a]){2|C<3>,2|H<1>}	122.4290	0.710	6	122.4290	0.504	6	121.9116	1.058	205	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	122.5515	0.252	2	122.0488	0.442	6	121.9116	1.058	205	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	120.9020	0.000	1	122.0488	0.442	6	121.9116	1.058	205	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	122.5120	0.000	1	122.0488	0.442	6	121.9116	1.058	205	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	122.0580	0.000	1	122.0488	0.442	6	121.9116	1.058	205	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	121.7180	0.000	1	122.0488	0.442	6	121.9116	1.058	205	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<3>,2|C<4>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|H<1>,2|C<4>}	121.8660	0.000	1	121.8660	0.000	1	121.9116	1.058	205	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	121.8490	0.000	1	121.9195	0.070	4	121.9116	1.058	205	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	121.9460	0.450	2	121.9195	0.070	4	121.9116	1.058	205	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	121.9370	0.000	1	121.9195	0.070	4	121.9116	1.058	205	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]Cl)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]Cl)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|Cl<1>,1|C<3>,2|H<1>}	123.7010	0.000	1	123.7010	0.000	1	121.9116	1.058	205	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a]C[5a]Ni)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a]C[5a]Ni)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Ni<6>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|Ni<6>,1|C<3>,1|O<1>,2|H<1>}	119.0510	0.000	1	119.0510	0.000	1	119.8983	0.226	11	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a]C[5a]Si)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a]C[5a]Si)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|Si<4>,1|C<3>,1|O<1>,2|H<1>}	119.9728	0.405	8	119.9728	0.164	8	119.8983	0.226	11	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a]Si[5,6]C[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a]Si[5,6]C[5a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Si<5>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|Si<5>,1|C<3>,1|O<1>,2|H<1>}	120.4230	0.000	1	120.0240	0.318	2	119.8983	0.226	11	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a]Si[5,6]C[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a]Si[5,6]C[5a])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,2|N<3>,2|O<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Si<6>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|Si<6>,1|C<3>,1|O<1>,2|H<1>}	119.6250	0.000	1	120.0240	0.318	2	119.8983	0.226	11	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]As[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]As[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]As[5a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|As<2>,1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]As[5a]){1|C<3>,1|C<4>,2|H<1>}	117.6840	0.000	1	117.6840	0.000	1	118.7452	0.506	4	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]C[5a]Fe)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]C[5a]Fe)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Fe<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|Fe<4>,1|C<3>,1|O<1>,2|H<1>}	119.0990	0.087	3	119.0990	0.008	3	118.7452	0.506	4	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:I-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]I)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(I)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]I){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(I){1|H<1>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|H<1>,1|I<1>,2|C<3>}	120.8090	0.000	1	120.8090	0.000	1	120.8090	0.000	1	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[5a]C[6a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[5a]C[6a])(C[6a]N[6a]O){1|C<2>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O){1|N<2>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	121.5643	0.415	4	121.5643	0.172	4	121.3518	0.355	5	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[6a]N[5a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[6a]N[5a])(C[6a]N[6a]O){1|C<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O){1|N<3>,2|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a]){1|C<3>,1|O<1>,2|N<3>}	120.5020	0.000	1	120.5020	0.000	1	121.3518	0.355	5	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]C[5a]Co)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]C[5a]Co)(C[6a]N[6a]O){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|Co<6>,1|C<3>,1|N<2>,1|N<3>,1|O<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|Co<6>,1|H<1>,1|N<3>,2|O<1>}	120.5050	0.000	1	120.5050	0.000	1	121.7721	1.485	7	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]C[5a]Mg)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]C[5a]Mg)(C[6a]N[6a]O){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|Mg<6>,1|C<3>,1|N<2>,1|N<3>,1|O<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|Mg<6>,1|H<1>,1|N<3>,2|O<1>}	120.6090	0.000	1	120.6090	0.000	1	121.7721	1.485	7	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]C[5a]Pt)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]C[5a]Pt)(C[6a]N[6a]O){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|Pt<4>,1|C<3>,1|N<2>,1|N<3>,1|O<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|Pt<4>,1|H<1>,1|N<3>,2|O<1>}	123.1520	0.267	2	123.1520	0.071	2	121.7721	1.485	7	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]C[5a]Zn)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]C[5a]Zn)(C[6a]N[6a]O){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|Zn<4>,1|C<3>,1|N<2>,1|N<3>,1|O<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|Zn<4>,1|H<1>,1|N<3>,2|O<1>}	122.7990	0.000	1	121.6623	1.019	3	121.7721	1.485	7	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]C[5a]Zn)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]C[5a]Zn)(C[6a]N[6a]O){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|Zn<5>,1|C<3>,1|N<2>,1|N<3>,1|O<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|Zn<5>,1|H<1>,1|N<3>,2|O<1>}	121.0940	0.315	2	121.6623	1.019	3	121.7721	1.485	7	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(N[6a]C[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]N[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	118.5743	0.063	4	118.5743	0.004	4	118.5743	0.004	4	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a]B[5x3,5x5,20x6]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](N[5a]B[5x3,5x5,20x6]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|C<6>,3|H<1>,4|B<6>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<6>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|B<6>,1|C<3>,3|H<1>}	121.5100	0.000	1	121.5100	0.000	1	121.5100	0.000	1	120.7231	3.830	2885	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[5])(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[5,6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H){1|H<1>,1|S<4>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[5])(H){7|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[5,6a]H){1|H<1>,1|S<4>,5|C<3>}	120.1520	0.000	1	120.1520	0.000	1	120.1520	0.000	1	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]B[5])(C[6a]C[6a]F)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F){1|B<3>,2|F<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]F)(F){1|F<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]B[5])(C[6a]C[6a]F){2|F<1>,2|O<2>,3|C<3>}	119.3400	0.000	1	119.3400	0.000	1	119.3400	0.000	1	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5,5a]N[5,5a,6]C[5,5a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6]N[5,5a,6]N[6])(C[5a,6a]C[5,5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5,5a]N[5,5a,6]C[5,5a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,1|P<6>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6]N[5,5a,6]N[6])(C[5a,6a]C[5,5a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,1|P<6>,3|C<3>}	120.3805	0.258	2	120.3805	0.067	2	120.3805	0.067	2	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5,5a]N[5,5a,6a]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a,6a]C[6a])(C[5a,6a]C[5,5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5,5a]N[5,5a,6a]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5,5a,6a]C[6a])(C[5a,6a]C[5,5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	120.1600	0.000	1	120.0520	0.023	2	120.0520	0.023	2	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5,5a]N[5,5a,6a]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a,6a]C[6a])(C[5a,6a]C[5,5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5,5a]N[5,5a,6a]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5,5a,6a]C[6a])(C[5a,6a]C[5,5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	119.9440	0.000	1	120.0520	0.023	2	120.0520	0.023	2	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	119.7080	0.000	1	119.9877	0.195	3	120.3316	0.231	11	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|C<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){5|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	119.7580	0.000	1	119.9877	0.195	3	120.3316	0.231	11	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|Br<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	120.4970	0.000	1	119.9877	0.195	3	120.3316	0.231	11	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C[5a])(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C[5a])(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	119.4920	0.000	1	119.4920	0.000	1	120.3316	0.231	11	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|H<1>,5|C<3>}	120.9320	0.000	1	120.6075	0.118	4	120.3316	0.231	11	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	120.8760	0.000	1	120.6075	0.118	4	120.3316	0.231	11	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	120.3110	0.033	2	120.6075	0.118	4	120.3316	0.231	11	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,2|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.6110	0.000	1	120.6110	0.000	1	120.3316	0.231	11	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]Si)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|Si<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]Si)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.5270	0.000	1	120.5270	0.000	1	120.3316	0.231	11	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]Si)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|Si<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]N)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]Si)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.6250	0.000	1	120.6250	0.000	1	120.3316	0.231	11	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5,6,6]C[5,5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5,6,6]C[5,5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	119.5310	0.035	2	119.5310	0.001	2	119.0361	0.721	98	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]B[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]B[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|B<3>,2|C<3>,2|H<1>}	117.5790	0.000	1	117.5790	0.000	1	119.0361	0.721	98	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	119.3690	0.000	1	119.3690	0.000	1	119.0361	0.721	98	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	120.3450	0.000	1	120.3450	0.000	1	119.0361	0.721	98	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<4>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	119.0220	0.000	1	119.2538	0.161	6	119.0361	0.721	98	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<4>,2|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	119.2160	0.803	2	119.2538	0.161	6	119.0361	0.721	98	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	119.5350	0.000	1	119.2538	0.161	6	119.0361	0.721	98	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	119.2670	0.158	2	119.2538	0.161	6	119.0361	0.721	98	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	118.9215	0.056	2	118.9215	0.003	2	119.0361	0.721	98	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	118.2080	0.000	1	118.3600	0.046	2	119.0361	0.721	98	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	118.5120	0.000	1	118.3600	0.046	2	119.0361	0.721	98	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	118.3350	0.000	1	118.3350	0.000	1	119.0361	0.721	98	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.1830	0.000	1	118.1830	0.000	1	119.0361	0.721	98	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,1|S<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	119.9740	0.000	1	119.9740	0.000	1	119.0361	0.721	98	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	119.4850	0.000	1	119.5390	0.194	3	119.0361	0.721	98	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	119.5660	0.619	2	119.5390	0.194	3	119.0361	0.721	98	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]S)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]S){1|C<4>,2|C<3>,2|H<1>}	120.4000	0.000	1	120.4000	0.000	1	119.0361	0.721	98	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	118.1000	0.000	1	118.9780	1.098	19	119.0361	0.721	98	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	119.3025	0.422	2	118.9780	1.098	19	119.0361	0.721	98	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|H<1>,5|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	119.3800	0.000	1	118.9780	1.098	19	119.0361	0.721	98	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	119.0560	0.000	1	118.9780	1.098	19	119.0361	0.721	98	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	118.7490	0.000	2	118.9780	1.098	19	119.0361	0.721	98	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.9520	0.160	2	118.9780	1.098	19	119.0361	0.721	98	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.2950	0.000	1	118.9780	1.098	19	119.0361	0.721	98	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.7240	0.000	1	118.9780	1.098	19	119.0361	0.721	98	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	118.9280	0.000	1	118.9780	1.098	19	119.0361	0.721	98	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	119.6600	0.000	1	118.9780	1.098	19	119.0361	0.721	98	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	120.5380	3.207	2	118.9780	1.098	19	119.0361	0.721	98	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	118.0855	0.254	2	118.9780	1.098	19	119.0361	0.721	98	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	118.5925	0.433	2	118.9780	1.098	19	119.0361	0.721	98	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	119.1510	0.000	1	118.9811	0.714	30	119.0361	0.721	98	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	119.1170	0.000	1	118.9811	0.714	30	119.0361	0.721	98	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	118.8589	1.119	14	118.9811	0.714	30	119.0361	0.721	98	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	119.1975	0.037	2	118.9811	0.714	30	119.0361	0.721	98	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	118.8825	0.025	2	118.9811	0.714	30	119.0361	0.721	98	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	118.9715	0.441	4	118.9811	0.714	30	119.0361	0.721	98	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.2050	0.000	1	118.9811	0.714	30	119.0361	0.721	98	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	119.1780	0.900	5	118.9811	0.714	30	119.0361	0.721	98	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|S<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	118.7160	0.000	1	119.0563	0.243	12	119.0361	0.721	98	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|S<4>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	119.2435	0.078	2	119.0563	0.243	12	119.0361	0.721	98	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	119.3070	0.372	4	119.0563	0.243	12	119.0361	0.721	98	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|H<1>,4|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	119.3780	0.000	1	119.0563	0.243	12	119.0361	0.721	98	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|S<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	118.9390	0.000	1	119.0563	0.243	12	119.0361	0.721	98	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	118.8125	1.006	2	119.0563	0.243	12	119.0361	0.721	98	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	118.3030	0.000	1	119.0563	0.243	12	119.0361	0.721	98	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]Si)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Si<4>,1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]Si)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	120.7930	0.000	2	120.7930	0.000	2	119.0361	0.721	98	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]P[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]P[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	119.4890	0.660	2	119.4890	0.436	2	119.0361	0.721	98	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,3|C<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]C)(H){1|Si<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|Si<4>,2|C<3>,2|H<1>}	118.9440	0.000	1	118.9440	0.000	1	119.0361	0.721	98	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]Cl)(H){1|Si<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|Si<4>,2|C<3>,2|H<1>}	119.5510	0.000	1	119.5510	0.000	1	119.0361	0.721	98	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|H<1>,5|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	118.7910	0.000	1	118.6095	0.067	6	119.0361	0.721	98	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|Si<4>,2|C<3>,2|H<1>}	118.8115	0.100	2	118.6095	0.067	6	119.0361	0.721	98	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|Si<4>,2|C<3>,2|H<1>}	118.4143	0.221	3	118.6095	0.067	6	119.0361	0.721	98	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C[6a])(C[6a]C[6a]H){1|Si<4>,2|H<1>,4|C<3>}	117.3050	0.000	2	117.3050	0.000	2	119.0361	0.721	98	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H){1|Si<4>,2|C<3>,2|H<1>}	119.5660	0.000	1	119.5660	0.000	1	119.0361	0.721	98	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C[6a])	C[5a,6a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C[6a]){2|H<1>,7|C<3>}	119.7420	0.000	1	119.7420	0.000	1	119.7420	0.000	1	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5,6a]C[5,5a]C[5,6a])(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]C[5a,5a]N)(C[6a]C[5,6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5,6a]C[5,5a]C[5,6a])(H){2|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]C[5a,5a]N)(C[6a]C[5,6a]H){1|H<1>,1|S<2>,3|C<3>}	121.7820	0.000	1	121.7820	0.000	1	121.8433	0.003	3	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5,6a]C[5,6a]C[5])(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]C[5a,5a]C[6a])(C[6a]C[5,6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5,6a]C[5,6a]C[5])(H){1|S<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]C[5a,5a]C[6a])(C[6a]C[5,6a]H){1|H<1>,1|S<2>,5|C<3>}	121.8740	0.000	2	121.8740	0.000	2	121.8433	0.003	3	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]C[5a,5a]O)(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[5a])(H){1|O<1>,1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]C[5a,5a]O)(C[6a]C[5a,6a]H){1|H<1>,1|S<2>,3|C<3>}	120.9050	0.000	1	120.9050	0.000	1	120.9050	0.000	1	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,5a]C)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]N[5a])(H){1|C<4>,1|N<3>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,5a]C){1|H<1>,1|S<2>,3|C<3>}	120.3910	0.000	1	120.3910	0.000	1	120.3910	0.000	1	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,5a]N[5a,5a,6]C[5a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]N[5a,5a,6]C[6])(C[5a,6a]C[5a,5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]N[5a,5a,6]C[5a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6]N[5a,5a,6]C[6])(C[5a,6a]C[5a,5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	118.9510	0.000	1	119.3106	0.376	11	119.4005	0.367	13	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,5a]N[5a,5a,6]C[5a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]N[5a,5a,6]C[6])(C[5a,6a]C[5a,5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]N[5a,5a,6]C[5a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6]N[5a,5a,6]C[6])(C[5a,6a]C[5a,5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	119.1467	0.768	6	119.3106	0.376	11	119.4005	0.367	13	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,5a]N[5a,5a,6]C[5a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]N[5a,5a,6]C[6])(C[5a,6a]C[5a,5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]N[5a,5a,6]C[5a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6]N[5a,5a,6]C[6])(C[5a,6a]C[5a,5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	119.6465	0.150	4	119.3106	0.376	11	119.4005	0.367	13	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,5a]N[5a,5a,6]N[5a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]N[5a,5a,6]C[6])(C[5a,6a]C[5a,5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]N[5a,5a,6]N[5a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]N[5a,5a,6]C[6])(C[5a,6a]C[5a,5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	119.7110	0.000	1	119.8950	0.068	2	119.4005	0.367	13	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,5a]N[5a,5a,6]N[5a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]N[5a,5a,6]C[6])(C[5a,6a]C[5a,5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]N[5a,5a,6]N[5a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]N[5a,5a,6]C[6])(C[5a,6a]C[5a,5a]C[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	120.0790	0.000	1	119.8950	0.068	2	119.4005	0.367	13	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]B[5a])(C[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(B[5a]C[5a,5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]B[5a])(C[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|B<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(B[5a]C[5a,5a]C[6a])(C[6a]C[6a]H){1|B<3>,2|H<1>,4|C<3>}	121.1540	0.000	1	121.1540	0.000	1	121.1540	0.000	1	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,5a]N[5a,5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]N[5a,5a,6a]C[6a])(C[5a,6a]C[5a,5a]C[6a])(C[6a]C[6a]O)	C[5a,6a](C[5a,5a]N[5a,5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]O)(H){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a,6a]C[6a])(C[5a,6a]C[5a,5a]C[6a])(C[6a]C[6a]O){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	121.1790	0.000	1	121.1790	0.000	1	121.1790	0.000	1	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]C[5,5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]C[5a,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5,5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]C[5a,5a]C)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	120.1890	0.000	2	120.1890	0.000	2	121.1416	0.986	7	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]C[5,5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5,5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H){2|H<1>,2|N<3>,3|C<3>}	120.6425	0.432	2	120.6425	0.187	2	121.1416	0.986	7	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]N[5a,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]N[5a,5a]C)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	121.8480	0.443	2	122.1093	0.303	3	121.1416	0.986	7	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]N[5a,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]N[5a,5a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	122.6320	0.000	1	122.1093	0.303	3	121.1416	0.986	7	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|F<1>,1|H<1>,1|N<3>,1|S<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]S)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	119.2900	0.000	1	119.2900	0.000	1	118.9666	0.398	44	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	118.5930	0.352	2	118.5930	0.124	2	118.9666	0.398	44	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,2|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	118.2190	0.000	1	118.2190	0.000	1	118.9666	0.398	44	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	119.8430	0.000	1	119.8430	0.000	1	118.9666	0.398	44	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	118.9120	0.000	1	118.5871	0.140	8	118.9666	0.398	44	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	118.9067	0.227	3	118.5871	0.140	8	118.9666	0.398	44	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	118.2577	0.160	3	118.5871	0.140	8	118.9666	0.398	44	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.2920	0.000	1	118.5871	0.140	8	118.9666	0.398	44	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	118.4865	0.148	2	118.6084	0.240	7	118.9666	0.398	44	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	118.7970	0.622	2	118.6084	0.240	7	118.9666	0.398	44	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	118.5640	0.680	3	118.6084	0.240	7	118.9666	0.398	44	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]O)(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,1|S<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]O)(C[6a]C[6a]H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	118.6540	0.000	1	118.6540	0.000	1	118.9666	0.398	44	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.7990	0.000	1	119.2875	0.523	2	118.9666	0.398	44	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,1|S<4>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]S)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	118.7760	0.000	1	119.2875	0.523	2	118.9666	0.398	44	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	119.3950	0.000	1	118.7237	0.724	4	118.9666	0.398	44	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	117.4900	0.000	1	118.7237	0.724	4	118.9666	0.398	44	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	119.0050	0.202	2	118.7237	0.724	4	118.9666	0.398	44	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	118.9417	0.334	3	118.7288	0.258	5	118.9666	0.398	44	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	118.4095	0.684	2	118.7288	0.258	5	118.9666	0.398	44	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]S)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	119.0790	0.000	1	119.0790	0.000	1	118.9666	0.398	44	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]O[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]O[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	119.6460	0.000	1	119.6460	0.000	1	118.9666	0.398	44	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]O[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]O[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	120.4410	0.000	1	120.4410	0.000	1	118.9666	0.398	44	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]O[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]O[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	119.7050	0.000	1	119.7050	0.000	1	118.9666	0.398	44	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	119.5233	0.255	6	119.5233	0.065	6	118.9666	0.398	44	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C[6a])(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	119.6290	0.098	2	119.6290	0.010	2	118.9666	0.398	44	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6,6]C[5a,6,6]C[4x6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6,6]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6,6]C[6a])(N[5a]C[5a,6,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6,6]C[5a,6,6]C[4x6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[5a,6a]C[5a,6,6]C[5a,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6,6]C[6a])(N[5a]C[5a,6,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	118.2480	0.000	1	118.2480	0.000	1	118.2480	0.000	1	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6a]C[6,6a]H)(N[5a]C[5a,6]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6a]C[6,6a]H)(N[5a]C[5a,6]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	119.2470	0.000	1	119.2470	0.000	1	119.2470	0.000	1	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,1|S<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,1|N<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a,6a]H){1|H<1>,1|N<2>,5|C<3>}	122.8030	0.000	1	122.8030	0.000	1	121.4257	1.439	3	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H){1|B<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a,6a]H){1|B<4>,1|H<1>,5|C<3>}	120.7370	0.180	2	120.7370	0.032	2	121.4257	1.439	3	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]Cl)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Cl)(Cl)	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]Cl)	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]Cl){2|Cl<1>,1|B<4>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]Cl){2|Cl<1>,1|B<4>,1|N<2>,2|C<3>}	120.4885	0.421	15	120.4885	0.178	15	120.4885	0.178	15	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]F)	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]F){1|B<4>,1|N<2>,2|C<3>,2|F<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]F)(F){1|F<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]F){1|B<4>,1|N<2>,2|C<3>,2|F<1>}	119.8014	0.598	74	119.8014	0.357	74	119.8014	0.357	74	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]H)(C[6a]C[6a]F)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F){1|B<4>,2|C<3>,2|F<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]F)(F){1|F<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]H)(C[6a]C[6a]F){1|B<4>,2|C<3>,2|F<1>}	119.1870	0.000	1	119.1870	0.000	1	119.8010	0.754	2	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]N)(C[6a]C[6a]F)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F){1|B<4>,1|H<1>,1|N<3>,2|C<3>,2|F<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]F)(F){1|F<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]N)(C[6a]C[6a]F){1|B<4>,2|C<3>,2|F<1>}	120.4150	0.000	1	120.4150	0.000	1	119.8010	0.754	2	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6]N[5,5a,6]N[6])(C[5a,6a]C[5,5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H)	C[5a,6a](C[5,5a]N[5,5a,6]C[5,5a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]N[5,5a,6]N[6])(C[5a,6a]C[5,5a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,1|P<6>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5,5a]N[5,5a,6]C[5,5a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,1|P<6>,2|C<3>}	120.2165	0.894	2	120.2165	0.800	2	120.2165	0.800	2	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6]N[5a,5a,6]C[6])(C[5a,6a]C[5a,5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,5a]N[5a,5a,6]N[5a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]N[5a,5a,6]C[6])(C[5a,6a]C[5a,5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,5a]N[5a,5a,6]N[5a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	120.7400	0.000	1	120.7400	0.000	1	120.6729	0.542	13	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6]N[5a,5a,6]C[6])(C[5a,6a]C[5a,5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]N[5a,5a,6]C[5a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]N[5a,5a,6]C[6])(C[5a,6a]C[5a,5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,5a]N[5a,5a,6]C[5a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	120.5340	0.000	1	120.6922	0.642	11	120.6729	0.542	13	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6]N[5a,5a,6]C[6])(C[5a,6a]C[5a,5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]N[5a,5a,6]C[5a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]N[5a,5a,6]C[6])(C[5a,6a]C[5a,5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,5a]N[5a,5a,6]C[5a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	120.9430	1.044	6	120.6922	0.642	11	120.6729	0.542	13	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6]N[5a,5a,6]C[6])(C[5a,6a]C[5a,5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]N[5a,5a,6]C[5a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]N[5a,5a,6]C[6])(C[5a,6a]C[5a,5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,5a]N[5a,5a,6]C[5a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	120.3555	0.187	4	120.6922	0.642	11	120.6729	0.542	13	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6]N[5a,5a,6]C[6])(C[5a,6a]C[5a,5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]N[5a,5a,6]N[5a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]N[5a,5a,6]C[6])(C[5a,6a]C[5a,5a]C[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,5a]N[5a,5a,6]N[5a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	120.3940	0.000	1	120.3940	0.000	1	120.6729	0.542	13	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6]N[5a,6,6]C[6,6a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]N[5a,6,6]C[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]N[5a,6,6]C[6,6a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6]N[5a,6,6]C[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	120.0320	0.321	3	120.0320	0.103	3	120.7599	0.287	567	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6]N[5a,6,6]C[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]N[5a,6,6]C[6,6a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]N[5a,6,6]C[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6]N[5a,6,6]C[6,6a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	120.4110	0.368	3	120.4110	0.135	3	120.7599	0.287	567	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6]N[5a,6,6]C[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]N[5a,6,6]C[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]N[5a,6,6]C[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6]N[5a,6,6]C[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	120.1375	0.278	6	120.1375	0.078	6	120.7599	0.287	567	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|B<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|B<4>,1|H<1>,1|N<2>,2|C<3>}	120.7265	0.798	12	120.7265	0.636	12	120.7599	0.287	567	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,1|F<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]F)(H){1|F<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,1|F<1>,1|H<1>,1|N<2>,2|C<3>}	121.1146	0.339	18	121.1146	0.115	18	120.7599	0.287	567	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,1|N<2>,2|C<3>,2|H<1>}	120.5756	0.400	393	120.7615	0.275	521	120.7599	0.287	567	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|Ge<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|Ge<4>,1|N<2>,2|C<3>,2|H<1>}	120.2535	0.614	4	120.7615	0.275	521	120.7599	0.287	567	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|Ge<6>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|Ge<6>,1|N<2>,2|C<3>,2|H<1>}	121.2390	0.606	14	120.7615	0.275	521	120.7599	0.287	567	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|In<5>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|In<5>,1|N<2>,2|C<3>,2|H<1>}	121.2080	0.577	7	120.7615	0.275	521	120.7599	0.287	567	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|Si<6>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|Si<6>,1|N<2>,2|C<3>,2|H<1>}	121.3951	0.344	103	120.7615	0.275	521	120.7599	0.287	567	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,1|P<6>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,1|P<6>,2|C<3>}	120.8060	0.969	4	120.8060	0.940	4	120.7599	0.287	567	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6]N[5a,6,6a]C[6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6,6a]C[6a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]N[5a,6,6a]C[6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6,6a]C[6a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	119.8880	0.000	1	119.7755	0.469	4	119.7755	0.469	4	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6]N[5a,6,6a]C[6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6,6a]C[6a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]N[5a,6,6a]C[6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6,6a]C[6a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	119.7465	1.179	2	119.7755	0.469	4	119.7755	0.469	4	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6]N[5a,6,6a]C[6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6,6a]C[6a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]N[5a,6,6a]C[6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6,6a]C[6a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.7210	0.000	1	119.7755	0.469	4	119.7755	0.469	4	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	120.3993	0.173	3	120.3993	0.030	3	120.4515	0.654	38	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|B<4>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[5a])(C[6a]C[6a]H){1|B<4>,1|N<3>,2|H<1>,3|C<3>}	118.9535	1.056	2	120.3022	0.855	9	120.4515	0.654	38	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[5a])(C[6a]C[6a]H){1|B<4>,1|N<3>,2|H<1>,3|C<3>}	120.7183	0.449	6	120.3022	0.855	9	120.4515	0.654	38	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[5a])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	120.5030	0.000	1	120.3022	0.855	9	120.4515	0.654	38	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	119.3528	0.199	4	120.1857	0.618	16	120.4515	0.654	38	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	120.4589	0.269	10	120.1857	0.618	16	120.4515	0.654	38	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|I<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,1|H<1>,1|I<1>,4|C<3>}	120.4855	2.190	2	120.1857	0.618	16	120.4515	0.654	38	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]N[5a,6]N[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]N[5a,6]N[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[5a])(C[6a]C[6a]H){1|B<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	121.0995	0.469	2	121.3410	0.171	4	120.4515	0.654	38	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]N[5a,6]N[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]N[5a,6]N[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[5a])(C[6a]C[6a]H){1|B<4>,1|N<2>,1|S<2>,2|C<3>,2|H<1>}	121.5825	0.243	2	121.3410	0.171	4	120.4515	0.654	38	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]N[5a,6]N[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]N[5a,6]N[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,1|N<2>,2|H<1>,3|C<3>}	120.8175	0.666	6	120.8175	0.443	6	120.4515	0.654	38	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]B[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]B[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,2|O<2>,3|C<3>}	120.5930	0.000	1	120.5930	0.000	1	119.0774	0.295	23	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	119.2680	0.000	1	119.0085	0.195	22	119.0774	0.295	23	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	118.7675	0.557	6	119.0085	0.195	22	119.0774	0.295	23	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	119.0600	0.000	1	119.0085	0.195	22	119.0774	0.295	23	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	118.7615	0.023	2	119.0085	0.195	22	119.0774	0.295	23	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	119.2310	0.000	1	119.0085	0.195	22	119.0774	0.295	23	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	119.0060	0.000	1	119.0085	0.195	22	119.0774	0.295	23	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	119.3440	0.159	6	119.0085	0.195	22	119.0774	0.295	23	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	118.4370	0.099	2	119.0085	0.195	22	119.0774	0.295	23	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	119.2785	0.583	2	119.0085	0.195	22	119.0774	0.295	23	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5,6,6]C[5a,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5,6,6]C[5a,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	119.2200	0.000	1	119.2200	0.000	1	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[3,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[3,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|C<5>,1|H<2>,1|N<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	119.1720	0.000	1	119.1720	0.000	1	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<2>,2|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	118.1910	0.000	1	119.0097	0.579	3	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	119.1430	0.000	1	119.0097	0.579	3	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	119.6950	0.000	1	119.0097	0.579	3	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>,2|N<2>}	119.7950	0.000	1	119.7950	0.000	1	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	119.6080	0.000	1	118.9518	0.496	5	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	118.7360	0.000	1	118.9518	0.496	5	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	117.9960	0.000	1	118.9518	0.496	5	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	119.2095	0.678	2	118.9518	0.496	5	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	119.7650	0.000	1	119.5665	0.079	2	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	119.3680	0.000	1	119.5665	0.079	2	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	118.9175	0.373	2	118.5003	0.348	6	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	119.1590	0.000	1	118.5003	0.348	6	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	118.0027	0.192	3	118.5003	0.348	6	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	118.6330	0.517	8	118.5042	0.308	13	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	117.8110	0.277	2	118.5042	0.308	13	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	119.2510	0.000	1	118.5042	0.308	13	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	118.2130	0.000	1	118.5042	0.308	13	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	118.4040	0.000	1	118.5042	0.308	13	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	118.2520	0.000	1	118.2520	0.000	1	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	118.3160	0.000	1	118.3160	0.000	1	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	118.3100	0.000	1	118.3100	0.000	1	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<3>,4|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	117.8800	0.000	1	118.7033	0.526	3	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	119.1150	0.188	2	118.7033	0.526	3	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	119.6476	0.846	13	119.6821	0.677	14	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.1310	0.000	1	119.6821	0.677	14	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	120.2930	0.000	1	120.2930	0.000	1	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]Cl)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|H<1>,5|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]Cl){1|C<3>,2|C<4>,2|H<1>}	119.9440	0.000	1	119.9440	0.000	1	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	118.6400	0.000	1	119.5147	1.259	3	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.1240	0.000	1	119.5147	1.259	3	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.7800	0.000	1	119.5147	1.259	3	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]C)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]C){1|C<3>,2|C<4>,2|H<1>}	119.1520	0.000	1	119.1520	0.000	1	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	115.9270	0.000	1	118.9559	1.186	11	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.9490	0.000	1	118.9559	1.186	11	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	119.3003	0.645	4	118.9559	1.186	11	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	119.2876	0.321	5	118.9559	1.186	11	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	120.3140	0.000	1	120.3140	0.000	1	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	119.0187	0.385	3	119.2290	0.276	4	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	119.8600	0.000	1	119.2290	0.276	4	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|F<1>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	118.7160	0.000	1	118.7160	0.000	1	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|F<1>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	119.1943	0.140	3	119.1943	0.020	3	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<2>,2|C<3>,2|H<1>}	118.8320	0.000	1	119.1482	0.418	101	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	119.2710	0.000	1	119.1482	0.418	101	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	119.4185	0.687	2	119.1482	0.418	101	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	118.3820	0.000	1	119.1482	0.418	101	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	118.1300	0.000	1	119.1482	0.418	101	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|H<1>,5|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	118.5130	0.000	1	119.1482	0.418	101	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	118.9455	0.465	20	119.1482	0.418	101	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	118.2580	0.921	3	119.1482	0.418	101	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	119.9550	0.000	1	119.1482	0.418	101	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.0250	0.000	1	119.1482	0.418	101	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	119.5910	0.000	1	119.1482	0.418	101	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	118.0160	0.000	1	119.1482	0.418	101	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	119.0300	0.000	1	119.1482	0.418	101	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	119.4364	0.228	5	119.1482	0.418	101	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	119.1580	0.459	4	119.1482	0.418	101	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	119.0930	0.000	1	119.1482	0.418	101	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.1160	0.000	1	119.1482	0.418	101	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.4047	1.247	3	119.1482	0.418	101	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	120.1070	0.000	1	119.1482	0.418	101	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	119.6525	0.988	2	119.1482	0.418	101	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	118.6820	0.000	1	119.1482	0.418	101	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	119.2330	0.000	1	119.1482	0.418	101	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	119.9300	0.291	2	119.1482	0.418	101	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.7063	0.317	3	119.1482	0.418	101	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	117.4800	0.000	1	119.1482	0.418	101	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	118.6225	0.349	4	119.1482	0.418	101	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	119.6470	0.000	1	119.1482	0.418	101	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	119.3540	0.000	1	119.1482	0.418	101	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	120.1338	0.256	6	119.1482	0.418	101	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	119.2272	0.365	4	119.1482	0.418	101	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	119.4985	0.114	2	119.1482	0.418	101	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	119.2470	0.519	17	119.1482	0.418	101	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	118.5420	0.295	3	119.1482	0.418	101	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.5225	0.233	2	119.1482	0.418	101	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	118.6090	0.000	1	119.1482	0.418	101	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C[5])(C[6a]C[6a]H){1|Hf<12>,1|C<3>,2|H<1>,4|C<4>}	119.6360	0.000	1	119.6360	0.000	1	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	114.6050	0.000	1	118.1340	5.600	4	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	119.6520	0.000	1	118.1340	5.600	4	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>,2|N<2>}	119.1395	0.144	2	118.1340	5.600	4	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]2){2|C<4>,2|H<1>,3|C<3>}	119.0970	0.513	2	119.0970	0.264	2	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]C)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	119.1660	0.000	1	119.4048	0.079	11	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]C)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]C){1|C<3>,2|C<4>,2|H<1>}	119.1840	0.086	2	119.4048	0.079	11	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]C)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	119.4899	0.286	8	119.4048	0.079	11	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]F)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|F<1>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]F){1|C<3>,2|C<4>,2|H<1>}	119.6380	0.081	2	119.6380	0.006	2	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	118.9390	0.339	3	118.9257	0.455	235	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	119.0060	0.000	1	118.9257	0.455	235	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	119.1100	0.047	2	118.9257	0.455	235	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|S<1>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	118.8030	0.000	1	118.9257	0.455	235	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	118.4130	0.000	1	118.9257	0.455	235	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	118.2910	0.508	2	118.9257	0.455	235	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	118.9830	0.000	1	118.9257	0.455	235	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	118.8998	0.515	123	118.9257	0.455	235	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	118.2840	0.186	4	118.9257	0.455	235	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	120.8500	0.000	1	118.9257	0.455	235	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	118.7599	0.706	9	118.9257	0.455	235	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	118.3385	0.013	2	118.9257	0.455	235	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	118.7090	0.000	1	118.9257	0.455	235	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	119.2468	0.622	5	118.9257	0.455	235	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	119.1960	0.000	1	118.9257	0.455	235	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	119.1265	0.535	2	118.9257	0.455	235	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	119.0600	0.398	37	118.9257	0.455	235	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	118.5540	0.634	4	118.9257	0.455	235	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	118.9930	0.000	1	118.9257	0.455	235	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.8672	0.551	4	118.9257	0.455	235	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.6080	0.000	1	118.9257	0.455	235	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	118.7229	0.439	15	118.9257	0.455	235	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	118.3954	0.263	5	118.9257	0.455	235	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.6383	1.532	7	118.9257	0.455	235	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	116.6750	0.389	2	118.9257	0.455	235	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]O)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	118.5730	0.175	2	118.5730	0.031	2	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|N<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.0290	0.000	1	119.3925	0.279	27	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|S<4>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	118.8450	0.000	1	119.3925	0.279	27	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|S<4>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	119.0580	0.000	1	119.3925	0.279	27	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|S<4>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	118.6310	0.000	1	119.3925	0.279	27	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|S<4>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	119.9385	0.612	2	119.3925	0.279	27	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<4>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	119.2250	0.000	2	119.3925	0.279	27	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	119.5455	0.226	4	119.3925	0.279	27	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	119.1595	0.636	2	119.3925	0.279	27	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|S<4>,3|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	119.7577	0.226	3	119.3925	0.279	27	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	119.5650	0.033	2	119.3925	0.279	27	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	119.8975	0.397	2	119.3925	0.279	27	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.3960	0.000	1	119.3925	0.279	27	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<1>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.1070	0.000	1	119.3925	0.279	27	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	118.8650	0.000	1	119.3925	0.279	27	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	118.9360	0.000	1	119.3925	0.279	27	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	118.8520	0.523	2	119.3925	0.279	27	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,1|O<2>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	119.5620	0.000	1	119.7473	0.055	3	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.0110	0.000	1	119.7473	0.055	3	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	119.6690	0.000	1	119.7473	0.055	3	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	119.9272	0.274	5	119.7720	0.243	9	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	119.5780	0.676	4	119.7720	0.243	9	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C[4])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C[4])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|N<3>,3|H<1>}	119.7210	0.000	1	119.7210	0.000	1	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|F<1>,1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]F)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	119.0750	0.000	1	119.0750	0.000	1	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	119.7630	0.000	1	120.2210	0.991	4	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	119.0630	0.000	1	120.2210	0.991	4	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	121.0290	0.342	2	120.2210	0.991	4	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]Cu)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cu<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]Cu)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	119.8290	0.000	1	119.8290	0.000	1	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	119.1584	0.261	7	119.3009	0.221	8	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	120.2980	0.000	1	119.3009	0.221	8	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]Pd)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Pd<4>,1|B<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]Pd)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	120.5293	0.267	3	120.5293	0.072	3	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	119.9540	0.000	1	119.9540	0.000	1	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	121.0635	0.522	4	121.0635	0.272	4	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]N[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]N[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|N<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	120.2580	0.000	1	120.2580	0.000	1	119.0976	0.573	499	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:I-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]I)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(I)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]I){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(I){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|I<1>,2|C<4>}	117.4000	0.000	1	117.4000	0.000	1	117.4000	0.000	1	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]O){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]H)(O){1|N<3>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<4>}	120.5730	0.459	4	120.5730	0.211	4	120.5730	0.211	4	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(B[5a]C[5a,5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]B[5a])(C[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(B[5a]C[5a,5a]C[6a])(C[6a]C[6a]H){1|B<3>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]B[5a])(C[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	118.0840	0.000	1	118.0840	0.000	1	118.0840	0.000	1	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(B[5a]N[5a,5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]N[5a,5a]B[5a])(C[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(B[5a]N[5a,5a]C[6a])(C[6a]C[6a]H){1|B<3>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](N[5a,5a]N[5a,5a]B[5a])(C[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	118.5610	0.000	1	118.5610	0.000	1	118.5610	0.000	1	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5,5a]C[5,5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5,5a]C[5,5a]2)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	119.5340	0.000	2	119.5340	0.000	2	118.8264	0.687	5	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5,5a]C[5,5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5,5a]C[5,5a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	117.8780	0.000	1	118.3547	0.540	3	118.8264	0.687	5	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5,5a]C[5,5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5,5a]C[5,5a]2)(C[6a]C[6a]H){1|C<4>,1|P<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	118.5930	0.860	2	118.3547	0.540	3	118.8264	0.687	5	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a,5a]C[5a,5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]C[5a,5a]O)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a,5a]C[5a,5a]2)(C[6a]C[6a]H){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]C[5a,5a]O)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	120.3110	0.718	4	120.0190	0.514	6	120.0190	0.514	6	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a,5a]C[5a,5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]C[5a,5a]O)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a,5a]C[5a,5a]2)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,2|S<2>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]C[5a,5a]O)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	119.4350	0.000	2	120.0190	0.514	6	120.0190	0.514	6	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a,6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6,6a]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a,6]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	119.3690	0.071	2	119.3690	0.005	2	119.3596	0.102	5	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a,6]O)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6,6a]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a,6]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	119.2310	0.000	1	119.1050	0.032	2	119.3596	0.102	5	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a,6]O)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6,6a]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a,6]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	118.9790	0.000	1	119.1050	0.032	2	119.3596	0.102	5	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6,6a]C[6,6a]N[6])(N[5a]C[5a,6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6,6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6,6a]C[6,6a]N[6])(N[5a]C[5a,6]H){2|C<4>,2|H<1>,3|C<3>}	119.8500	0.000	1	119.8500	0.000	1	119.3596	0.102	5	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6a,6a]C[6a,6a]2)(N[5a]C[5a,6]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6a,6a]C[6a,6a]2)(N[5a]C[5a,6]H){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	118.6240	0.000	1	118.6240	0.000	1	118.6240	0.000	1	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a,6]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a,6]2)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	118.8180	0.000	1	118.8180	0.000	1	118.8180	0.000	1	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a,6])(C[5a,6]N[5a,6,6]N[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a,6])(C[5a,6]N[5a,6,6]N[6])(C[6a]C[6a]H){1|B<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]H)(H){1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a]){1|B<4>,1|N<2>,2|H<1>,4|C<3>}	120.7528	0.395	6	120.7528	0.156	6	120.7528	0.156	6	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H){1|C<4>,2|H<1>,4|C<3>}	119.1130	0.000	1	119.1130	0.000	1	119.2500	0.043	3	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H){1|C<4>,1|H<1>,4|C<3>}	119.3185	0.241	2	119.3185	0.058	2	119.2500	0.043	3	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[5,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(H){7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[5,6a]H){1|H<1>,6|C<3>}	119.3200	0.000	1	119.3200	0.000	1	121.2298	1.932	5	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[5,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H){1|C<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(H){1|C<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[5,6a]H){1|H<1>,4|C<3>}	120.5190	0.000	1	120.5190	0.000	1	121.2298	1.932	5	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6a]C[5,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(H){7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6a]C[5,6a]H){1|H<1>,1|O<2>,5|C<3>}	122.8360	0.000	1	122.8360	0.000	1	121.2298	1.932	5	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[5,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(H){7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[5,6a]H){1|H<1>,6|C<3>}	121.7370	0.694	2	121.7370	0.482	2	121.2298	1.932	5	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[5,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(H){1|Se<2>,1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[5,6a]H){1|Se<2>,1|H<1>,3|C<3>}	119.7135	0.170	2	119.7135	0.029	2	119.8953	0.114	3	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)	C[6a](C[5,6a]N[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]N[5,6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[5,6a]N[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(H){1|C<4>,1|O<1>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]N[5,6a]O){1|C<4>,1|H<1>,3|C<3>}	120.2590	0.000	1	120.2590	0.000	1	119.8953	0.114	3	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[5,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[5,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[5,6a]2)(H){1|C<4>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[5,6a]H){1|C<4>,1|H<1>,5|C<3>}	118.3600	0.000	1	118.3600	0.000	1	118.3600	0.000	1	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]2)2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)2(H){2|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]H){1|H<1>,1|N<3>,3|C<3>}	118.9040	0.000	1	118.9040	0.000	1	120.7146	0.745	14	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]2)2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)2(H){2|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H){1|H<1>,1|N<3>,5|C<3>}	120.8215	0.254	2	120.8215	0.064	2	120.7146	0.745	14	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]2)2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)2(H){1|N<3>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]H){1|H<1>,1|O<2>,3|C<3>}	120.0920	0.000	1	120.0920	0.000	1	120.7146	0.745	14	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]2)2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]S)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){1|S<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)2(H){1|N<3>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]S){1|H<1>,1|O<2>,3|C<3>}	120.6730	0.000	1	120.4915	0.066	2	120.7146	0.745	14	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]2)2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]S)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){1|S<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)2(H){1|N<3>,1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]S){1|H<1>,1|S<2>,3|C<3>}	120.3100	0.000	1	120.4915	0.066	2	120.7146	0.745	14	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]S)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){1|S<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|N<3>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]S){1|H<1>,1|S<2>,3|C<3>}	120.0660	0.000	1	120.0660	0.000	1	120.7146	0.745	14	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(H){1|C<4>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]C){1|H<1>,4|C<3>}	121.0330	0.156	3	121.0330	0.024	3	120.7146	0.745	14	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]H){1|H<1>,4|C<3>}	120.4800	0.153	2	120.4800	0.023	2	120.7146	0.745	14	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(H){1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]C){1|H<1>,4|C<3>}	122.1285	0.926	2	122.1285	0.857	2	120.7146	0.745	14	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(H){1|N<3>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,6|C<3>}	120.7223	0.423	3	120.7223	0.179	3	120.6706	0.095	5	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5a,6a]C[5a,6a]2)(H){1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,6|C<3>}	120.5930	0.033	2	120.5930	0.001	2	120.6706	0.095	5	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:I-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]I)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2)(I)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[5a,6a]I)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]I){1|F<1>,1|I<1>,1|O<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2)(I){1|O<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[5a,6a]I){1|I<1>,4|C<3>}	118.3220	0.000	1	118.3220	0.000	1	118.3220	0.000	1	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(Br)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(Br){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]O){1|Br<1>,1|H<1>,3|C<3>}	118.9020	0.000	1	118.9020	0.000	1	118.9020	0.000	1	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(Cl)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(Cl){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	116.7510	0.000	1	116.7510	0.000	1	116.9820	0.107	2	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Cl)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(Cl)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Cl){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(Cl){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	117.2130	0.000	1	117.2130	0.000	1	116.9820	0.107	2	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]F)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F){1|I<1>,1|O<1>,2|F<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]F)(F){1|F<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]F){2|F<1>,3|C<3>}	116.5470	0.000	1	116.5470	0.000	1	116.5470	0.000	1	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5,5a,6a]C[6a])(C[5a,6a]C[5,5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]N[5,5a,6a]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a,6a]C[6a])(C[5a,6a]C[5,5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5,5a]N[5,5a,6a]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	120.6060	0.000	1	120.2075	0.318	2	120.2075	0.318	2	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5,5a,6a]C[6a])(C[5a,6a]C[5,5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]N[5,5a,6a]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a,6a]C[6a])(C[5a,6a]C[5,5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5,5a]N[5,5a,6a]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	119.8090	0.000	1	120.2075	0.318	2	120.2075	0.318	2	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6,6a]C[6a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]N[5a,6,6a]C[6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6,6a]C[6a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6]N[5a,6,6a]C[6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	120.7900	0.000	1	121.4657	0.395	4	121.4657	0.395	4	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6,6a]C[6a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]N[5a,6,6a]C[6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6,6a]C[6a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6]N[5a,6,6a]C[6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	121.0790	0.000	1	121.4657	0.395	4	121.4657	0.395	4	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6,6a]C[6a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]N[5a,6,6a]C[6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6,6a]C[6a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6]N[5a,6,6a]C[6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	121.9970	0.120	2	121.4657	0.395	4	121.4657	0.395	4	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5,6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5,6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5,6a]C)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(N[5a]C[5a,6a]H){2|H<1>,3|C<3>,3|C<4>}	120.5150	0.000	1	120.5150	0.000	1	120.5150	0.000	1	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.4202	0.403	4	119.4202	0.162	4	122.9695	35.059	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	118.8440	0.000	1	118.8440	0.000	1	122.9695	35.059	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	118.5370	0.229	6	118.5370	0.053	6	122.9695	35.059	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	118.2630	0.000	1	118.0517	0.205	4	122.9695	35.059	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	117.9813	0.528	3	118.0517	0.205	4	122.9695	35.059	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	120.8160	0.000	1	120.8160	0.000	1	122.9695	35.059	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	120.8780	0.000	1	121.2542	0.288	4	122.9695	35.059	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	121.3797	0.581	3	121.2542	0.288	4	122.9695	35.059	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	119.3340	0.000	1	120.1891	0.097	25	122.9695	35.059	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	119.7960	0.000	1	120.1891	0.097	25	122.9695	35.059	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	120.2433	0.250	23	120.1891	0.097	25	122.9695	35.059	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H){1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	128.5060	0.000	1	128.5060	0.000	1	122.9695	35.059	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	133.3780	0.000	1	133.2990	0.012	2	122.9695	35.059	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	133.2200	0.000	1	133.2990	0.012	2	122.9695	35.059	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|B<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|B<3>,3|C<3>,3|H<1>}	132.3190	0.000	1	133.6123	1.282	6	122.9695	35.059	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Pt<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Pt<4>,3|C<3>,3|H<1>}	135.1740	0.000	1	133.6123	1.282	6	122.9695	35.059	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	133.9710	0.000	1	133.6123	1.282	6	122.9695	35.059	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|Br<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	133.9930	0.000	1	133.6123	1.282	6	122.9695	35.059	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	133.1085	1.231	2	133.6123	1.282	6	122.9695	35.059	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>}	136.5010	0.000	1	135.8383	1.138	3	122.9695	35.059	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	135.5070	1.271	2	135.8383	1.138	3	122.9695	35.059	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	131.5300	0.000	1	131.5300	0.000	1	122.9695	35.059	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[6])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[6])(H){1|H<1>,1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	128.8610	0.000	1	128.8610	0.000	1	122.9695	35.059	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a,6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C){1|C<4>,1|H<1>,5|C<3>}	122.7512	0.135	4	122.7512	0.018	4	120.9941	1.771	29	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a,6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]H){1|H<1>,1|N<2>,5|C<3>}	121.3620	0.000	1	120.8910	1.064	23	120.9941	1.771	29	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a,6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]H){2|H<1>,5|C<3>}	120.8695	1.051	22	120.8910	1.064	23	120.9941	1.771	29	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[5a,6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[5a])(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[5a,6a]C)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[5a])(N[5a]C[5a,6a]C){1|H<1>,6|C<3>}	117.5060	0.000	1	117.5060	0.000	1	120.9941	1.771	29	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[5a,6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[5a])(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[5a,6a]C)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[5a])(N[5a]C[5a,6a]C){1|H<1>,5|C<3>}	119.8270	0.000	1	119.8270	0.000	1	120.9941	1.771	29	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.8610	0.000	1	119.8610	0.000	1	119.8985	0.643	36	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.2840	0.301	2	119.2840	0.091	2	119.8985	0.643	36	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	119.9460	0.000	1	120.5797	0.982	4	119.8985	0.643	36	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.5240	0.000	1	120.5797	0.982	4	119.8985	0.643	36	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.4245	0.059	2	120.5797	0.982	4	119.8985	0.643	36	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	121.3100	0.000	1	121.3100	0.000	1	119.8985	0.643	36	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.7830	0.000	2	119.6797	0.042	4	119.8985	0.643	36	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.3740	0.000	1	119.6797	0.042	4	119.8985	0.643	36	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.7790	0.000	1	119.6797	0.042	4	119.8985	0.643	36	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.7450	0.000	1	119.5432	0.325	11	119.8985	0.643	36	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.3523	0.269	9	119.5432	0.325	11	119.8985	0.643	36	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.0590	0.000	1	119.5432	0.325	11	119.8985	0.643	36	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|Br<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>,2|N<2>}	121.1700	0.000	1	120.8673	0.108	3	119.8985	0.643	36	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	120.7160	0.279	2	120.8673	0.108	3	119.8985	0.643	36	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	120.8370	0.000	1	120.8370	0.000	1	119.8985	0.643	36	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.6840	0.834	9	119.6840	0.696	9	119.8985	0.643	36	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6,6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6,6a]C)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a,6a]C){1|O<2>,2|H<1>,4|C<3>}	120.0680	0.000	1	120.0680	0.000	1	119.4374	0.425	14	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6,6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6,6a]C)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a,6a]H){1|O<2>,2|H<1>,4|C<3>}	118.9432	0.294	5	119.2269	0.391	7	119.4374	0.425	14	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6,6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6,6a]C)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a,6a]H){2|H<1>,3|C<3>,3|C<4>}	119.3910	0.000	1	119.2269	0.391	7	119.4374	0.425	14	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6,6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6,6a]C)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a,6a]H){1|H<1>,1|O<1>,5|C<3>}	120.4810	0.000	1	119.2269	0.391	7	119.4374	0.425	14	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6,6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a,6a]H){1|O<2>,2|H<1>,4|C<3>}	118.8205	0.317	2	118.8205	0.101	2	119.4374	0.425	14	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6,6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(N[5a]C[5a,6a]H){1|C<4>,1|H<1>,4|C<3>}	119.9565	0.422	4	119.9565	0.178	4	119.4374	0.425	14	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(N[5a]C[5a,6a]S)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(N[5a]C[5a,6a]S){1|H<1>,6|C<3>}	120.4075	0.218	2	120.4075	0.048	2	119.5979	1.775	20	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C){2|H<1>,5|C<3>}	120.7080	0.045	2	120.7080	0.002	2	119.5979	1.775	20	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H){2|H<1>,5|C<3>}	119.9807	0.222	3	118.6040	0.852	11	119.5979	1.775	20	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H){2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	118.0877	0.294	8	118.6040	0.852	11	119.5979	1.775	20	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]S)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]S){2|H<1>,5|C<3>}	120.8660	0.000	1	120.8660	0.000	1	119.5979	1.775	20	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]O[6a])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]O[6a])(N[5a]C[5a,6a]H){1|H<1>,5|C<3>}	120.5860	0.000	1	120.5860	0.000	1	119.5979	1.775	20	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]N)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]N)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C){2|H<1>,5|C<3>}	121.4730	0.000	1	121.4730	0.000	1	119.5979	1.775	20	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]O)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[5a]C[5a,6a]H){1|H<1>,5|C<3>}	121.0795	0.153	2	121.0795	0.024	2	119.5979	1.775	20	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a]C[6a])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a]C[6a])(N[5a]C[5a,6a]H){1|S<2>,2|H<1>,4|C<3>}	120.0733	0.348	4	119.8838	0.270	5	119.7738	0.855	36	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a]C[6a])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a]C[6a])(N[5a]C[5a,6a]H){1|H<1>,1|O<2>,5|C<3>}	119.1260	0.000	1	119.8838	0.270	5	119.7738	0.855	36	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a]C[6a])(N[5a]C[5a,6a]Pd)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Pd<4>,1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a]C[6a])(N[5a]C[5a,6a]Pd){1|N<3>,2|H<1>,4|C<3>}	120.7772	0.577	4	120.7772	0.333	4	119.7738	0.855	36	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[5])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[5])(N[5a]C[5a,6a]H){1|N<2>,2|H<1>,4|C<3>}	119.9095	0.297	6	119.5760	0.330	10	119.7738	0.855	36	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[5])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[5])(N[5a]C[5a,6a]H){1|Se<2>,2|H<1>,4|C<3>}	119.0757	0.535	4	119.5760	0.330	10	119.7738	0.855	36	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[5])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[5])(N[5a]C[5a,6a]H){2|H<1>,5|C<3>}	120.3220	0.240	3	120.3220	0.058	3	119.7738	0.855	36	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[5a])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[5a])(N[5a]C[5a,6a]H){1|N<2>,2|H<1>,4|C<3>}	120.7957	0.138	4	120.7957	0.019	4	119.7738	0.855	36	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[5a])(N[5a]C[5a,6a]Ni)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Ni<4>,1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[5a])(N[5a]C[5a,6a]Ni){2|H<1>,5|C<3>}	119.9960	0.000	1	119.9960	0.000	1	119.7738	0.855	36	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]P[5])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|P<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]P[5])(N[5a]C[5a,6a]H){2|H<1>,2|O<2>,3|C<3>}	119.6015	0.042	2	119.6015	0.002	2	119.7738	0.855	36	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[5])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[5])(N[5a]C[5a,6a]H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	120.4300	0.000	1	120.4300	0.000	1	119.7738	0.855	36	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]C[5])(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]C)(H){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]C[5])(N[5a]C[5a,6a]C){1|C<4>,2|H<1>,4|C<3>}	119.1530	0.000	1	119.1530	0.000	1	119.7738	0.855	36	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]C[5])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]C)(H){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]C[5])(N[5a]C[5a,6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	117.5300	0.000	1	117.5300	0.000	1	119.7738	0.855	36	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a]N[6a])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]H)(H){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a]N[6a])(N[5a]C[5a,6a]H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	118.4890	0.228	2	118.4890	0.052	2	119.7738	0.855	36	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]H)(H){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a,6a]H){1|H<1>,5|C<3>}	118.0650	0.021	2	118.0650	0.000	2	119.7738	0.855	36	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a,6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a,6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	117.5885	0.361	2	117.5885	0.131	2	119.2886	0.737	15	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a]C[6a])(H){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	119.2710	0.000	1	119.2710	0.000	1	119.2886	0.737	15	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H){1|N<3>,2|C<2>,2|H<1>,3|C<3>}	120.0010	0.000	1	119.9725	0.221	4	119.2886	0.737	15	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	119.6330	0.088	2	119.9725	0.221	4	119.2886	0.737	15	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	120.6230	0.000	1	119.9725	0.221	4	119.2886	0.737	15	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	118.8430	0.000	1	119.5140	0.403	3	119.2886	0.737	15	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	119.5940	0.000	1	119.5140	0.403	3	119.2886	0.737	15	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,2|O<2>,3|C<3>}	120.1050	0.000	1	119.5140	0.403	3	119.2886	0.737	15	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]C[6])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	119.6670	0.412	2	119.2473	0.292	4	119.2886	0.737	15	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	118.8040	0.000	1	119.2473	0.292	4	119.2886	0.737	15	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	118.8510	0.000	1	119.2473	0.292	4	119.2886	0.737	15	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]S[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]S[6])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	119.4600	0.000	1	119.4600	0.000	1	119.2886	0.737	15	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a,6a]H)(H){2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C){1|H<1>,5|C<3>}	119.8020	0.000	1	119.8020	0.000	1	119.8020	0.000	1	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.4566	0.536	5	119.3309	0.506	11	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.3884	0.863	5	119.3309	0.506	11	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.4150	0.000	1	119.3309	0.506	11	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	118.1765	0.132	2	119.0232	1.126	4	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	119.8700	0.701	2	119.0232	1.126	4	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.5820	0.000	1	119.3197	0.058	3	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.1885	0.112	2	119.3197	0.058	3	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.5830	0.000	1	119.5830	0.000	1	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Pt)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Pt<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Pt)(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.2333	0.906	3	121.2333	0.821	3	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.7050	0.000	1	116.7053	0.695	9	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	116.4554	0.389	8	116.7053	0.695	9	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	116.6980	0.000	1	118.1217	1.486	4	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.1225	0.305	2	118.1217	1.486	4	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	117.5440	0.000	1	118.1217	1.486	4	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.2920	0.000	1	117.4070	0.444	4	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	116.8945	0.050	2	117.4070	0.444	4	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	117.5470	0.000	1	117.4070	0.444	4	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	117.1275	0.323	2	117.1275	0.104	2	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	116.6060	0.000	1	116.6060	0.000	1	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	118.2010	0.000	1	118.1178	0.722	12	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.3910	0.049	2	118.1178	0.722	12	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	117.6972	0.625	8	118.1178	0.722	12	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.8520	0.000	1	118.1178	0.722	12	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	118.2060	0.000	1	118.2060	0.000	1	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.7458	0.201	12	118.3877	0.293	19	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	117.8730	0.171	2	118.3877	0.293	19	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	117.7344	0.384	5	118.3877	0.293	19	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.2520	0.468	2	118.2520	0.219	2	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5,5]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5,5]C[6a])(H){1|H<1>,1|N<3>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.4137	0.189	3	119.4137	0.036	3	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a]C[6a])(H){1|H<1>,1|N<3>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.6082	0.610	4	119.7041	0.142	11	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a]C[6a])(H){1|H<1>,2|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.8570	0.000	1	119.7041	0.142	11	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a]C[6a])(H){1|N<2>,1|N<3>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	119.7425	0.217	6	119.7041	0.142	11	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a]C[6a])(H){1|H<1>,1|N<2>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.5300	0.000	1	119.5629	0.084	9	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a]C[6a])(H){1|H<1>,1|N<3>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.5576	0.333	7	119.5629	0.084	9	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a]C[6a])(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.6330	0.000	1	119.5629	0.084	9	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	121.0840	0.400	2	120.1317	3.974	6	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){1|H<1>,1|O<2>,5|C<3>}	119.6555	2.380	4	120.1317	3.974	6	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.7780	0.585	3	119.2568	0.374	19	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.4508	0.251	12	119.2568	0.374	19	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	118.2840	0.313	4	119.2568	0.374	19	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.8405	0.403	10	119.8405	0.163	10	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Fe)(C[6a]C[6a]C[5])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Fe<5>,1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Fe)(C[6a]C[6a]C[5]){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	121.4027	0.693	4	121.4027	0.480	4	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.8061	0.284	39	119.8061	0.081	39	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.6130	0.000	1	118.6130	0.000	1	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]B[5])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|B<3>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]B[5])(H){1|H<1>,1|N<3>,2|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.0900	0.000	1	119.0900	0.000	1	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]B[5])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|B<3>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]B[5])(H){1|H<1>,1|N<3>,2|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.0895	0.108	2	119.0895	0.012	2	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]Br)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|Br<1>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]Br){2|H<1>,3|C<3>}	121.2463	1.541	3	121.2463	2.376	3	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.6130	0.000	1	119.9401	0.376	58	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H){1|Br<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	120.0163	0.356	3	119.9401	0.376	58	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.9418	0.508	44	119.9401	0.376	58	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	119.1740	0.000	1	119.9401	0.376	58	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.4730	0.211	2	119.9401	0.376	58	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.1864	1.189	7	119.9401	0.376	58	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.9287	0.582	15	119.9287	0.338	15	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	119.5590	0.000	1	119.0458	2.123	6	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	116.7260	0.000	1	119.0458	2.123	6	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.6760	1.373	3	119.0458	2.123	6	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	118.9620	0.000	1	119.0458	2.123	6	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.7675	0.222	4	119.7675	0.049	4	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,1|S<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.0820	0.000	1	119.5672	0.287	5	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.6885	0.534	4	119.5672	0.287	5	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){2|H<1>,3|C<3>}	121.1693	0.112	3	121.1493	0.113	7	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){2|H<1>,3|C<3>}	120.8930	0.373	2	121.1493	0.113	7	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){2|H<1>,3|C<3>}	121.0010	0.000	1	121.1493	0.113	7	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){2|H<1>,3|C<3>}	121.7500	0.000	1	121.1493	0.113	7	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.6266	0.384	16	119.5964	0.346	108	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.6329	0.543	59	119.5964	0.346	108	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	118.8420	0.294	2	119.5964	0.346	108	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	119.2020	0.000	1	119.5964	0.346	108	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|Ru<6>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|Ru<6>,1|H<1>,3|C<3>}	118.7770	0.000	1	119.5964	0.346	108	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.4620	0.205	4	119.5964	0.346	108	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.4115	0.462	2	119.5964	0.346	108	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.7268	0.738	23	119.5964	0.346	108	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]N)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]N){1|H<1>,4|C<3>}	120.8740	0.000	1	120.8740	0.000	1	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	119.3890	0.354	3	119.3890	0.126	3	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,5|C<3>}	120.4966	0.202	7	120.4966	0.041	7	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.4020	0.658	2	119.4395	0.542	58	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.3824	0.734	52	119.4395	0.542	58	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	120.2007	0.402	4	119.4395	0.542	58	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Cu)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cu<5>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Cu)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.4885	0.025	2	120.4885	0.001	2	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Fe)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Fe<4>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Fe)(C[6a]C[6a]C){2|H<1>,3|C<3>}	121.4505	0.815	15	121.4505	0.664	15	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Ga)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Ga<3>,1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Ga)(C[6a]C[6a]2){2|H<1>,5|C<3>}	119.9180	0.345	2	119.9180	0.119	2	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	120.3565	0.131	2	120.1610	0.108	5	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	120.0307	0.380	3	120.1610	0.108	5	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){2|H<1>,3|C<3>}	119.2952	0.968	24	119.4390	1.031	35	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){2|H<1>,3|C<3>}	119.0750	0.914	4	119.4390	1.031	35	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){1|H<1>,1|O<2>,3|C<3>}	117.9440	0.000	1	119.4390	1.031	35	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){2|H<1>,3|C<3>}	120.6450	0.286	5	119.4390	1.031	35	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){2|H<1>,3|C<3>}	119.8110	0.000	1	119.4390	1.031	35	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.3728	0.460	5	119.3557	0.672	60	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.8560	0.000	1	119.3557	0.672	60	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.5319	0.150	10	119.3557	0.672	60	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	118.4050	0.164	2	119.3557	0.672	60	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.3805	0.974	38	119.3557	0.672	60	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	119.0080	0.442	4	119.3557	0.672	60	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]O){1|H<1>,4|C<3>}	120.2980	0.000	1	119.7113	0.295	3	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	119.2260	0.000	1	119.7113	0.295	3	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	119.6100	0.000	1	119.7113	0.295	3	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Li)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Li<3>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Li)(C[6a]C[6a]C){2|H<1>,3|C<3>}	121.2400	0.082	2	121.2400	0.007	2	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	119.8630	0.000	1	119.8630	0.000	1	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	118.3780	0.000	1	118.3780	0.000	1	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Ni)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Ni<4>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Ni)(C[6a]C[6a]C){2|H<1>,3|C<3>}	121.8524	0.700	5	121.8524	0.489	5	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Ni)(C[6a]C[6a]N[5])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Ni<4>,1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Ni)(C[6a]C[6a]N[5]){2|H<1>,5|C<3>}	119.6950	0.000	1	119.6950	0.000	1	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]P)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|P<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]P)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.5900	0.023	2	120.5900	0.001	2	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Pd)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Pd<4>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Pd)(C[6a]C[6a]C){2|H<1>,3|C<3>}	121.9405	0.006	2	121.9405	0.000	2	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Pt)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Pt<4>,1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Pt)(C[6a]C[6a]C){2|H<1>,3|C<3>}	118.6472	0.575	4	118.6472	0.330	4	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|S<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.2060	0.000	1	119.6507	0.442	3	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.4150	0.000	1	119.6507	0.442	3	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|H<1>,4|C<3>}	119.3310	0.000	1	119.6507	0.442	3	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,1|S<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]O){2|H<1>,3|C<3>}	120.5250	0.000	1	120.5250	0.000	1	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Si)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Si<4>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Si)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.6515	0.265	2	120.6515	0.070	2	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Ti)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Ti<6>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Ti)(C[6a]C[6a]C){2|H<1>,3|C<3>}	122.9775	0.521	4	122.9775	0.272	4	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Zn)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Zn<2>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Zn)(C[6a]C[6a]C){2|H<1>,3|C<3>}	121.8519	0.350	7	121.8519	0.122	7	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C[5])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C[5])(H){1|H<1>,1|N<3>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.5000	0.600	2	119.5000	0.360	2	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C[6])(H){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.7644	0.473	5	119.7196	0.112	10	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C[6])(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.6748	0.154	5	119.7196	0.112	10	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.2010	0.152	3	120.2010	0.023	3	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.7371	0.408	8	119.7371	0.166	8	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.5980	0.576	3	119.5980	0.331	3	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]N)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]N){2|H<1>,3|C<3>}	119.9815	0.610	4	119.9815	0.372	4	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|F<1>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.1180	0.000	1	120.1180	0.000	1	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]B)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|B<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]B)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.7870	0.258	3	120.6996	0.049	5	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]B)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]B)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.5685	0.062	2	120.6996	0.049	5	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|I<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){1|H<1>,1|I<1>,5|C<3>}	119.4640	0.000	1	119.4640	0.000	1	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]B)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|B<3>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]B){1|H<1>,4|C<3>}	119.4520	0.000	1	119.4520	0.000	1	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.6630	0.000	1	119.3435	0.433	463	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.4180	0.000	1	119.3435	0.433	463	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.0705	0.197	4	119.3435	0.433	463	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	119.7040	0.000	1	119.3435	0.433	463	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	118.9950	0.351	4	119.3435	0.433	463	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|N<3>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|S<4>,2|C<3>}	118.9130	0.000	1	119.3435	0.433	463	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	119.3525	0.156	2	119.3435	0.433	463	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	119.3530	0.000	1	119.3435	0.433	463	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.3640	0.000	1	119.3435	0.433	463	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.9649	0.394	7	119.3435	0.433	463	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.6725	0.978	18	119.3435	0.433	463	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|Br<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	119.1470	0.198	4	119.3435	0.433	463	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|C<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	119.5730	0.000	1	119.3435	0.433	463	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	119.1680	0.000	1	119.3435	0.433	463	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.3305	0.574	299	119.3435	0.433	463	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	119.1800	0.000	1	119.3435	0.433	463	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	118.9365	0.210	6	119.3435	0.433	463	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|Si<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|Si<4>,1|H<1>,3|C<3>}	118.8240	0.404	2	119.3435	0.433	463	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	119.2535	0.030	2	119.3435	0.433	463	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	119.1900	0.000	1	119.3435	0.433	463	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.6133	0.582	3	119.3435	0.433	463	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	118.8910	0.000	1	119.3435	0.433	463	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Si<4>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	117.6855	0.272	2	119.3435	0.433	463	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.4368	0.458	13	119.3435	0.433	463	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.7970	0.000	1	119.3435	0.433	463	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.7665	0.617	84	119.3435	0.433	463	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	120.5470	0.000	1	119.3435	0.433	463	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	120.6140	0.115	2	120.6911	0.251	8	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5])(C[6a]C[6a]H){1|Zr<12>,2|C<4>,2|H<1>,3|C<3>}	120.3805	0.911	2	120.6911	0.251	8	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5])(C[6a]C[6a]H){1|Zr<9>,2|C<4>,2|H<1>,3|C<3>}	120.8850	0.432	4	120.6911	0.251	8	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	119.3232	0.665	6	119.2310	0.355	8	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	118.9545	0.260	2	119.2310	0.355	8	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	119.7010	0.054	2	119.1528	1.577	50	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){1|C<2>,1|N<2>,2|H<1>,3|C<3>}	119.7800	0.249	2	119.1528	1.577	50	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	119.2373	0.319	3	119.1528	1.577	50	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	120.0540	0.214	2	119.1528	1.577	50	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	120.5755	0.071	2	119.1528	1.577	50	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	119.3653	0.783	15	119.1528	1.577	50	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	118.7178	1.561	24	119.1528	1.577	50	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]Pd)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Pd<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]Pd){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	119.9305	0.818	2	119.0899	0.799	8	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]Pd)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Pd<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]Pd){1|N<3>,2|H<1>,4|C<3>}	118.5095	1.002	2	119.0899	0.799	8	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]Pd)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Pd<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]Pd){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	118.9597	0.767	4	119.0899	0.799	8	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]Pt)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Pt<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]Pt){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	119.1476	0.450	5	119.1476	0.203	5	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,6|C<3>}	119.7000	0.558	5	119.7547	0.218	7	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,2|N<2>,5|C<3>}	119.9600	0.000	1	119.7547	0.218	7	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,2|N<2>,5|C<3>}	119.8230	0.000	1	119.7547	0.218	7	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,2|N<2>,3|C<3>}	118.2480	0.000	1	119.2524	0.407	751	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	119.4400	0.000	1	119.2524	0.407	751	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,2|N<2>,3|C<3>}	119.4100	0.475	2	119.2524	0.407	751	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|Br<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,5|C<3>}	119.0610	0.000	1	119.2524	0.407	751	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|C<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<2>,1|H<1>,5|C<3>}	118.9120	0.000	1	119.2524	0.407	751	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	118.7562	0.572	4	119.2524	0.407	751	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,2|N<2>,3|C<3>}	119.9321	0.704	66	119.2524	0.407	751	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.1899	0.593	674	119.2524	0.407	751	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	119.5170	0.000	1	119.2524	0.407	751	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]S)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]S){2|H<1>,2|N<2>,3|C<3>}	120.7280	0.000	1	120.7280	0.000	1	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Cu)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cu<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Cu)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.6490	0.215	2	120.2535	0.229	4	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Cu)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cu<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Cu)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.8580	0.126	2	120.2535	0.229	4	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Fe)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Fe<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Fe)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.8505	0.378	2	119.8505	0.143	2	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	119.9430	0.000	1	119.9430	0.000	1	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){2|H<1>,3|C<3>}	119.9061	0.426	8	119.9061	0.182	8	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|N<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|F<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	117.9910	0.000	1	119.1170	0.367	177	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.1800	0.000	1	119.1170	0.367	177	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.6320	0.000	1	119.1170	0.367	177	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.1900	0.377	4	119.1170	0.367	177	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.2100	0.000	1	119.1170	0.367	177	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.1160	0.000	1	119.1170	0.367	177	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	119.5720	0.000	1	119.1170	0.367	177	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.5277	1.318	3	119.1170	0.367	177	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	119.0565	0.238	2	119.1170	0.367	177	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	118.9160	0.479	10	119.1170	0.367	177	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.1056	0.282	5	119.1170	0.367	177	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.1485	0.087	4	119.1170	0.367	177	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.4500	0.421	10	119.1170	0.367	177	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|C<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	119.1190	0.386	2	119.1170	0.367	177	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	118.6980	0.410	4	119.1170	0.367	177	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	118.8990	0.000	1	119.1170	0.367	177	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.3851	0.454	95	119.1170	0.367	177	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	118.6391	0.530	8	119.1170	0.367	177	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	119.3293	0.176	4	119.1170	0.367	177	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	119.2820	0.000	1	119.1170	0.367	177	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.5856	0.616	18	119.1170	0.367	177	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]N)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]N){2|H<1>,3|C<3>}	120.0658	0.352	10	120.0658	0.124	10	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	119.3040	0.000	1	119.5794	0.175	8	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]O){1|H<1>,4|C<3>}	119.6187	0.436	7	119.5794	0.175	8	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.0570	0.132	2	119.2995	0.093	4	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.5420	0.163	2	119.2995	0.093	4	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N[5])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	119.3395	0.057	2	119.3395	0.003	2	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|Br<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,5|C<3>}	118.3005	0.385	8	118.3005	0.148	8	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]P)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|P<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]P)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.9067	0.224	10	120.0355	0.090	36	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]P)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|P<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]P)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.0850	0.314	26	120.0355	0.090	36	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Pd)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Pd<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Pd)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.6330	0.714	4	119.6330	0.509	4	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Pt)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Pt<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Pt)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.5840	0.000	1	119.5840	0.000	1	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.7823	0.325	7	119.4939	0.314	52	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|S<4>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	119.6595	1.162	2	119.4939	0.314	52	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|S<4>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.1990	0.000	1	119.4939	0.314	52	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	119.3420	0.000	1	119.4939	0.314	52	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.7770	0.860	2	119.4939	0.314	52	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.7344	0.338	11	119.4939	0.314	52	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.0297	0.243	3	119.4939	0.314	52	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.7760	0.394	23	119.4939	0.314	52	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	118.8875	0.238	2	119.4939	0.314	52	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Si)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Si<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Si)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.9710	0.333	6	119.9710	0.111	6	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]I)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|I<1>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]I)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	117.8470	0.000	1	118.4750	0.789	2	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]I)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|I<1>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]I)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.1030	0.000	1	118.4750	0.789	2	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]I)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Cu)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cu<4>,1|I<1>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]I)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Cu)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.6800	0.580	2	121.0772	0.361	4	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]I)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Cu)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cu<5>,1|I<1>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]I)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Cu)(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.4745	0.342	2	121.0772	0.361	4	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.4593	0.344	7	119.5931	0.111	11	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.8273	0.135	4	119.5931	0.111	11	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	120.6960	0.000	1	120.6960	0.000	1	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.8583	0.433	3	119.8583	0.188	3	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[5])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[5])(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.5300	0.000	1	119.5300	0.000	1	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[5a])(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.9100	0.120	2	119.9100	0.014	2	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[5a])(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.1816	1.032	10	119.1816	1.066	10	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[5a])(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.9260	0.000	1	119.9260	0.000	1	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[6])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[6])(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.0300	0.000	1	119.0300	0.000	1	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[6a])(H){1|N<3>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]N[6a]O){1|H<1>,4|C<3>}	119.6530	0.235	2	119.6530	0.055	2	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.3230	0.543	3	119.7095	0.455	8	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.0430	0.000	1	119.7095	0.455	8	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.1660	0.539	4	119.7095	0.455	8	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]Si)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Si<4>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]Si){1|H<1>,4|C<3>}	120.9810	0.000	1	120.9810	0.000	1	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	118.9855	0.066	2	119.2100	0.153	3	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){1|Si<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|Si<4>,1|H<1>,5|C<3>}	119.6590	0.000	1	119.2100	0.153	3	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.2810	0.000	1	119.7195	0.831	8	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	119.4370	0.000	1	119.7195	0.831	8	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.0750	0.000	1	119.7195	0.831	8	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.2975	0.401	4	119.7195	0.831	8	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	118.7730	0.000	1	119.7195	0.831	8	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,1|S<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.6590	0.000	1	119.5515	1.593	2	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.4440	0.000	1	119.5515	1.593	2	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]P)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|P<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]P)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.3130	0.284	2	119.3130	0.081	2	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Si)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Si<4>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Si)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.4021	0.207	7	119.4021	0.043	7	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]C)(H){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]C){1|H<1>,3|C<3>}	117.7705	0.076	2	118.0220	0.193	3	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]C)(H){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]C){1|H<1>,3|C<3>}	118.5250	0.000	1	118.0220	0.193	3	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]C)(H){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]H){1|H<1>,3|C<3>}	118.1030	0.273	2	118.1030	0.074	2	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]H)(H){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]N[6a]H){1|H<1>,3|C<3>}	117.7400	0.000	1	117.7400	0.000	1	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]H)(H){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]C){1|H<1>,3|C<3>}	118.0413	0.106	3	118.1077	0.034	9	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]H)(H){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]C){1|H<1>,3|C<3>}	118.1408	0.215	6	118.1077	0.034	9	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]H)(H){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]H){1|H<1>,3|C<3>}	118.1565	0.197	2	118.1565	0.039	2	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]N[6a]Br)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|N<2>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]H)(H){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]N[6a]Br){1|H<1>,3|C<3>}	119.2010	0.000	1	119.2010	0.000	1	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]O)(H){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]H){1|H<1>,3|C<3>}	118.6895	0.329	2	118.6895	0.108	2	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	119.7026	0.267	8	119.8179	0.141	11	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	120.1253	0.508	3	119.8179	0.141	11	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	120.1220	0.000	1	120.1220	0.000	1	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,2|N<2>,3|C<3>}	119.9318	0.297	5	119.9318	0.088	5	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	120.3960	0.000	1	119.5899	0.236	11	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	119.5093	0.428	10	119.5899	0.236	11	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	120.3650	0.000	1	120.2567	0.181	4	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	120.2207	0.514	3	120.2567	0.181	4	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){2|Cl<1>,1|C<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]Cl){2|H<1>,3|C<3>}	121.3270	0.000	1	121.3270	0.000	1	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	117.4280	0.000	1	118.1999	1.314	28	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.9798	0.451	6	118.1999	1.314	28	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	119.0490	0.150	2	118.1999	1.314	28	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	117.1500	0.223	3	118.1999	1.314	28	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	117.6714	0.606	16	118.1999	1.314	28	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	118.8790	0.023	2	119.1472	0.210	4	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.0030	0.000	1	119.1472	0.210	4	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.8280	0.000	1	119.1472	0.210	4	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|S<2>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.4530	0.000	1	119.4530	0.000	1	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	117.5970	0.820	5	117.8688	0.489	9	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.2085	0.361	4	117.8688	0.489	9	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	120.7080	0.000	1	120.7080	0.000	1	119.3855	0.716	2440	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a]){1|H<1>,8|C<3>}	121.8540	0.000	1	121.8540	0.000	1	121.8540	0.000	1	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a,6a]C[6a])(C[5a,6a]N[5a,5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,5a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a,6a]C[6a])(C[5a,6a]N[5a,5a]C[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	118.1720	0.542	3	118.3157	0.157	8	118.3464	0.146	9	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a,6a]C[6a])(C[5a,6a]N[5a,5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,5a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a,6a]C[6a])(C[5a,6a]N[5a,5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	118.4020	0.322	5	118.3157	0.157	8	118.3464	0.146	9	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a,6a]C[6a])(C[5a,6a]N[5a,5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[5a])(H)	C[5a,6a](N[5a,5a]C[5a,5a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a,6a]C[6a])(C[5a,6a]N[5a,5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[5a])(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	118.5920	0.000	1	118.5920	0.000	1	118.3464	0.146	9	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6]C[5a,6,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](N[5a,6]C[5a,6,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.9900	0.000	1	119.9900	0.000	1	119.9900	0.000	1	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	120.0610	0.000	1	120.0610	0.000	1	120.1370	0.007	3	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	120.1750	0.075	2	120.1750	0.006	2	120.1370	0.007	3	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](N[5a]B[5x3,5x5,20x6]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|B<6>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](N[5a]B[5x3,5x5,20x6]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<6>,2|H<1>,3|C<3>,4|B<6>}	121.2113	0.679	4	121.2113	0.461	4	121.2113	0.461	4	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:N[5a]-3:N[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O){1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(O){2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a]2){1|O<1>,6|C<3>}	122.7980	0.559	2	122.7980	0.312	2	122.7980	0.312	2	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]C)(O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a,6a]C)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]N[6a]O){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]C)(O){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a,6a]C){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	124.1700	0.000	1	124.1700	0.000	1	124.1700	0.000	1	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]C)(O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]O){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]C)(O){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	120.4790	0.000	1	120.4790	0.000	1	120.9342	0.179	4	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]H)(O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]O){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]H)(O){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	121.0860	0.362	3	121.0860	0.131	3	120.9342	0.179	4	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a]2)(O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]O){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a]2)(O){1|C<4>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	121.9430	0.000	1	121.9430	0.000	1	121.9430	0.000	1	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[5a,6a]C[5a,6a]2)(H){1|N<3>,3|C<3>,4|C<4>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6,6a]H){1|C<4>,1|H<1>,3|C<3>}	119.4760	0.000	1	119.4760	0.000	1	118.9874	0.782	8	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,2|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6,6a]H){1|H<1>,4|C<3>}	119.3790	0.000	1	119.3790	0.000	1	118.9874	0.782	8	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[5a,6a]C[5a,6a]2)(H){2|C<4>,2|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6,6a]H){1|H<1>,1|N<3>,5|C<3>}	118.7940	0.000	1	118.7940	0.000	1	118.9874	0.782	8	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,2|C<4>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6,6a]C){1|C<4>,1|H<1>,3|C<3>}	118.6890	0.000	1	118.6890	0.000	1	118.9874	0.782	8	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[5a,6a]C[5a,6a]2)(H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6,6a]H){1|C<4>,1|H<1>,3|C<3>}	118.6870	0.123	2	118.6870	0.015	2	118.9874	0.782	8	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6,6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[5a,6a]C[5a,6a]2)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6,6a]O){1|C<4>,1|H<1>,3|C<3>}	120.6330	0.000	1	119.0935	4.740	2	118.9874	0.782	8	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6,6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[5a,6a]C[5a,6a]2)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6,6a]O){1|H<1>,4|C<3>}	117.5540	0.000	1	119.0935	4.740	2	118.9874	0.782	8	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H){2|H<1>,5|C<3>}	120.1935	0.271	2	120.1935	0.073	2	120.1935	0.073	2	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(C[5a]C[5a,6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a,6a]H){1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]2)(H){7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(C[5a]C[5a,6a]O){2|H<1>,5|C<3>}	121.4760	0.000	1	121.4760	0.000	1	121.4760	0.000	1	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]C){1|H<1>,4|C<3>}	117.4320	0.000	1	117.4320	0.000	1	119.0819	1.180	16	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]C){1|H<1>,4|C<3>}	119.0202	0.322	5	119.0202	0.104	5	119.0819	1.180	16	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H){3|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]H){1|H<1>,4|C<3>}	119.7380	0.000	1	118.8493	2.010	6	119.0819	1.180	16	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H){3|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|N<3>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]H){1|H<1>,4|C<3>}	119.7435	2.265	2	118.8493	2.010	6	119.0819	1.180	16	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H){3|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|O<1>,2|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]H){1|H<1>,1|N<3>,3|C<3>}	117.9570	0.267	3	118.8493	2.010	6	119.0819	1.180	16	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]S)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H){1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]S){1|H<1>,4|C<3>}	119.9202	0.672	4	119.9202	0.451	4	119.0819	1.180	16	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	118.5360	0.000	1	118.5360	0.000	1	118.5360	0.000	1	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,5|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){2|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]H){1|H<1>,1|N<3>,5|C<3>}	120.2730	0.000	1	120.2730	0.000	1	120.2730	0.000	1	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|N<3>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H){2|H<1>,5|C<3>}	119.4730	0.000	1	119.4730	0.000	1	119.4730	0.000	1	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5,6a]-3:C[5a,6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]C[5a,5a]C)(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[5a])(H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]C[5a,5a]C)(C[6a]C[5,6a]H){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[5a])(H){1|S<2>,6|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H){1|H<1>,5|C<3>}	119.3790	0.000	1	119.3790	0.000	1	119.5677	0.093	3	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5,6a]-3:C[5a,6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]C[5a,5a]C[6a])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[5a])(H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]C[5a,5a]C[6a])(C[6a]C[5,6a]H){1|H<1>,1|S<2>,5|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[5a])(H){7|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H){1|H<1>,1|S<2>,5|C<3>}	119.6620	0.365	2	119.6620	0.133	2	119.5677	0.093	3	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[5,6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[5a])(H){7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H){2|H<1>,5|C<3>}	120.7640	0.000	1	120.7640	0.000	1	120.7640	0.000	1	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[5,6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5,5])(H)	C[5a,6a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[5,6a]H){1|H<1>,1|S<4>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5,5])(H){7|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H){1|H<1>,1|S<4>,5|C<3>}	121.6560	0.000	1	121.6560	0.000	1	121.6560	0.000	1	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]C[5a,5a]N)(C[6a]C[5,6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]C[5a,5a]N)(C[6a]C[5,6a]H){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(H){2|N<2>,5|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H){1|H<1>,1|N<2>,4|C<3>}	121.7420	0.000	1	121.7420	0.000	1	121.7420	0.000	1	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[5,6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[5,6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(H){1|C<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H){1|C<2>,2|H<1>,4|C<3>}	121.6250	0.107	2	121.6250	0.012	2	121.0577	2.871	4	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6a]C[5,6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6a]C[5,6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(H){7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H){2|H<1>,5|C<3>}	118.5780	0.000	1	118.5780	0.000	1	121.0577	2.871	4	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[5,6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[5,6a]H){1|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(H){7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H){1|H<1>,6|C<3>}	122.4030	0.000	1	122.4030	0.000	1	121.0577	2.871	4	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[5,6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[5,6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[5,6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[5,6a]H){1|N<2>,2|C<3>,2|H<1>,2|O<2>}	120.5630	0.000	1	120.5630	0.000	1	120.5630	0.000	1	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[5,6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[5,6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H){1|O<2>,2|H<1>,4|C<3>}	120.3990	0.000	1	120.3990	0.000	1	120.1615	0.113	2	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[5,6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[5,6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	119.9240	0.000	1	119.9240	0.000	1	120.1615	0.113	2	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]C[5a,5a]O)(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[5a])(H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]C[5a,5a]O)(C[6a]C[5a,6a]H){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[5a])(H){1|O<1>,1|S<2>,5|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,1|O<1>,4|C<3>}	122.7130	0.000	1	122.7130	0.000	1	122.7130	0.000	1	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[5a,6a]H){1|B<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[5a])(H){1|B<4>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[5a,6a]H){1|H<1>,1|N<2>,1|N<3>,2|F<1>,3|C<3>}	118.9010	0.242	2	118.9010	0.058	2	118.9010	0.058	2	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:I-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[5a,6a]I)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2)(I)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]I)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[5a,6a]I){1|I<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2)(I){1|O<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]I){1|F<1>,1|I<1>,1|O<1>,4|C<3>}	123.8900	0.000	1	123.8900	0.000	1	123.8900	0.000	1	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a,6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a,6a]H){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,1|S<4>,4|C<3>}	121.1060	0.000	1	121.1060	0.000	1	120.8507	0.122	3	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a,6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a,6a]H){1|B<4>,1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H){1|B<4>,2|H<1>,4|C<3>}	120.7230	0.383	2	120.7230	0.147	2	120.8507	0.122	3	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:O-1:	C[5a,6a]-3:N[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a,6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a,6a]O){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(O){1|H<1>,2|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a]H)(N[5a]C[5a]H){1|O<1>,4|C<3>}	119.9560	0.000	1	119.9560	0.000	1	119.9560	0.000	1	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[4])(C[6a]C[6a]Br)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Br)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[4])(C[6a]C[6a]Br){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Br){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	116.4820	0.000	1	116.4820	0.000	1	116.4820	0.000	1	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]B[5])(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]B[5])(C[6a]C[6a]F){2|F<1>,2|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F){1|B<3>,1|F<1>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F){1|B<3>,2|F<1>,4|C<3>}	119.0570	0.000	1	119.0570	0.000	1	119.0570	0.000	1	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]H)(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]H)(C[6a]C[6a]F){1|B<4>,2|C<3>,2|F<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F){1|F<1>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F){1|B<4>,2|C<3>,2|F<1>,2|H<1>}	120.5690	0.000	1	120.5690	0.000	1	119.9405	0.790	2	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]N)(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]N)(C[6a]C[6a]F){1|B<4>,2|C<3>,2|F<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F){1|F<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F){1|B<4>,1|H<1>,1|N<3>,2|C<3>,2|F<1>}	119.3120	0.000	1	119.3120	0.000	1	119.9405	0.790	2	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]F){2|F<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F){1|F<1>,1|O<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F){1|I<1>,1|O<1>,2|F<1>,3|C<3>}	122.7530	0.000	1	122.7530	0.000	1	122.7530	0.000	1	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]F)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]F){1|Cu<4>,1|C<3>,1|N<2>,2|F<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F){1|F<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]F){1|Cu<4>,1|C<3>,1|N<2>,2|F<1>}	120.5019	2.844	8	120.5019	8.090	8	120.5019	8.090	8	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(F)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]F){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(F){1|F<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|H<1>,2|C<3>,2|F<1>}	116.4770	0.184	2	116.4770	0.034	2	118.7718	1.919	31	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(F)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]F){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(F){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|F<1>,2|H<1>}	116.6660	0.000	1	116.6660	0.000	1	118.7718	1.919	31	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(F)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]F){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(F){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|F<1>,1|H<1>,3|C<3>}	116.2900	0.000	1	116.2900	0.000	1	118.7718	1.919	31	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]N[5a]B)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]F){1|B<4>,2|F<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F){1|F<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]N[5a]B){2|C<3>,2|F<1>}	119.6361	0.751	11	119.6361	0.563	11	118.7718	1.919	31	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]F){1|H<1>,2|F<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F){1|F<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]N[5a]H){2|C<3>,2|F<1>}	117.5357	0.601	3	117.5357	0.361	3	118.7718	1.919	31	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]N[5a]B)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]F){1|B<4>,1|C<3>,2|F<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F){1|C<3>,1|C<4>,1|F<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]N[5a]B){1|C<3>,1|C<4>,2|F<1>}	119.7058	1.383	6	119.7058	1.913	6	118.7718	1.919	31	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]F){1|C<3>,1|H<1>,2|F<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F){1|C<3>,1|C<4>,1|F<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]N[5a]H){1|C<3>,1|C<4>,2|F<1>}	118.4540	0.540	7	118.4540	0.292	7	118.7718	1.919	31	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Pt)(C[6a]C[6a]F)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]F){1|Pt<4>,2|C<3>,2|F<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F){1|F<1>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Pt)(C[6a]C[6a]F){1|H<1>,2|C<3>,2|F<1>}	119.3090	0.000	1	119.3090	0.000	1	119.0733	0.558	6	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(F)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Pt)(C[6a]C[6a]F)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]F){1|Pt<4>,1|F<1>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(F){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Pt)(C[6a]C[6a]F){1|F<1>,2|C<3>,2|H<1>}	118.8240	0.000	1	118.8240	0.000	1	119.0733	0.558	6	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(F)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]F){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(F){1|H<1>,1|I<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|F<1>,1|H<1>,1|I<1>,1|N<3>,2|N<2>}	117.7590	0.000	1	117.7590	0.000	1	119.0733	0.558	6	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]F)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]F){2|C<3>,2|F<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F){1|C<3>,1|F<1>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]F){1|N<2>,2|F<1>,3|C<3>}	119.5160	0.423	3	119.5160	0.179	3	119.0733	0.558	6	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]C[5])(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]C[5])(C[6a]C[6a]F){1|N<2>,2|F<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F){1|F<1>,1|O<2>,5|C<3>}	118.3380	0.000	1	118.3380	0.000	1	118.0830	0.226	3	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]C[5a])(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]C[5a])(C[6a]C[6a]F){1|N<3>,2|F<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F){1|F<1>,1|N<3>,3|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F){2|F<1>,5|C<3>}	117.9555	0.595	2	117.9555	0.354	2	118.0830	0.226	3	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|C<2>,1|H<1>,5|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|C<2>,2|H<1>,3|C<3>}	121.2020	0.000	1	121.2020	0.000	1	120.1204	0.410	8	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	119.7050	0.000	1	119.7050	0.000	1	120.1204	0.410	8	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C[5a])(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	120.0480	0.000	1	120.0480	0.000	1	120.1204	0.410	8	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.6910	0.000	1	119.6910	0.000	1	120.1204	0.410	8	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	120.5150	0.454	2	120.5150	0.206	2	120.1204	0.410	8	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]Si)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]Si)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|Si<4>,2|H<1>,3|C<3>}	119.2160	0.000	1	119.6435	0.366	2	120.1204	0.410	8	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]Si)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]Si)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Si<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|Si<4>,1|H<1>,1|N<3>,3|C<3>}	120.0710	0.000	1	119.6435	0.366	2	120.1204	0.410	8	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]C[5a,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5,5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]C[5a,5a]C)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]C[5,5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|S<2>,2|H<1>,3|C<3>}	120.8930	0.000	2	120.8930	0.000	2	119.7909	0.621	7	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5,5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H){2|H<1>,2|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]C[5,5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	119.5370	0.231	2	119.5370	0.053	2	119.7909	0.621	7	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]N[5a,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]N[5a,5a]C)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	119.3865	0.036	2	119.2253	0.079	3	119.7909	0.621	7	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]N[5a,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]N[5a,5a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	118.9030	0.000	1	119.2253	0.079	3	119.7909	0.621	7	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	119.3297	0.241	3	119.3297	0.058	3	120.3921	0.480	38	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[5a])(C[6a]C[6a]H){1|B<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|B<4>,1|C<4>,2|H<1>,3|C<3>}	121.1150	0.379	2	120.3979	0.382	9	120.3921	0.480	38	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[5a])(C[6a]C[6a]H){1|B<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	120.1692	0.559	6	120.3979	0.382	9	120.3921	0.480	38	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[5a])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	120.3360	0.000	1	120.3979	0.382	9	120.3921	0.480	38	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]N[5a,6]N[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[5a])(C[6a]C[6a]H){1|B<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6]N[5a,6]N[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,3|C<3>}	120.4010	0.232	2	120.0102	0.246	4	120.3921	0.480	38	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]N[5a,6]N[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[5a])(C[6a]C[6a]H){1|B<4>,1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6]N[5a,6]N[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,3|C<3>}	119.6195	0.274	2	120.0102	0.246	4	120.3921	0.480	38	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	121.2395	0.120	4	120.6246	0.243	14	120.3921	0.480	38	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	120.3787	0.333	10	120.6246	0.243	14	120.3921	0.480	38	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]N[5a,6]N[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6]N[5a,6]N[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,3|C<3>}	120.5747	0.924	6	120.5747	0.855	6	120.3921	0.480	38	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,1|H<1>,1|I<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	120.5475	1.197	2	120.5475	1.433	2	120.3921	0.480	38	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]C[5a,5a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a,5a]C[5a,5a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]C[5a,5a]O)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a,5a]C[5a,5a]2)(C[6a]C[6a]H){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	121.3015	0.513	4	121.6737	0.490	6	121.6737	0.490	6	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]C[5a,5a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a,5a]C[5a,5a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]C[5a,5a]O)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a,5a]C[5a,5a]2)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,2|S<2>}	122.4180	0.000	2	121.6737	0.490	6	121.6737	0.490	6	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5,6a]C[5,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5,6a]H)(H){5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5,6a]C[5,6a]2){2|H<1>,7|C<3>}	121.3170	0.300	3	121.3170	0.090	3	121.3170	0.090	3	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	120.5450	0.000	1	120.5450	0.000	1	121.2773	1.076	36	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|N<3>,2|H<1>,3|C<3>}	120.3650	0.000	1	120.4125	0.982	4	121.2773	1.076	36	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,3|C<3>,3|H<1>}	121.2380	0.000	1	120.4125	0.982	4	121.2773	1.076	36	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	120.0235	1.399	2	120.4125	0.982	4	121.2773	1.076	36	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	118.8880	0.000	1	118.8880	0.000	1	121.2773	1.076	36	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	120.9355	0.012	2	120.9355	0.000	2	121.2773	1.076	36	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	120.1590	0.000	2	119.7730	0.290	4	121.2773	1.076	36	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	119.7580	0.000	1	119.7730	0.290	4	121.2773	1.076	36	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	119.0160	0.000	1	119.7730	0.290	4	121.2773	1.076	36	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	120.0680	0.000	1	120.0680	0.000	1	121.2773	1.076	36	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|O<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	121.4220	0.000	1	121.4220	0.000	1	121.2773	1.076	36	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|O<1>,2|H<1>,3|C<3>}	121.7070	0.000	1	121.9086	0.262	11	121.2773	1.076	36	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	122.0193	0.479	9	121.9086	0.262	11	121.2773	1.076	36	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	121.1140	0.000	1	121.9086	0.262	11	121.2773	1.076	36	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	121.4780	0.520	2	121.4780	0.271	2	121.2773	1.076	36	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	122.0552	0.361	9	122.0552	0.130	9	121.2773	1.076	36	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a]){3|H<1>,5|C<3>}	121.6260	0.000	1	121.6260	0.000	1	121.0780	0.601	2	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H){1|N<2>,2|C<3>,2|H<1>}	120.5300	0.000	1	120.5300	0.000	1	121.0780	0.601	2	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C){2|H<1>,4|C<3>}	118.2050	0.000	1	118.2050	0.000	1	118.1092	0.452	6	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]C[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>,2|S<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]H){2|H<1>,4|C<3>}	117.7540	0.346	2	117.7540	0.120	2	118.1092	0.452	6	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C){3|C<3>,3|H<1>}	117.8235	0.555	2	117.8235	0.308	2	118.1092	0.452	6	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	119.2950	0.000	1	119.2950	0.000	1	118.1092	0.452	6	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|Cu<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Cu<4>,2|C<3>,2|H<1>}	120.1567	0.178	3	120.1567	0.032	3	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]O[5a])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]O[5a])(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	120.9780	0.000	1	120.3160	0.876	2	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]O[5a])(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]O[5a])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	119.6540	0.000	1	120.3160	0.876	2	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]O[5a])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	120.3730	0.000	1	120.3730	0.000	1	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	119.9860	0.000	1	119.9860	0.000	1	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|Zn<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Zn<4>,2|C<3>,2|H<1>}	121.0287	0.194	3	121.0287	0.038	3	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]O[5a])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	119.3330	0.000	1	119.3330	0.000	1	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	119.6425	0.119	8	119.6425	0.014	8	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	119.2110	0.324	2	119.2110	0.105	2	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Cu<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|Cu<4>,1|N<3>,2|H<1>,3|C<3>}	119.7170	0.204	3	119.7170	0.042	3	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	119.9180	0.000	1	119.9180	0.000	1	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	120.2155	0.022	2	120.7376	0.986	107	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	119.2990	0.000	1	120.7376	0.986	107	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	119.7590	0.000	1	120.7376	0.986	107	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<2>,2|C<3>,2|H<1>}	120.1500	0.000	1	120.7376	0.986	107	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	120.5567	0.177	4	120.7376	0.986	107	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Co<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Co<4>,2|C<3>,2|H<1>}	121.1645	0.515	18	120.7376	0.986	107	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Co<6>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Co<6>,2|C<3>,2|H<1>}	121.0252	0.580	16	120.7376	0.986	107	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Cu<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Cu<4>,2|C<3>,2|H<1>}	120.2995	0.943	12	120.7376	0.986	107	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Fe<5>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Fe<5>,2|C<3>,2|H<1>}	121.2218	0.397	4	120.7376	0.986	107	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Fe<6>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Fe<6>,2|C<3>,2|H<1>}	120.8915	0.442	24	120.7376	0.986	107	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Ir<7>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Ir<7>,2|C<3>,2|H<1>}	119.8052	1.210	6	120.7376	0.986	107	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Ni<6>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Ni<6>,2|C<3>,2|H<1>}	120.5800	0.151	2	120.7376	0.986	107	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Pt<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Pt<4>,2|C<3>,2|H<1>}	120.7416	2.625	8	120.7376	0.986	107	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	120.4680	0.000	1	120.7376	0.986	107	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	120.4890	1.020	7	120.7376	0.986	107	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){2|C<3>,3|H<1>}	119.7247	1.234	3	119.7247	1.522	3	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	119.7920	0.000	1	119.7920	0.000	1	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C[6])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C[6])(C[6a]C[6a]H){3|H<1>,4|C<3>}	120.2267	0.436	4	120.2267	0.190	4	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|H<1>}	121.3830	0.000	1	121.3830	0.000	1	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	121.1940	0.190	2	121.1940	0.036	2	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	120.8247	0.383	6	120.8785	0.219	10	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ir<8>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ir<8>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	120.7495	0.165	2	120.8785	0.219	10	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Os<6>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Os<6>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	121.1690	0.996	2	120.8785	0.219	10	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Zn<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|Zn<4>,1|N<2>,2|H<1>,3|C<3>}	120.2537	0.307	4	120.2537	0.094	4	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<2>,3|H<1>}	122.2870	0.937	3	122.2870	0.879	3	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Al<5>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Al<5>,1|C<3>,1|N<2>,2|H<1>}	121.5301	0.293	11	121.2227	0.542	741	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|V<5>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|V<5>,2|H<1>}	121.1322	0.411	24	121.2227	0.542	741	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|C<3>,1|N<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|C<3>,1|N<2>,3|H<1>}	121.2638	0.399	27	121.2227	0.542	741	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|C<3>,1|N<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|H<1>}	119.5330	0.000	1	121.2227	0.542	741	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|C<3>,1|N<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	119.9890	0.000	1	121.2227	0.542	741	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|C<3>,1|N<2>,3|H<1>}	120.5040	0.000	1	121.2227	0.542	741	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ca<10>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ca<10>,1|C<3>,1|N<2>,2|H<1>}	121.1805	0.394	2	121.2227	0.542	741	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Cd<6>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Cd<6>,1|C<3>,1|N<2>,2|H<1>}	121.5636	0.554	15	121.2227	0.542	741	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Cd<6>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Cd<6>,1|C<3>,1|N<3>,2|H<1>}	121.2670	0.008	2	121.2227	0.542	741	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Cd<6>,1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Cd<6>,1|C<3>,1|N<2>,2|H<1>}	121.7425	0.284	2	121.2227	0.542	741	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Co<4>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Co<4>,1|C<3>,1|N<2>,2|H<1>}	121.2590	0.625	2	121.2227	0.542	741	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Co<5>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Co<5>,1|C<3>,1|N<2>,2|H<1>}	121.2339	0.322	19	121.2227	0.542	741	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Co<5>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Co<5>,1|C<3>,1|N<3>,2|H<1>}	120.9870	0.000	2	121.2227	0.542	741	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Co<5>,1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Co<5>,1|C<3>,1|N<2>,2|H<1>}	121.0700	0.000	2	121.2227	0.542	741	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Co<6>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Co<6>,1|C<3>,1|N<2>,2|H<1>}	121.3899	0.595	57	121.2227	0.542	741	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Co<6>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Co<6>,1|C<3>,1|N<3>,2|H<1>}	121.2050	0.000	2	121.2227	0.542	741	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Co<6>,1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Co<6>,1|C<3>,1|N<2>,2|H<1>}	121.1890	0.000	2	121.2227	0.542	741	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Cr<5>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Cr<5>,1|C<3>,1|N<2>,2|H<1>}	121.1655	0.702	54	121.2227	0.542	741	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Cr<6>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Cr<6>,1|C<3>,1|N<2>,2|H<1>}	121.2302	2.562	4	121.2227	0.542	741	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Cu<4>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Cu<4>,1|C<3>,1|N<2>,2|H<1>}	121.2186	0.548	16	121.2227	0.542	741	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Cu<5>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Cu<5>,1|C<3>,1|N<2>,2|H<1>}	121.3235	0.049	2	121.2227	0.542	741	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Fe<4>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Fe<4>,1|C<3>,1|N<2>,2|H<1>}	121.1914	0.564	29	121.2227	0.542	741	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Fe<5>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Fe<5>,1|C<3>,1|N<2>,2|H<1>}	121.3993	0.575	10	121.2227	0.542	741	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Fe<6>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Fe<6>,1|C<3>,1|N<2>,2|H<1>}	121.2983	0.557	56	121.2227	0.542	741	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Fe<6>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Fe<6>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	121.2495	0.657	2	121.2227	0.542	741	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ir<7>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ir<7>,1|C<3>,1|N<3>,2|H<1>}	120.6830	0.000	1	121.2227	0.542	741	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ir<7>,1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ir<7>,1|C<3>,1|N<2>,2|H<1>}	120.4690	0.000	1	121.2227	0.542	741	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ir<8>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ir<8>,1|C<3>,1|N<2>,2|H<1>}	121.2425	1.079	18	121.2227	0.542	741	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Li<4>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Li<4>,1|C<3>,1|N<2>,2|H<1>}	121.2248	0.597	20	121.2227	0.542	741	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Li<5>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Li<5>,1|C<3>,1|N<2>,2|H<1>}	121.5205	0.247	2	121.2227	0.542	741	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Li<5>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Li<5>,1|C<3>,1|N<3>,2|H<1>}	121.2680	0.843	3	121.2227	0.542	741	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Li<5>,1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Li<5>,1|C<3>,1|N<2>,2|H<1>}	121.3880	0.760	3	121.2227	0.542	741	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Li<5>,1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Li<5>,1|C<3>,1|N<3>,2|H<1>}	121.3345	1.882	2	121.2227	0.542	741	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Mg<5>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Mg<5>,1|C<3>,1|N<2>,2|H<1>}	120.9638	0.849	39	121.2227	0.542	741	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Mn<5>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Mn<5>,1|C<3>,1|N<2>,2|H<1>}	120.8368	1.417	16	121.2227	0.542	741	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Mn<6>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Mn<6>,1|C<3>,1|N<2>,2|H<1>}	121.2334	0.323	8	121.2227	0.542	741	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Mn<6>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Mn<6>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	120.2320	0.799	2	121.2227	0.542	741	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ni<4>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ni<4>,1|C<3>,1|N<2>,2|H<1>}	121.3538	0.478	10	121.2227	0.542	741	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ni<4>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ni<4>,1|C<3>,1|N<3>,2|H<1>}	121.4758	0.703	4	121.2227	0.542	741	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ni<4>,1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ni<4>,1|C<3>,1|N<2>,2|H<1>}	120.9553	0.679	4	121.2227	0.542	741	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ni<6>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ni<6>,1|C<3>,1|N<2>,2|H<1>}	121.6540	0.047	2	121.2227	0.542	741	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Pd<4>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Pd<4>,1|C<3>,1|N<2>,2|H<1>}	121.1450	0.464	8	121.2227	0.542	741	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Pt<4>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Pt<4>,1|C<3>,1|N<2>,2|H<1>}	121.6078	0.671	18	121.2227	0.542	741	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Re<6>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Re<6>,1|C<3>,1|N<2>,2|H<1>}	121.8471	0.575	16	121.2227	0.542	741	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Re<6>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Re<6>,1|C<3>,1|N<3>,2|H<1>}	121.5877	0.181	3	121.2227	0.542	741	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Re<6>,1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Re<6>,1|C<3>,1|N<2>,2|H<1>}	121.2630	0.368	3	121.2227	0.542	741	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ru<5>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ru<5>,1|C<3>,1|N<2>,2|H<1>}	121.3096	0.225	5	121.2227	0.542	741	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ru<6>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ru<6>,1|C<3>,1|N<2>,2|H<1>}	121.2196	1.014	32	121.2227	0.542	741	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ru<6>,1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ru<6>,1|C<3>,1|N<3>,2|H<1>}	121.1825	0.568	4	121.2227	0.542	741	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ru<7>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ru<7>,1|C<3>,1|N<2>,2|H<1>}	121.3345	0.170	8	121.2227	0.542	741	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ru<7>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ru<7>,1|C<3>,1|N<3>,2|H<1>}	121.1720	0.000	1	121.2227	0.542	741	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ru<7>,1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ru<7>,1|C<3>,1|N<2>,2|H<1>}	121.2840	0.000	1	121.2227	0.542	741	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ru<8>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ru<8>,1|C<3>,1|N<2>,2|H<1>}	121.3755	0.477	4	121.2227	0.542	741	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ru<9>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ru<9>,1|C<3>,1|N<2>,2|H<1>}	121.4780	0.294	2	121.2227	0.542	741	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Sn<4>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Sn<4>,1|C<3>,1|N<2>,2|H<1>}	121.0189	0.637	32	121.2227	0.542	741	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Sn<5>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Sn<5>,1|C<3>,1|N<2>,2|H<1>}	121.1430	0.426	23	121.2227	0.542	741	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Sn<6>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Sn<6>,1|C<3>,1|N<2>,2|H<1>}	120.8078	0.883	28	121.2227	0.542	741	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ti<5>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ti<5>,1|C<3>,1|N<2>,2|H<1>}	120.9485	0.514	8	121.2227	0.542	741	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ti<7>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ti<7>,1|C<3>,1|N<2>,2|H<1>}	121.1755	0.355	8	121.2227	0.542	741	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Zn<4>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Zn<4>,1|C<3>,1|N<2>,2|H<1>}	121.4170	0.558	12	121.2227	0.542	741	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Zn<5>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Zn<5>,1|C<3>,1|N<2>,2|H<1>}	121.1625	0.383	33	121.2227	0.542	741	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Zn<6>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Zn<6>,1|C<3>,1|N<2>,2|H<1>}	121.8995	1.948	2	121.2227	0.542	741	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Zn<6>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Zn<6>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	119.9455	1.073	2	121.2227	0.542	741	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Zr<8>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Zr<8>,1|C<3>,1|N<2>,2|H<1>}	121.6217	2.525	8	121.2227	0.542	741	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|C<3>,1|N<2>,3|H<1>}	122.7010	0.000	1	122.0693	0.652	12	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	121.5385	0.186	2	122.0693	0.652	12	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Fe<6>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Fe<6>,1|C<3>,1|N<2>,2|H<1>}	121.9880	0.870	2	122.0693	0.652	12	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Mn<6>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Mn<6>,1|C<3>,1|N<2>,2|H<1>}	122.9235	0.865	2	122.0693	0.652	12	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ni<4>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ni<4>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	121.3703	0.094	3	122.0693	0.652	12	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Zn<6>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Zn<6>,1|C<3>,1|N<2>,2|H<1>}	122.5600	1.112	2	122.0693	0.652	12	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<1>,2|H<1>}	121.0420	0.457	2	121.0420	0.209	2	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	120.8454	0.703	16	120.8454	0.494	16	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]O[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]O[5a]N)(C[6a]C[6a]H){2|C<3>,2|H<1>}	120.0590	0.504	5	120.0590	0.254	5	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]O[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]O[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]O[5a]C[5])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|S<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]O[5a]C[5])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|S<2>}	120.3450	0.339	2	120.3450	0.115	2	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]O[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]O[5a]N)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|H<1>}	121.7876	0.310	5	121.7876	0.096	5	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	120.3097	0.238	6	120.3097	0.057	6	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	120.6020	0.000	1	120.6020	0.000	1	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]C)(C[6a]C[6a]H){1|C<3>,1|S<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]S)(C[6a]C[6a]H){2|C<3>,2|H<1>}	119.4300	0.000	1	119.4300	0.000	1	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	119.9810	0.000	1	119.9810	0.000	1	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]S)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]C)(C[6a]C[6a]H){1|C<3>,1|S<1>,2|H<1>}	120.9590	0.000	1	120.9590	0.000	1	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]Si)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]Si)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]H)(C[6a]C[6a]2){1|Si<4>,2|H<1>,3|C<3>}	118.8360	0.132	2	118.8360	0.017	2	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]Si)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]Si)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]Si)(C[6a]C[6a]H){1|Si<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]Si)(C[6a]C[6a]2){1|Si<4>,2|H<1>,3|C<3>}	120.4440	0.004	2	120.4440	0.000	2	121.1030	0.685	957	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N[6a]-3:	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(N[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(N[6a]C[6a]C){2|C<3>,3|H<1>}	119.2340	0.000	1	119.2340	0.000	1	119.2340	0.000	1	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]B[5a]C[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]B[5a]C[5a])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|B<3>,1|C<3>,3|H<1>}	118.7610	0.000	1	118.7610	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]B[5a]C[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]B[5a]C[5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|F<1>,2|H<1>,2|O<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|B<3>,1|C<3>,3|H<1>}	118.7370	0.000	1	118.7370	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[4a]C[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[4a]C[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	119.5060	0.000	1	118.9170	0.274	3	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[4a]C[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[4a]C[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	118.6225	0.166	2	118.9170	0.274	3	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,5]C[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,5]C[5a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	119.2080	0.000	1	119.2080	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,5]C[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,5]C[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	119.4890	0.000	1	118.7258	0.360	4	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,5]C[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,5]C[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	118.4713	0.389	3	118.7258	0.360	4	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,6]C[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,6]C[5a])(C[6a]C[6a]H){1|Br<1>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	118.7200	0.000	1	118.7200	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,6]C[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,6]C[5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|S<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	118.2305	0.377	2	118.2305	0.142	2	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,6]C[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,6]C[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	118.2670	0.000	1	118.3090	0.147	3	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,6]C[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,6]C[5a])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	117.9480	0.000	1	118.3090	0.147	3	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,6]C[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,6]C[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	118.7120	0.000	1	118.3090	0.147	3	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	118.5395	0.711	4	118.8412	0.834	5	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|Br<1>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	120.0480	0.000	1	118.8412	0.834	5	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<4>,1|F<1>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	119.0872	0.419	4	119.0872	0.176	4	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	118.9320	0.000	1	118.6470	0.591	11	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|N<3>,2|C<3>,2|H<1>}	118.0650	0.000	1	118.6470	0.591	11	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	118.4980	0.457	4	118.6470	0.591	11	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|N<3>,2|C<3>,2|H<1>}	118.6620	0.203	3	118.6470	0.591	11	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	117.5990	0.000	1	118.6470	0.591	11	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|Cl<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Cl<1>,2|C<3>,2|H<1>}	120.5430	0.000	1	118.6470	0.591	11	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	117.2610	0.000	1	118.7478	0.339	25	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	119.0020	0.076	2	118.7478	0.339	25	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	118.3556	0.276	5	118.7478	0.339	25	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	118.5080	0.000	1	118.7478	0.339	25	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	118.5548	0.356	5	118.7478	0.339	25	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	119.2910	1.048	2	118.7478	0.339	25	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	118.5290	0.000	1	118.7478	0.339	25	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	119.1573	0.356	8	118.7478	0.339	25	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|N<3>,1|S<4>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){2|C<3>,3|H<1>}	119.2920	0.000	1	119.2790	0.000	2	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|N<3>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){2|H<1>,3|C<3>}	119.2660	0.000	1	119.2790	0.000	2	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]B[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]B[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|B<3>,1|C<3>,3|H<1>}	118.4635	0.606	2	118.4635	0.367	2	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|Br<1>,1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,3|H<1>}	120.1020	0.000	1	120.1020	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){2|Br<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|Br<1>,1|C<3>,2|H<1>}	119.6070	0.000	1	119.6070	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H){1|Br<1>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){2|Br<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|Br<1>,1|C<3>,2|H<1>}	120.2510	0.000	1	120.2510	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,1|N<2>,2|H<1>}	119.6325	0.104	2	119.7826	0.202	5	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,1|N<3>,2|H<1>}	119.5520	0.257	2	119.7826	0.202	5	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,1|N<3>,2|H<1>}	120.5440	0.000	1	119.7826	0.202	5	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	120.1344	0.459	10	120.1344	0.210	10	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	118.9496	0.169	5	119.4797	0.575	14	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	119.1250	0.317	4	119.4797	0.575	14	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	119.4080	0.000	1	119.4797	0.575	14	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	120.9190	0.270	2	119.4797	0.575	14	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|Br<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,2|C<3>,2|H<1>}	119.8510	0.000	1	119.4797	0.575	14	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	120.3710	0.000	1	119.4797	0.575	14	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	119.0323	0.268	4	119.0576	0.658	34	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|Br<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Br<1>,2|C<3>,2|H<1>}	119.6680	0.000	1	119.0576	0.658	34	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	118.8889	1.004	15	119.0576	0.658	34	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	119.1710	0.191	7	119.0576	0.658	34	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	119.2327	1.005	7	119.0576	0.658	34	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	118.2870	0.000	1	118.2870	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<2>,2|H<1>}	119.5800	0.165	2	119.2476	0.581	5	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	117.9950	0.000	1	119.2476	0.581	5	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	119.5415	0.576	2	119.2476	0.581	5	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	118.6210	0.000	1	118.9688	0.157	26	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	118.9773	0.464	16	118.9688	0.157	26	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	119.0045	0.019	2	118.9688	0.157	26	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	119.1130	0.000	1	118.9688	0.157	26	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	118.7740	0.000	1	118.9688	0.157	26	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	119.1700	0.049	2	118.9688	0.157	26	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	119.2140	0.000	1	118.9688	0.157	26	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	119.1040	0.000	1	118.9688	0.157	26	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	118.3780	0.000	1	118.9688	0.157	26	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]N){1|C<4>,2|C<3>,2|H<1>}	118.5040	0.000	1	118.5040	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<4>,2|C<3>,2|H<1>}	119.7680	0.000	1	120.1890	0.354	2	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<4>,2|C<3>,2|H<1>}	120.6100	0.000	1	120.1890	0.354	2	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	119.2010	0.218	2	119.3750	0.217	4	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	120.0400	0.000	1	119.3750	0.217	4	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	119.0580	0.000	1	119.3750	0.217	4	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	119.0430	0.021	2	119.0276	0.182	14	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|P<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	118.9500	0.000	1	119.0276	0.182	14	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	118.9630	0.000	1	119.0276	0.182	14	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	119.1760	0.523	6	119.0276	0.182	14	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	118.8330	0.486	4	119.0276	0.182	14	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]S)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|S<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]S)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	117.4670	0.000	1	117.4670	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	119.0535	0.114	2	118.8837	0.093	3	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|F<1>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	118.5440	0.000	1	118.8837	0.093	3	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|F<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	119.0403	0.180	3	119.0421	0.054	7	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|F<1>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	119.0600	0.000	1	119.0421	0.054	7	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|F<1>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	119.0380	0.359	3	119.0421	0.054	7	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	120.6750	0.000	1	120.6750	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	119.1240	0.000	1	119.1240	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	119.5890	0.730	2	119.4257	0.227	4	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C){2|H<1>,3|C<3>}	119.2625	0.204	2	119.4257	0.227	4	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|S<2>,2|C<3>,2|H<1>}	118.0850	0.000	1	118.6611	0.199	10	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	118.4310	0.246	3	118.6611	0.199	10	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	119.1000	0.000	1	118.6611	0.199	10	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	119.0333	0.514	3	118.6611	0.199	10	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	118.4870	0.000	1	118.6611	0.199	10	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H){2|H<1>,3|C<3>}	118.5460	0.000	1	118.6611	0.199	10	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Cl)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Cl)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	118.8320	0.000	1	118.8320	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|F<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	119.4850	0.000	1	119.4850	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]C[5a]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]C[5a]N){1|C<4>,2|C<3>,2|H<1>}	118.7500	0.000	1	118.7500	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Ir<6>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|Ir<6>,1|N<3>,2|H<1>,3|C<3>}	119.1700	0.000	1	119.1700	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]B)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|B<3>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]B){1|C<3>,1|C<4>,3|H<1>}	118.4560	0.000	1	118.4560	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	118.7500	0.247	2	118.8555	0.422	256	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|B<4>,2|C<3>,2|H<1>}	116.4530	0.000	1	118.8555	0.422	256	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	119.3755	0.050	2	118.8555	0.422	256	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<2>,2|C<3>,2|H<1>}	119.0660	0.000	1	118.8555	0.422	256	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	118.4245	0.005	2	118.8555	0.422	256	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|N<2>,2|C<3>,2|H<1>}	118.8810	0.000	1	118.8555	0.422	256	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	119.7255	0.788	2	118.8555	0.422	256	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	119.1273	0.097	3	118.8555	0.422	256	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	118.5983	0.457	48	118.8555	0.422	256	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	118.7415	0.510	65	118.8555	0.422	256	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	118.7080	0.581	22	118.8555	0.422	256	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	118.7325	0.410	15	118.8555	0.422	256	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>,3|C<4>}	118.6570	0.000	1	118.8555	0.422	256	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<2>,2|C<3>,2|H<1>}	119.3060	0.000	1	118.8555	0.422	256	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	119.0690	0.449	3	118.8555	0.422	256	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	119.0995	0.419	17	118.8555	0.422	256	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	118.4660	0.000	1	118.8555	0.422	256	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	120.0780	1.179	4	118.8555	0.422	256	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|H<1>,3|C<3>}	118.8469	0.512	15	118.8555	0.422	256	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Ir<8>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Ir<8>,2|C<3>,2|H<1>}	117.4700	0.804	3	118.8555	0.422	256	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	119.7090	0.173	2	118.8555	0.422	256	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Pd<4>,2|C<3>,2|H<1>}	118.3790	1.729	3	118.8555	0.422	256	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Pd<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Pd<4>,2|C<3>,2|H<1>}	119.2030	0.000	1	118.8555	0.422	256	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Rh<8>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Rh<8>,2|C<3>,2|H<1>}	118.1190	0.000	1	118.8555	0.422	256	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	118.7885	0.255	2	118.8555	0.422	256	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	119.3576	0.842	16	118.8555	0.422	256	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	119.3002	0.215	10	118.8555	0.422	256	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<2>,2|C<3>,2|H<1>}	120.0840	0.000	1	118.8555	0.422	256	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	119.2903	0.486	7	118.8555	0.422	256	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|H<1>,3|C<3>}	119.5360	0.161	4	118.8555	0.422	256	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	118.9730	0.000	1	118.6882	0.383	571	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	119.1220	0.000	1	118.6882	0.383	571	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	118.7448	0.573	83	118.6882	0.383	571	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	118.6670	0.047	2	118.6882	0.383	571	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	118.1905	0.709	11	118.6882	0.383	571	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>,3|C<4>}	118.1575	0.501	2	118.6882	0.383	571	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<2>,1|C<3>,1|N<2>,2|H<1>}	119.2590	0.000	1	118.6882	0.383	571	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|N<2>,2|C<3>,2|H<1>}	118.2700	0.000	1	118.6882	0.383	571	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	118.8740	0.685	3	118.6882	0.383	571	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|P<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|P<3>,2|H<1>}	119.0826	0.441	5	118.6882	0.383	571	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|P<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	118.8778	0.617	6	118.6882	0.383	571	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|S<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|S<3>,2|H<1>}	118.1070	0.000	1	118.6882	0.383	571	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|S<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	117.7035	0.323	2	118.6882	0.383	571	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	118.8283	0.446	3	118.6882	0.383	571	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Br<1>,2|C<3>,2|H<1>}	118.8110	0.000	1	118.6882	0.383	571	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<2>,2|C<3>,2|H<1>}	118.4610	0.000	1	118.6882	0.383	571	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	118.7396	0.588	235	118.6882	0.383	571	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	117.3370	0.000	1	118.6882	0.383	571	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	118.8620	0.000	1	118.6882	0.383	571	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	118.1980	0.399	3	118.6882	0.383	571	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|F<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|F<1>,2|C<3>,2|H<1>}	118.9710	0.000	1	118.6882	0.383	571	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	118.6920	0.451	107	118.6882	0.383	571	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	117.2430	0.000	1	118.6882	0.383	571	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Pd<4>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	119.2422	0.160	4	118.6882	0.383	571	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Pd<4>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Pd<4>,2|C<3>,2|H<1>}	119.2070	0.000	1	118.6882	0.383	571	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Se<2>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	118.7110	0.000	1	118.6882	0.383	571	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<2>,2|C<3>,2|H<1>}	119.5160	0.000	1	118.6882	0.383	571	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	118.4657	0.771	63	118.6882	0.383	571	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	119.0950	0.033	2	118.6882	0.383	571	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>,3|C<3>}	118.2260	0.000	1	118.6882	0.383	571	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	118.8224	0.963	23	118.6882	0.383	571	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|H<1>,1|O<2>,3|C<3>}	117.4400	0.000	1	118.6882	0.383	571	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|H<1>,2|C<3>,2|C<4>}	117.8400	0.000	1	118.6882	0.383	571	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]N){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	119.3615	0.084	2	119.3615	0.007	2	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]O){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	118.1240	0.000	1	117.9780	0.043	2	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]O){2|H<1>,3|C<3>}	117.8320	0.000	1	117.9780	0.043	2	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P){1|C<3>,2|C<4>,2|H<1>}	118.9433	0.753	3	119.6183	0.258	23	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|P<3>,1|P<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	120.2280	0.000	1	119.6183	0.258	23	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|P<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	119.6928	0.387	19	119.6183	0.258	23	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	120.0800	0.000	1	119.4032	0.516	110	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	120.0595	0.270	4	119.4032	0.516	110	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	119.5400	0.000	1	119.4032	0.516	110	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,2|C<4>,2|H<1>}	119.7132	0.509	26	119.4032	0.516	110	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<4>,2|C<3>,2|H<1>}	119.2625	0.539	29	119.4032	0.516	110	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|S<2>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	119.5640	0.000	1	119.4032	0.516	110	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|S<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<2>,1|C<3>,3|H<1>}	119.9590	0.000	1	119.4032	0.516	110	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|S<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,3|H<1>}	118.8306	0.630	7	119.4032	0.516	110	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|S<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){2|C<3>,3|H<1>}	118.7945	1.189	13	119.4032	0.516	110	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<2>,2|C<3>,2|H<1>}	120.1185	0.192	2	119.4032	0.516	110	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<4>,2|C<3>,2|H<1>}	119.4848	0.656	12	119.4032	0.516	110	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){2|H<1>,3|C<3>}	119.5708	0.544	11	119.4032	0.516	110	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|H<1>,1|O<2>,3|C<3>}	118.9160	0.000	1	119.4032	0.516	110	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|H<1>,2|C<3>,2|C<4>}	119.4160	0.000	1	119.4032	0.516	110	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	119.3225	0.445	6	119.3225	0.198	6	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]P)(N[5a]C[5a]P)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|P<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]P)(N[5a]C[5a]P){1|C<3>,1|C<4>,3|H<1>}	119.9490	0.000	1	119.9490	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|I<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	118.8050	0.000	1	118.8050	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|I<1>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	118.8250	0.000	1	118.8250	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	119.4170	1.216	5	119.3703	1.196	6	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	119.1370	0.000	1	119.3703	1.196	6	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	118.9215	0.322	2	119.0180	0.080	3	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	119.2110	0.000	1	119.0180	0.080	3	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]O){2|C<3>,3|H<1>}	118.7360	0.000	1	118.7360	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	119.4015	0.580	8	119.8565	0.569	48	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	119.3708	0.355	9	119.8565	0.569	48	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	119.7040	0.000	1	119.8565	0.569	48	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>,3|C<4>}	118.6160	0.000	1	119.8565	0.569	48	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	120.5295	0.762	15	119.8565	0.569	48	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	119.7454	0.399	12	119.8565	0.569	48	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	120.1770	1.013	2	119.8565	0.569	48	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	119.3984	0.341	8	119.5106	0.264	55	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|S<2>,2|C<3>,2|H<1>}	118.6130	0.000	1	119.5106	0.264	55	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	119.5946	0.435	38	119.5106	0.264	55	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	119.1665	0.743	4	119.5106	0.264	55	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	119.6055	1.650	2	119.5106	0.264	55	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	118.9600	0.000	1	119.5106	0.264	55	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	119.8530	0.000	1	119.5106	0.264	55	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]N){1|C<3>,1|C<4>,3|H<1>}	120.2900	0.000	1	120.2900	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,1|S<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<4>,2|C<3>,2|H<1>}	120.6030	0.107	2	120.4706	0.168	5	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,1|S<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	119.7770	0.000	1	120.4706	0.168	5	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,3|H<1>}	120.6850	0.229	2	120.4706	0.168	5	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]S)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]S)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	119.1000	0.000	1	119.1000	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Se)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Se)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	118.9850	0.000	1	118.9850	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[3])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[3])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	120.5770	0.000	1	120.5770	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[4])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[4])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	117.6880	0.000	1	117.6880	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[4])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[4])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,3|H<1>}	119.2395	0.233	4	119.2395	0.054	4	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	119.9660	0.900	3	119.6173	0.892	6	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	119.7775	0.746	2	119.6173	0.892	6	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	118.2510	0.000	1	119.6173	0.892	6	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	119.1180	0.000	1	119.2720	0.171	3	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	119.7400	0.000	1	119.2720	0.171	3	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	118.9580	0.000	1	119.2720	0.171	3	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<2>,1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	118.6840	0.000	1	118.6893	0.022	3	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	118.6920	0.211	2	118.6893	0.022	3	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|F<1>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	119.4950	0.000	1	119.4950	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|F<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	119.6330	0.000	1	119.6330	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	118.3540	0.000	1	118.6871	0.326	57	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	118.6262	0.194	8	118.6871	0.326	57	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	119.0020	0.182	4	118.6871	0.326	57	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	118.0930	0.000	1	118.6871	0.326	57	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	118.0230	0.000	1	118.6871	0.326	57	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|H<1>,3|C<3>}	118.5100	0.000	1	118.6871	0.326	57	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	117.8420	0.000	1	118.6871	0.326	57	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	119.2640	0.000	1	118.6871	0.326	57	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	118.5465	0.305	2	118.6871	0.326	57	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|H<1>,3|C<3>}	119.7180	0.000	1	118.6871	0.326	57	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	118.5947	0.557	12	118.6871	0.326	57	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	118.0885	0.114	2	118.6871	0.326	57	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	120.1920	0.000	1	118.6871	0.326	57	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|N<4>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	120.0940	0.000	1	118.6871	0.326	57	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	118.6953	0.592	6	118.6871	0.326	57	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	118.7245	0.103	2	118.6871	0.326	57	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	118.4740	0.400	3	118.6871	0.326	57	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	118.6727	0.449	3	118.6871	0.326	57	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	118.7643	0.794	6	118.6871	0.326	57	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<2>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	118.7250	0.000	1	118.4135	0.404	98	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	118.7560	0.263	2	118.4135	0.404	98	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	118.5057	0.428	3	118.4135	0.404	98	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	118.0100	0.393	2	118.4135	0.404	98	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<4>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	119.4608	0.172	4	118.4135	0.404	98	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	118.7205	0.489	4	118.4135	0.404	98	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,2|N<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	118.1330	0.000	1	118.4135	0.404	98	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	117.8685	0.098	2	118.4135	0.404	98	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	119.2350	0.000	2	118.4135	0.404	98	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	117.1815	0.327	2	118.4135	0.404	98	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	118.4670	0.000	1	118.4135	0.404	98	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|F<1>,2|H<1>}	118.3120	0.000	1	118.4135	0.404	98	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	118.3884	0.471	8	118.4135	0.404	98	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	117.7536	0.546	10	118.4135	0.404	98	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	118.2660	0.000	1	118.4135	0.404	98	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	118.6560	0.149	3	118.4135	0.404	98	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	117.9620	0.000	1	118.4135	0.404	98	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	118.4320	0.000	1	118.4135	0.404	98	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	118.3291	0.411	8	118.4135	0.404	98	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	118.3690	0.448	2	118.4135	0.404	98	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	118.8308	0.246	5	118.4135	0.404	98	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	118.5993	0.213	3	118.4135	0.404	98	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	118.8850	0.000	1	118.4135	0.404	98	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|S<2>,3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	118.2470	0.000	1	118.4135	0.404	98	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	118.2253	0.363	4	118.4135	0.404	98	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	117.9600	0.000	1	118.4135	0.404	98	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	116.3260	0.000	1	118.4135	0.404	98	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	118.4007	0.796	9	118.4135	0.404	98	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	118.9730	0.000	1	118.4135	0.404	98	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	119.3985	0.926	2	118.4135	0.404	98	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	118.5687	0.402	11	118.4135	0.404	98	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|Br<1>,1|S<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	118.7720	0.000	1	119.0570	0.903	8	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,3|H<1>}	120.0830	0.000	1	119.0570	0.903	8	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,3|H<1>}	118.5020	0.000	1	119.0570	0.903	8	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,2|C<4>,2|H<1>}	119.9160	0.006	2	119.0570	0.903	8	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|H<1>,3|C<4>}	119.4140	0.000	1	119.0570	0.903	8	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|S<4>,3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,3|H<1>}	118.5260	0.000	1	119.0570	0.903	8	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|S<4>,3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,3|H<1>}	117.3270	0.000	1	119.0570	0.903	8	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|I<1>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	119.7490	0.000	1	119.7490	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	119.4280	0.122	3	119.4280	0.015	3	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	119.6850	0.000	1	119.4105	0.151	2	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	119.1360	0.000	1	119.4105	0.151	2	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	119.1160	0.000	1	119.0505	0.410	6	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	119.2860	0.000	1	119.0505	0.410	6	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	120.1680	0.000	1	119.0505	0.410	6	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	118.7100	0.000	1	119.0505	0.410	6	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|Br<1>,3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	118.5115	0.209	2	119.0505	0.410	6	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,3|H<1>}	118.5590	0.417	2	118.5590	0.174	2	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	118.3740	0.000	1	118.3740	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|Cl<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	119.1580	0.177	2	119.1580	0.031	2	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	119.0420	0.000	1	119.0420	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	117.4430	0.000	1	117.4430	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	118.7650	0.000	1	118.7449	0.294	14	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|F<1>,2|H<1>}	119.3100	0.000	1	118.7449	0.294	14	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	118.7895	0.839	2	118.7449	0.294	14	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	119.2420	0.000	1	118.7449	0.294	14	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	119.2400	0.000	1	118.7449	0.294	14	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	118.4635	0.214	2	118.7449	0.294	14	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	118.6980	0.320	4	118.7449	0.294	14	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	119.1140	0.000	1	118.7449	0.294	14	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	117.4600	0.000	1	118.7449	0.294	14	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	118.6390	0.000	1	118.6925	0.422	40	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	119.1150	0.000	1	118.6925	0.422	40	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	119.4940	0.000	1	118.6925	0.422	40	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	118.5503	0.293	4	118.6925	0.422	40	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	117.7260	0.000	1	118.6925	0.422	40	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	119.2430	0.000	1	118.6925	0.422	40	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	119.0270	0.710	8	118.6925	0.422	40	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	119.4860	0.677	3	118.6925	0.422	40	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	118.7030	0.027	2	118.6925	0.422	40	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	118.0095	0.744	4	118.6925	0.422	40	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	118.4325	0.331	6	118.6925	0.422	40	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	118.8880	0.000	1	118.6925	0.422	40	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	118.0510	0.000	1	118.6925	0.422	40	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	119.3650	0.000	1	118.6925	0.422	40	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	118.9430	0.341	2	118.6925	0.422	40	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){3|C<3>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	118.1257	0.352	3	118.6925	0.422	40	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,1|S<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,3|H<1>}	119.9855	0.074	2	119.1629	0.513	7	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|S<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,3|H<1>}	119.3815	0.364	2	119.1629	0.513	7	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,3|H<1>}	118.4280	0.000	1	119.1629	0.513	7	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,3|H<1>}	118.3450	0.000	1	119.1629	0.513	7	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,3|H<1>}	118.6330	0.000	1	119.1629	0.513	7	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){2|C<3>,2|N<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	118.8680	0.000	1	118.8680	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	118.8930	0.000	1	119.0675	0.061	2	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	119.2420	0.000	1	119.0675	0.061	2	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|N<3>,2|C<3>,2|H<1>}	118.9600	0.222	2	119.0793	0.071	4	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|Br<1>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	118.9670	0.000	1	119.0793	0.071	4	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|Br<1>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	119.4300	0.000	1	119.0793	0.071	4	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Cl)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|Cl<1>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Cl)(N[5a]C[5a]H){2|H<1>,3|C<3>}	119.6260	0.000	1	119.6260	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|F<1>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	119.3022	0.410	5	119.3022	0.168	5	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]C){1|H<1>,1|O<2>,5|C<3>}	118.4110	0.000	1	118.4110	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C){1|N<3>,2|C<3>,2|H<1>}	119.6780	0.000	1	119.6780	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2){2|H<1>,5|C<3>}	118.1130	0.000	1	118.1130	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]B)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|B<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]B){2|C<3>,3|H<1>}	119.7870	0.000	1	119.7870	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	118.1102	0.435	5	118.7996	0.641	34	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|N<3>,2|C<3>,2|H<1>}	118.9043	0.035	4	118.7996	0.641	34	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|P<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|P<4>,2|C<3>,2|H<1>}	119.7860	0.000	1	118.7996	0.641	34	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|H<1>,3|C<3>}	119.1470	0.000	1	118.7996	0.641	34	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|H<1>,3|C<3>}	119.3963	0.526	7	118.7996	0.641	34	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|H<1>,4|C<3>}	118.6740	0.000	1	118.7996	0.641	34	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	117.9126	0.522	7	118.7996	0.641	34	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	119.0090	0.000	1	118.7996	0.641	34	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|H<1>,3|C<3>}	119.2525	0.832	6	118.7996	0.641	34	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	119.7240	0.000	1	118.7996	0.641	34	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	119.0330	0.000	1	118.5573	0.232	40	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	118.8050	0.000	1	118.5573	0.232	40	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	118.5438	0.500	9	118.5573	0.232	40	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Br<1>,2|C<3>,2|H<1>}	118.0850	0.000	1	118.5573	0.232	40	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	118.3494	0.339	17	118.5573	0.232	40	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	119.1610	0.000	1	118.5573	0.232	40	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	118.5363	0.256	6	118.5573	0.232	40	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	119.2895	0.614	4	118.5573	0.232	40	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]N){2|H<1>,3|C<3>}	118.1700	0.000	1	118.1700	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<4>,2|C<3>,2|H<1>}	119.5560	0.074	3	119.2643	0.305	12	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,1|S<4>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){2|C<3>,3|H<1>}	118.6010	0.000	1	119.2643	0.305	12	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,1|S<4>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){2|C<3>,3|H<1>}	118.3440	0.000	1	119.2643	0.305	12	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|N<3>,2|C<3>,2|H<1>}	118.7970	0.494	2	119.2643	0.305	12	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){2|H<1>,3|C<3>}	119.7057	0.329	4	119.2643	0.305	12	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){2|C<3>,3|H<1>}	119.1420	0.000	1	119.2643	0.305	12	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]C[5a]H){2|H<1>,3|C<3>}	118.9080	0.000	1	118.9080	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,1|P<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|P<4>,2|C<3>,2|H<1>}	120.3240	0.000	1	119.9860	0.105	3	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	119.6780	0.000	1	119.9860	0.105	3	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	119.9560	0.000	1	119.9860	0.105	3	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	118.5660	0.000	1	118.5660	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|Cl<1>,2|C<3>,2|H<1>}	119.3880	0.000	1	119.3880	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a]C[6a])(H){1|N<3>,1|S<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,4|H<1>}	118.4280	0.000	1	118.4280	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a]C[6a])(H){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,4|H<1>}	118.4030	0.000	1	118.4030	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	119.1850	0.000	1	119.1850	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,4|H<1>}	119.1340	0.000	1	119.1340	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Br<1>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Br<1>,1|C<3>,3|H<1>}	119.3000	0.000	1	119.0725	0.104	2	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	118.8450	0.000	1	119.0725	0.104	2	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]P)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,1|P<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]P){3|C<3>,4|H<1>}	121.5140	0.000	1	121.5140	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]P)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|P<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]P){1|C<3>,4|H<1>}	121.2080	0.000	1	121.2080	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,4|H<1>}	118.9980	0.000	1	118.6960	0.119	5	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	118.1090	0.000	1	118.6960	0.119	5	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,4|H<1>}	118.7910	0.082	3	118.6960	0.119	5	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,4|H<1>}	118.6130	0.000	1	118.9846	0.091	5	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	119.0530	0.000	1	118.9846	0.091	5	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	118.8330	0.000	1	118.9846	0.091	5	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,4|H<1>}	119.2120	0.307	2	118.9846	0.091	5	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){2|C<3>,3|H<1>}	120.1393	1.917	3	120.1393	3.677	3	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]H){2|C<3>,3|H<1>}	119.3920	0.000	1	119.3920	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[5])(H){2|C<3>,2|H<1>,3|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,4|H<1>}	119.0850	0.000	1	119.0850	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[6])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[6])(H){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,4|H<1>}	118.9775	0.057	2	118.9775	0.003	2	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Cl<1>,1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Si<4>,1|C<3>,3|H<1>}	119.1375	0.152	4	119.1375	0.023	4	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	119.2667	0.174	3	119.2667	0.030	3	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,4|H<1>}	119.1390	0.000	1	119.1390	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|F<1>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]C){3|C<3>,4|H<1>}	120.2260	0.000	1	120.2260	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]P)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|F<1>,1|H<1>,1|P<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]P){1|C<3>,4|H<1>}	121.3980	0.000	1	121.3980	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|F<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	119.5295	0.231	2	119.5295	0.053	2	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]C){1|B<3>,3|C<3>,3|H<1>}	119.2170	0.000	1	119.4530	0.248	13	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]C){3|H<1>,4|C<3>}	117.9450	0.000	1	119.4530	0.248	13	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]C){3|C<3>,4|H<1>}	119.6115	0.193	11	119.4530	0.248	13	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,3|C<3>,3|H<1>}	118.8560	0.000	1	119.0170	0.029	3	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H){3|C<3>,4|H<1>}	119.0975	0.138	2	119.0170	0.029	3	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]P)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]P){3|C<3>,4|H<1>}	120.8055	0.291	4	120.8055	0.085	4	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]B)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|B<3>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]B){1|C<3>,4|H<1>}	120.8630	0.000	1	120.8630	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C){1|C<3>,1|N<3>,3|H<1>}	119.9180	0.081	2	120.2795	0.221	4	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C){1|C<3>,4|H<1>}	120.9000	0.000	1	120.2795	0.221	4	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C){1|C<3>,4|H<1>}	120.3820	0.000	1	120.2795	0.221	4	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<3>,1|O<2>,3|H<1>}	118.3800	0.000	1	118.8750	0.207	5	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<3>,4|H<1>}	118.9988	0.417	4	118.8750	0.207	5	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]P)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]P){1|C<3>,4|H<1>}	121.4340	0.000	1	121.4340	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|S<2>,2|C<3>,4|H<1>}	118.8140	0.237	3	118.8924	0.091	5	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<3>,3|C<3>,3|H<1>}	119.0100	0.454	2	118.8924	0.091	5	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]B)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|B<3>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]B){1|C<3>,1|C<4>,3|H<1>}	119.9490	0.000	1	119.3550	0.477	3	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]B)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|B<3>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]B){1|C<3>,4|H<1>}	119.5190	0.000	1	119.3550	0.477	3	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]B)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|B<4>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]B){1|C<3>,4|H<1>}	118.5970	0.000	1	119.3550	0.477	3	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	118.1640	0.000	1	118.9326	0.424	74	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,3|H<1>}	118.5990	0.334	2	118.9326	0.424	74	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|P<4>,3|H<1>}	119.1530	0.000	1	118.9326	0.424	74	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	118.3660	0.559	2	118.9326	0.424	74	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	119.1050	0.150	2	118.9326	0.424	74	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,4|H<1>}	119.1302	1.626	6	118.9326	0.424	74	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	118.8624	0.331	8	118.9326	0.424	74	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	119.7571	0.569	8	118.9326	0.424	74	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	118.7821	0.327	23	118.9326	0.424	74	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Ir<8>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Ir<8>,1|C<3>,3|H<1>}	119.1330	0.000	1	118.9326	0.424	74	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Pd<4>,1|C<3>,3|H<1>}	118.5835	0.011	2	118.9326	0.424	74	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Si<4>,1|C<2>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Si<4>,1|C<3>,3|H<1>}	118.4660	0.120	2	118.9326	0.424	74	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Si<4>,1|C<3>,3|H<1>}	119.0600	0.349	2	118.9326	0.424	74	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,4|H<1>}	118.9549	0.454	8	118.9326	0.424	74	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	118.8063	0.574	6	118.9326	0.424	74	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	118.9270	0.397	2	118.8014	0.660	59	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	118.6080	0.213	3	118.8014	0.660	59	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|N<3>,3|H<1>}	118.5733	0.539	3	118.8014	0.660	59	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|N<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|N<4>,3|H<1>}	121.5130	0.610	3	118.8014	0.660	59	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|S<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|S<2>,3|H<1>}	118.0770	0.000	1	118.8014	0.660	59	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	117.9045	0.374	2	118.8014	0.660	59	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,4|H<1>}	118.5820	0.000	1	118.8014	0.660	59	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	118.7590	0.741	4	118.8014	0.660	59	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	118.6960	0.505	40	118.8014	0.660	59	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]N){1|C<3>,4|H<1>}	119.0880	0.000	1	118.6995	0.302	2	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]N){2|C<3>,3|H<1>}	118.3110	0.000	1	118.6995	0.302	2	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|P<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P){2|C<3>,3|H<1>}	119.6487	0.311	3	119.3258	0.195	19	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|P<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P){1|C<3>,4|H<1>}	119.0078	0.327	8	119.3258	0.195	19	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|P<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P){2|C<3>,3|H<1>}	119.1993	0.182	4	119.3258	0.195	19	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P){2|C<3>,3|H<1>}	119.8465	0.261	4	119.3258	0.195	19	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,3|H<1>}	119.6018	0.399	10	119.3483	0.521	20	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|N<3>,3|H<1>}	119.8970	0.000	1	119.3483	0.521	20	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|S<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,3|H<1>}	117.8960	0.211	2	119.3483	0.521	20	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|S<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|N<3>,3|H<1>}	118.1210	0.000	1	119.3483	0.521	20	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){2|C<3>,3|H<1>}	119.5228	0.560	6	119.3483	0.521	20	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]C){1|C<3>,4|H<1>}	121.1555	0.033	2	121.1555	0.001	2	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]H){1|C<3>,4|H<1>}	119.0773	0.983	17	118.9521	1.041	27	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]H){2|C<3>,3|H<1>}	118.7393	1.100	10	118.9521	1.041	27	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]C[5a]C){1|C<3>,4|H<1>}	121.0065	0.052	2	121.0065	0.003	2	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	118.3090	0.000	1	118.3090	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]P)(N[5a]C[5a]P)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|P<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]P)(N[5a]C[5a]P){1|C<3>,4|H<1>}	119.5835	0.279	2	122.1087	19.168	3	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]P)(N[5a]C[5a]P)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|P<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]P)(N[5a]C[5a]P){1|C<3>,4|H<1>}	127.1590	0.000	1	122.1087	19.168	3	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,4|H<1>}	119.4570	0.000	1	119.4570	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,4|H<1>}	119.2253	0.388	3	119.2253	0.150	3	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){2|C<3>,3|H<1>}	119.2840	0.000	1	119.2840	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,4|H<1>}	120.5350	0.404	3	120.3265	0.283	4	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Si<4>,1|C<3>,3|H<1>}	119.7010	0.000	1	120.3265	0.283	4	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	119.4590	0.000	1	119.5136	0.283	9	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|O<2>,2|C<3>,2|H<1>}	118.7990	0.000	1	119.5136	0.283	9	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	119.6234	0.526	7	119.5136	0.283	9	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	118.6440	0.000	1	118.6440	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|I<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<2>,1|C<3>,1|I<1>,2|H<1>}	118.9010	0.000	1	118.9010	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|I<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|I<1>,2|H<1>}	119.1320	0.000	1	119.6063	0.219	3	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|I<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|I<2>,2|H<1>}	119.8435	0.317	2	119.6063	0.219	3	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|I<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|I<1>,1|N<3>,2|H<1>}	118.6230	0.000	1	118.6230	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|I<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,1|I<1>,2|H<1>}	120.1190	0.000	1	120.3505	0.107	2	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H){1|C<3>,1|I<1>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|I<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,2|H<1>,2|I<1>}	120.5820	0.000	1	120.3505	0.107	2	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|F<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|N<3>,2|C<3>,2|H<1>}	118.3750	0.000	1	118.3750	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C){1|C<3>,2|H<1>,2|N<2>}	121.6587	0.565	4	121.6587	0.319	4	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|H<1>,2|N<2>}	120.3160	0.095	2	119.4001	0.492	20	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	119.3490	0.000	1	119.4001	0.492	20	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	120.4920	0.000	1	119.4001	0.492	20	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|H<1>,2|N<3>}	119.1260	0.000	1	119.4001	0.492	20	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	120.6910	0.000	1	119.4001	0.492	20	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<2>,3|H<1>}	118.8890	0.000	1	119.4001	0.492	20	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,3|H<1>}	119.3270	0.000	1	119.4001	0.492	20	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	118.8470	0.515	6	119.4001	0.492	20	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|N<2>,2|C<3>,2|H<1>}	119.2362	0.345	5	119.4001	0.492	20	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,3|H<1>}	120.2320	0.000	1	119.4001	0.492	20	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,1|S<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|N<3>,1|S<4>,2|H<1>}	118.6790	0.000	2	119.1103	0.557	23	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|N<2>,3|H<1>}	119.0427	0.203	4	119.1103	0.557	23	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|N<2>,2|C<3>,2|H<1>}	118.7860	0.861	9	119.1103	0.557	23	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|N<3>,2|C<3>,2|H<1>}	119.6169	0.633	8	119.1103	0.557	23	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,1|S<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|N<3>,3|H<1>}	119.7400	0.000	1	120.2567	0.355	3	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|N<3>,2|C<3>,2|H<1>}	120.5150	0.556	2	120.2567	0.355	3	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	119.5440	0.000	1	119.5440	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|H<1>,2|N<3>}	119.7300	0.000	1	119.7300	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|N<3>,3|H<1>}	119.9640	0.000	1	119.9640	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){2|C<3>,2|H<1>}	119.0850	0.000	1	119.0850	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,3|H<1>}	119.1715	0.534	2	119.1715	0.285	2	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|N<3>,3|H<1>}	119.2260	0.000	1	119.2260	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|O<2>,2|C<3>,2|H<1>}	119.4085	0.053	2	119.4085	0.003	2	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.0750	0.000	1	120.0758	0.139	5	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|O<2>,2|C<3>,2|H<1>}	120.0760	0.431	4	120.0758	0.139	5	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<2>,3|H<1>}	121.3300	0.000	1	121.3300	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]P)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]P)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	118.3370	0.000	1	118.2210	0.128	3	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]P)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]P)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|P<4>,3|H<1>}	117.8200	0.000	1	118.2210	0.128	3	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]P)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]P)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|P<4>,2|C<3>,2|H<1>}	118.5060	0.000	1	118.2210	0.128	3	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]P)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]P)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|P<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|P<4>,2|C<3>,2|H<1>}	120.1880	0.000	1	120.1880	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|S<2>,2|C<3>,2|H<1>}	120.2785	0.059	2	120.2785	0.003	2	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<3>,1|S<2>,3|H<1>}	119.6470	0.000	1	119.6470	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	119.1200	0.274	2	119.0795	0.053	6	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|S<2>,3|H<1>}	119.2170	0.273	2	119.0795	0.053	6	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	118.8320	0.000	1	119.0795	0.053	6	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|S<3>,2|H<1>}	118.9710	0.000	1	119.0795	0.053	6	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|S<3>,2|H<1>}	118.6025	0.445	2	119.1763	0.301	20	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	118.9310	0.298	2	119.1763	0.301	20	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|N<3>,1|S<4>,2|H<1>}	119.7005	0.817	2	119.1763	0.301	20	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|S<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|H<1>,2|S<2>}	119.3060	0.000	1	119.1763	0.301	20	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,1|S<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Cl<1>,1|C<3>,1|S<3>,2|H<1>}	118.0150	0.000	1	119.1763	0.301	20	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|S<2>,3|H<1>}	119.4614	0.364	7	119.1763	0.301	20	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|S<4>,3|H<1>}	119.1710	0.341	2	119.1763	0.301	20	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|S<2>,2|C<3>,2|H<1>}	119.3370	0.260	2	119.1763	0.301	20	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|S<4>,2|C<3>,2|H<1>}	118.4910	0.000	1	119.1763	0.301	20	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	119.9041	0.265	8	120.0156	0.231	12	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	120.1990	0.000	1	120.0156	0.231	12	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|S<2>,2|C<3>,2|H<1>}	120.2517	0.936	3	120.0156	0.231	12	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]H){1|S<2>,2|C<3>,2|H<1>}	120.3520	0.000	1	120.3520	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|S<2>,3|H<1>}	120.4090	0.000	1	120.4090	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Se)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Se)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|Se<2>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Se<2>,1|C<3>,3|H<1>}	119.6230	0.000	1	119.6230	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Se)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Se)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Se<2>,1|C<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Se<2>,1|C<2>,1|C<3>,2|H<1>}	119.2480	0.000	1	119.2480	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Se)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Se)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|Se<2>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Se<2>,1|C<3>,3|H<1>}	120.5390	0.000	1	120.5390	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Si)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Si)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Si<4>,1|C<3>,3|H<1>}	118.4709	0.309	7	118.4709	0.095	7	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6,6]C[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6,6]C[5a])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	119.2535	0.260	2	119.2535	0.067	2	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6,6]C[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6,6]C[5a])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,3|H<1>}	118.6100	0.000	1	118.6100	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|Cl<1>,1|H<1>,2|C<3>}	119.2490	0.000	1	119.2490	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|H<1>,1|N<3>,2|C<3>}	118.6280	0.000	1	118.6280	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){2|C<3>,2|H<1>}	119.1965	0.695	2	119.1965	0.483	2	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Br)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Br)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|Br<1>,1|C<3>,1|H<1>,1|N<3>}	120.4623	1.237	3	120.6718	0.848	5	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Br)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Br)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|Br<1>,1|C<3>,1|H<1>,1|N<3>}	120.9860	0.025	2	120.6718	0.848	5	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Br)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Br)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|Br<1>,1|C<3>,2|H<1>}	120.7960	0.000	1	120.7960	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|C<4>,2|H<1>}	120.1950	0.375	2	119.5382	0.194	28	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	118.6470	0.000	1	119.5382	0.194	28	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){2|C<3>,2|H<1>}	119.5087	0.292	21	119.5382	0.194	28	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|H<1>,1|O<2>,2|C<3>}	119.0935	0.620	2	119.5382	0.194	28	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|C<4>,2|H<1>}	119.6680	0.000	1	119.5382	0.194	28	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){2|C<3>,2|H<1>}	120.4960	0.000	1	119.5382	0.194	28	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|C<3>,1|C<4>,2|H<1>}	119.6777	0.199	3	119.8523	0.880	10	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H){2|C<3>,2|H<1>}	119.3683	0.647	3	119.8523	0.880	10	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|H<1>,1|S<2>,2|C<3>}	119.3515	0.839	2	119.8523	0.880	10	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|H<1>,1|N<3>,2|C<3>}	121.3410	0.758	2	119.8523	0.880	10	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]N[5a]C){2|C<3>,2|H<1>}	120.8110	0.000	1	120.8110	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){2|C<3>,2|H<1>}	120.0420	0.000	1	120.0420	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|C<4>,2|H<1>}	120.6020	0.300	2	120.6020	0.090	2	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|Cl<1>,1|C<3>,2|H<1>}	121.0370	0.000	1	121.0370	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	120.1393	0.529	3	120.1547	0.188	4	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	120.2010	0.000	1	120.1547	0.188	4	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|Cl<1>,1|C<3>,2|H<1>}	120.8692	0.508	5	120.8692	0.258	5	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|Cl<1>,1|C<3>,2|H<1>}	120.7190	0.000	1	120.7190	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]N[5a]H){1|C<3>,3|H<1>}	119.5880	0.000	1	119.8713	0.118	3	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]N[5a]H){1|C<3>,3|H<1>}	120.0130	0.341	2	119.8713	0.118	3	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|N<3>,2|H<1>}	119.6742	0.137	5	119.8959	0.269	17	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,3|H<1>}	119.5667	0.332	3	119.8959	0.269	17	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|N<3>,2|H<1>}	119.7475	1.020	2	119.8959	0.269	17	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,3|H<1>}	120.2475	0.553	6	119.8959	0.269	17	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){2|C<3>,2|H<1>}	120.1800	0.000	1	119.8959	0.269	17	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|C<3>,3|H<1>}	119.4690	0.000	1	119.4690	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]S){1|C<3>,1|N<3>,2|H<1>}	119.6150	0.000	1	119.6150	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]N[5a]C){1|C<3>,3|H<1>}	120.6845	0.032	2	120.6845	0.001	2	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]N[5a]H){1|C<3>,3|H<1>}	120.3390	0.042	2	120.3390	0.002	2	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,3|H<1>}	120.0091	0.412	9	120.0965	0.227	10	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,3|H<1>}	120.8830	0.000	1	120.0965	0.227	10	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|C<3>,3|H<1>}	119.5030	0.314	2	119.5030	0.099	2	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|N<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]N){1|C<3>,3|H<1>}	120.3770	0.000	1	120.3770	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>,1|S<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]S){1|C<3>,1|N<3>,2|H<1>}	120.1540	0.000	1	120.1540	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]C)(N[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]C)(N[5a]N[5a]H){1|C<3>,2|H<1>}	118.3020	0.000	1	118.3020	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]N[5a]H){1|C<3>,1|N<2>,2|H<1>}	119.7590	0.000	1	119.7590	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|C<3>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]S){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	119.5420	0.000	1	119.5420	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|C<3>,1|N<3>,2|H<1>}	118.9193	0.774	4	118.9193	0.599	4	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|O<2>,2|H<1>}	120.4490	0.000	1	120.4490	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	121.0345	0.364	2	120.9113	0.112	3	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|C<3>,1|O<2>,2|H<1>}	120.6650	0.000	1	120.9113	0.112	3	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Pd)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Pd)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Pd<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|Pd<4>,1|C<3>,2|H<1>}	119.4950	0.000	1	119.4950	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]O[5a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]O[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]O[5a]O)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,1|S<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<1>,2|O<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]O[5a]S){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	121.5090	0.000	1	121.5090	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]S[5a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]S[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]S[5a]O)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]S[5a]C){1|C<3>,1|O<1>,2|H<1>}	120.7800	0.000	1	120.7800	0.000	1	119.0282	0.657	2237	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[4,5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[4,5a]C[6a])(C[5a]C[4,5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[4,5a]C[4,5a]C[4])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[4,5a]C[6a])(C[5a]C[4,5a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[4,5a]C[4,5a]C[4])(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	117.5200	0.000	1	117.5200	0.000	1	117.5200	0.000	1	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]Br)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]Br)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,3|H<1>}	119.2380	0.000	1	119.2380	0.000	1	118.2987	0.586	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	118.9000	0.000	1	118.9000	0.000	1	118.2987	0.586	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<2>,1|C<3>,2|C<4>,4|H<1>}	118.8495	0.043	2	118.1716	0.452	20	118.2987	0.586	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	118.6460	0.000	1	118.1716	0.452	20	118.2987	0.586	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	118.1630	0.365	2	118.1716	0.452	20	118.2987	0.586	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	117.9087	0.877	9	118.1716	0.452	20	118.2987	0.586	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	118.4137	0.084	3	118.1716	0.452	20	118.2987	0.586	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	117.8910	0.000	1	118.1716	0.452	20	118.2987	0.586	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	118.5790	0.000	1	118.1716	0.452	20	118.2987	0.586	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	117.8720	0.000	1	118.1716	0.452	20	118.2987	0.586	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|B<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|B<4>,1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	119.3200	0.471	2	119.3200	0.222	2	118.2987	0.586	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	118.1830	0.000	1	118.1830	0.000	1	118.2987	0.586	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	118.2810	0.000	1	117.4407	0.612	10	118.2987	0.586	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	119.1300	0.000	1	117.4407	0.612	10	118.2987	0.586	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	117.0204	0.428	5	117.4407	0.612	10	118.2987	0.586	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	117.2980	0.366	3	117.4407	0.612	10	118.2987	0.586	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	119.4920	0.000	1	119.4920	0.000	1	118.2987	0.586	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]Cl)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]Cl)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|C<4>,4|H<1>}	118.1820	0.000	1	118.1820	0.000	1	118.2987	0.586	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]Cl)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|C<4>,4|H<1>}	119.0000	0.000	1	119.0000	0.000	1	118.2987	0.586	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]Cl)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]Cl)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|C<4>,4|H<1>}	119.4540	0.000	1	119.4540	0.000	1	118.2987	0.586	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]Cl)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]Cl)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|C<4>,4|H<1>}	119.2133	0.224	3	119.2133	0.050	3	118.2987	0.586	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	118.4510	0.000	1	118.4510	0.000	1	118.2987	0.586	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	118.2573	0.059	3	118.3796	0.163	15	118.2987	0.586	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	117.8590	0.000	1	118.3796	0.163	15	118.2987	0.586	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	118.1400	0.000	1	118.3796	0.163	15	118.2987	0.586	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	118.3140	0.000	1	118.3796	0.163	15	118.2987	0.586	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	118.3825	0.327	2	118.3796	0.163	15	118.2987	0.586	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	118.3240	0.577	2	118.3796	0.163	15	118.2987	0.586	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){1|Se<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){2|Se<2>,2|C<3>,3|H<1>}	118.7530	0.781	2	118.3796	0.163	15	118.2987	0.586	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	118.0320	0.000	1	118.3796	0.163	15	118.2987	0.586	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	118.8290	0.209	2	118.3796	0.163	15	118.2987	0.586	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	118.9130	0.000	1	118.9130	0.000	1	118.2987	0.586	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]Br)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]Br)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	119.2055	0.405	2	119.2055	0.164	2	119.1032	0.429	91	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	118.6845	0.009	2	118.6845	0.000	2	119.1032	0.429	91	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|B<3>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	119.0705	0.156	4	119.0705	0.024	4	119.1032	0.429	91	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	118.8487	0.605	3	118.9475	0.426	31	119.1032	0.429	91	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	120.4170	0.000	1	118.9475	0.426	31	119.1032	0.429	91	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	118.4227	0.190	3	118.9475	0.426	31	119.1032	0.429	91	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	119.4890	0.000	1	118.9475	0.426	31	119.1032	0.429	91	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|C<3>,4|H<1>}	119.9870	0.000	1	118.9475	0.426	31	119.1032	0.429	91	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	118.9350	0.000	1	118.9475	0.426	31	119.1032	0.429	91	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	119.1018	0.439	6	118.9475	0.426	31	119.1032	0.429	91	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	119.1070	0.028	2	118.9475	0.426	31	119.1032	0.429	91	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	118.4030	0.167	3	118.9475	0.426	31	119.1032	0.429	91	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	119.1945	0.476	2	118.9475	0.426	31	119.1032	0.429	91	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	118.5550	0.724	2	118.9475	0.426	31	119.1032	0.429	91	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	119.7150	0.267	2	118.9475	0.426	31	119.1032	0.429	91	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	118.8930	0.000	1	118.9475	0.426	31	119.1032	0.429	91	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	117.8355	0.713	2	118.9475	0.426	31	119.1032	0.429	91	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	119.2040	0.000	1	118.9475	0.426	31	119.1032	0.429	91	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	120.0330	0.000	1	120.0330	0.000	1	119.1032	0.429	91	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	118.1940	0.000	1	118.1940	0.000	1	119.1032	0.429	91	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]C){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	120.3730	0.000	1	120.3730	0.000	1	119.1032	0.429	91	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	118.9150	0.000	1	119.1020	0.594	5	119.1032	0.429	91	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	117.8790	0.000	1	119.1020	0.594	5	119.1032	0.429	91	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	119.5720	0.302	3	119.1020	0.594	5	119.1032	0.429	91	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]Cl)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	120.3740	0.000	1	120.3740	0.000	1	119.1032	0.429	91	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	118.6430	0.000	1	118.7350	0.017	2	119.1032	0.429	91	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,4|H<1>}	118.8270	0.000	1	118.7350	0.017	2	119.1032	0.429	91	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|F<1>,3|H<1>}	119.5860	0.356	3	119.5860	0.127	3	119.1032	0.429	91	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,5|H<1>}	118.1580	0.000	1	118.9399	0.368	27	119.1032	0.429	91	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	118.7518	0.297	6	118.9399	0.368	27	119.1032	0.429	91	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	119.2005	0.336	2	118.9399	0.368	27	119.1032	0.429	91	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	118.3430	0.000	1	118.9399	0.368	27	119.1032	0.429	91	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	119.6280	0.192	2	118.9399	0.368	27	119.1032	0.429	91	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	119.4938	0.731	4	118.9399	0.368	27	119.1032	0.429	91	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	118.7180	0.215	4	118.9399	0.368	27	119.1032	0.429	91	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|N<2>,3|C<3>,4|H<1>}	118.4420	0.069	2	118.9399	0.368	27	119.1032	0.429	91	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){3|C<3>,5|H<1>}	118.4530	0.000	1	118.9399	0.368	27	119.1032	0.429	91	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	119.3110	0.000	1	118.9399	0.368	27	119.1032	0.429	91	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	119.7330	0.071	2	118.9399	0.368	27	119.1032	0.429	91	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){3|C<3>,4|H<1>}	117.7470	0.000	1	118.9399	0.368	27	119.1032	0.429	91	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){3|C<3>,5|H<1>}	119.0560	0.000	1	119.0560	0.000	1	119.1032	0.429	91	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]N)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|F<1>,2|H<1>}	119.7897	0.213	7	119.7812	0.118	10	119.1032	0.429	91	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]N)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H){2|C<3>,2|F<1>,2|H<1>,2|N<3>}	119.7613	0.627	3	119.7812	0.118	10	119.1032	0.429	91	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	118.8190	0.000	1	118.8190	0.000	1	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Al)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Al)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Al)(C[6a]C[6a]H){1|Al<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|Al<4>,1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Al)(C[6a]C[6a]H){1|Al<4>,1|C<3>,1|C<4>,2|H<1>}	120.6680	0.000	1	120.6680	0.000	1	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	120.5120	0.000	1	120.5120	0.000	1	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|N<3>,2|C<4>,3|H<1>}	119.6750	0.000	1	119.0733	0.325	7	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	118.9230	0.000	1	119.0733	0.325	7	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	118.8740	0.000	1	119.0733	0.325	7	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	119.7320	0.000	1	119.0733	0.325	7	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|Zr<12>,1|C<3>,2|H<1>,4|C<4>}	119.5060	0.000	1	119.0733	0.325	7	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	118.4015	0.029	2	119.0733	0.325	7	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|N<3>,2|C<3>,3|H<1>}	119.6740	0.000	1	118.6986	0.579	8	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	118.2510	0.154	2	118.6986	0.579	8	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	118.8040	0.871	2	118.6986	0.579	8	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	118.9240	0.000	1	118.6986	0.579	8	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Mn<6>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|Mn<6>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	119.3650	0.000	1	118.6986	0.579	8	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Rh<8>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|Rh<8>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	117.5160	0.000	1	118.6986	0.579	8	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]C[6])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]C[6]){3|C<3>,3|H<1>,4|C<4>}	124.5220	0.000	2	124.5220	0.000	2	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|F<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|F<1>,1|H<1>,3|C<3>}	119.5620	0.000	1	119.2574	0.193	20	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	119.0643	0.317	3	119.2574	0.193	20	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	118.5350	0.000	1	119.2574	0.193	20	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>,2|N<2>}	119.6980	0.000	1	119.2574	0.193	20	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|C<2>,1|C<4>,1|H<1>,3|C<3>}	118.8750	0.000	1	119.2574	0.193	20	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	118.8620	0.000	1	119.2574	0.193	20	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|N<3>,2|H<1>,3|C<3>}	118.9965	0.411	2	119.2574	0.193	20	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|N<2>,3|H<1>}	119.5000	0.539	2	119.2574	0.193	20	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	119.5785	0.095	2	119.2574	0.193	20	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	118.6710	0.000	1	119.2574	0.193	20	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	119.3500	0.444	3	119.2574	0.193	20	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|F<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|F<1>,1|H<1>,4|C<3>}	119.8720	0.000	1	119.2574	0.193	20	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	119.6810	0.000	1	119.2574	0.193	20	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Si)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Si<4>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Si)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	120.1520	0.000	1	120.1520	0.000	1	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	120.7450	0.000	1	120.7450	0.000	1	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	119.0110	0.000	1	119.0110	0.000	1	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<2>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]O){1|C<2>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	120.6290	0.000	1	120.6290	0.000	1	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Si)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|Br<1>,1|Si<4>,1|C<3>,1|N<3>,1|O<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Si)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	120.0100	0.000	1	120.0100	0.000	1	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	118.5860	0.000	1	118.7572	0.224	6	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	118.8452	0.586	4	118.7572	0.224	6	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	118.5760	0.000	1	118.7572	0.224	6	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	119.2860	0.000	1	119.2860	0.000	1	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	119.5850	0.000	1	119.5850	0.000	1	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,4|H<1>}	118.9220	0.000	1	118.8780	0.001	3	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	118.8560	0.000	2	118.8780	0.001	3	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Ir)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|Ir<6>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Ir)(C[6a]C[6a]H){1|Ir<6>,1|C<3>,3|H<1>}	118.7280	0.000	1	118.7280	0.000	1	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Pt)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Pt<5>,1|F<1>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Pt)(C[6a]C[6a]H){2|C<3>,3|H<1>}	119.5990	0.000	1	119.5990	0.000	1	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5,6]C[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5,6]C[5a])(C[6a]C[6a]H){1|Pd<4>,1|C<3>,2|C<4>,4|H<1>}	118.5830	0.000	1	118.5830	0.000	1	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Al)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Al<5>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Al)(C[6a]C[6a]C){1|C<3>,4|H<1>}	119.3410	0.222	2	119.3410	0.049	2	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Al)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Al<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Al)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	118.9650	0.211	2	119.1633	0.091	8	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Al)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Al<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Al)(C[6a]C[6a]H){2|C<3>,3|H<1>}	119.2225	0.396	4	119.1633	0.091	8	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Al)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Al<5>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Al)(C[6a]C[6a]H){2|C<3>,3|H<1>}	119.2430	0.140	2	119.1633	0.091	8	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Au)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Au<2>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Au)(C[6a]C[6a]H){1|C<3>,4|H<1>}	118.6890	0.000	1	118.6890	0.000	1	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	118.6260	0.000	1	118.7825	0.049	2	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	118.9390	0.000	1	118.7825	0.049	2	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	119.2440	0.000	1	118.7430	0.230	3	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Rh<8>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|Rh<8>,1|C<3>,1|N<2>,1|N<3>,3|H<1>}	118.6980	0.000	1	118.7430	0.230	3	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|Cr<9>,1|Si<4>,1|C<3>,2|C<4>,3|H<1>}	118.2870	0.000	1	118.7430	0.230	3	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|N<2>,3|H<1>}	119.8933	0.132	3	119.2409	0.340	41	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	119.5420	0.228	2	119.2409	0.340	41	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	119.0570	0.591	3	119.2409	0.340	41	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|I<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|I<1>,3|C<3>,3|H<1>}	119.2940	0.000	1	119.2409	0.340	41	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|N<2>,3|H<1>}	119.6150	0.000	1	119.2409	0.340	41	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|P<4>,3|C<3>,3|H<1>}	118.4210	0.000	1	119.2409	0.340	41	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|S<2>,2|N<2>,3|H<1>}	119.7370	0.000	1	119.2409	0.340	41	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,2|N<2>,4|H<1>}	119.6180	0.000	1	119.2409	0.340	41	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	119.1743	0.940	4	119.2409	0.340	41	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	118.6630	0.300	3	119.2409	0.340	41	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,2|N<2>}	119.5470	0.000	1	119.2409	0.340	41	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	119.0220	0.243	2	119.2409	0.340	41	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){2|C<3>,2|N<2>,3|H<1>}	119.5569	0.388	9	119.2409	0.340	41	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	118.8853	0.582	9	119.2409	0.340	41	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Cu)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Cu<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Cu)(C[6a]C[6a]H){2|C<3>,3|H<1>}	118.7635	0.728	4	118.7635	0.529	4	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Ir)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Ir<5>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Ir)(C[6a]C[6a]H){2|C<3>,3|H<1>}	117.5240	0.000	1	118.3630	0.424	8	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Ir)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Ir<6>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Ir)(C[6a]C[6a]H){2|C<3>,3|H<1>}	118.3605	1.006	2	118.3630	0.424	8	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Ir)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Ir<8>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Ir)(C[6a]C[6a]H){1|C<3>,4|H<1>}	118.6907	0.493	3	118.3630	0.424	8	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Ir)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Ir<8>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Ir)(C[6a]C[6a]H){2|C<3>,3|H<1>}	118.2935	0.660	2	118.3630	0.424	8	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Mg)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Mg<6>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Mg)(C[6a]C[6a]H){2|C<3>,3|H<1>}	119.7893	0.532	6	119.7893	0.283	6	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]N[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]N[5])(C[6a]C[6a]H){1|B<4>,2|C<3>,4|H<1>}	118.4440	0.013	2	118.4440	0.000	2	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Ni)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Ni<4>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Ni)(C[6a]C[6a]H){1|C<3>,4|H<1>}	119.6240	1.471	6	119.6240	2.165	6	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Pd)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Pd<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Pd)(C[6a]C[6a]C){1|C<3>,4|H<1>}	119.4530	0.000	1	119.4530	0.000	1	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Pd)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Pd<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Pd)(C[6a]C[6a]H){2|C<3>,3|H<1>}	119.8515	0.069	2	119.8515	0.005	2	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Pt)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Pt<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Pt)(C[6a]C[6a]H){2|C<3>,3|H<1>}	120.5855	0.922	4	120.5855	0.851	4	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Rh)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Rh<8>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Rh)(C[6a]C[6a]H){1|C<3>,4|H<1>}	119.0130	0.000	1	119.0130	0.000	1	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Ru)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Ru<10>,1|C<3>,1|P<5>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Ru)(C[6a]C[6a]H){1|C<3>,1|P<5>,3|H<1>}	119.2593	0.286	3	119.2362	0.057	4	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Ru)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Ru<9>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Ru)(C[6a]C[6a]H){1|C<3>,4|H<1>}	119.1670	0.000	1	119.2362	0.057	4	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Si)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Si<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Si)(C[6a]C[6a]H){2|C<3>,3|H<1>}	119.9098	0.254	6	119.9098	0.065	6	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Ti)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Ti<5>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Ti)(C[6a]C[6a]H){1|C<3>,4|H<1>}	119.2340	0.013	2	119.2340	0.000	2	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	119.4330	0.000	1	119.4330	0.000	1	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|N<2>,2|C<3>,3|H<1>}	120.4190	0.000	1	120.3985	0.913	4	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	119.9420	0.000	1	120.3985	0.913	4	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|N<2>,3|H<1>}	121.7200	0.000	1	120.3985	0.913	4	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	119.5130	0.000	1	120.3985	0.913	4	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|H<1>,1|I<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|I<1>,1|O<2>,4|H<1>}	119.8580	0.000	1	119.8580	0.000	1	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[4])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[4])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	119.8150	0.000	1	119.8150	0.000	1	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Pd)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|Pd<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Pd)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	119.8900	0.320	3	119.8900	0.102	3	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Ru)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|Ru<6>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Ru)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	120.7410	0.000	1	119.6140	2.540	2	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Ru)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|Ru<6>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Ru)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	118.4870	0.000	1	119.6140	2.540	2	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	119.5510	0.000	1	119.5510	0.000	1	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Ru)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){1|Ru<6>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Ru)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	121.9120	0.871	4	121.9120	0.759	4	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Pd)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Pd)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|Pd<4>,2|H<1>,4|C<3>}	117.5730	0.000	1	117.5730	0.000	1	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	120.2180	0.000	1	120.2180	0.000	1	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,3|H<1>}	118.8140	0.000	1	118.8140	0.000	1	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	120.0505	0.380	4	120.0795	0.104	6	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	120.1375	0.279	2	120.0795	0.104	6	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	120.2750	0.000	1	120.2750	0.000	1	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	121.3420	0.000	1	121.3420	0.000	1	119.4334	1.008	190	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,2|C<3>,3|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	118.7890	0.000	1	118.7890	0.000	1	118.7890	0.000	1	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[6,6a]C[6,6a]C[6,6])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6,6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](C[6,6a]C[6,6a]C[6,6])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H){1|H<1>,1|N<3>,5|C<3>}	119.6790	0.000	1	119.6790	0.000	1	119.6790	0.000	1	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,5a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5,5a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]C[5,5a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a]){3|H<1>,6|C<3>}	121.8270	0.000	1	121.8270	0.000	1	121.8270	0.000	1	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Fe<6>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N){1|Fe<6>,1|N<2>,2|H<1>,3|C<3>}	122.4985	0.168	2	122.4985	0.028	2	121.6887	1.982	3	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]O[5a]Si)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]O[5a]Si)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]O[5a]Si)(C[6a]C[6a]H){1|Si<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|Si<4>,1|O<2>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]O[5a]Si){1|Si<4>,2|H<1>,3|C<3>}	120.0690	0.000	1	120.0690	0.000	1	121.6887	1.982	3	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,1|N<3>,5|C<3>}	120.0860	0.501	2	120.0860	0.251	2	119.7967	0.337	22	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|C<2>,1|N<3>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C){1|C<2>,1|H<1>,1|N<3>,4|C<3>}	120.4755	0.207	2	120.0951	0.352	7	119.7967	0.337	22	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C){1|C<4>,1|H<1>,1|N<4>,4|C<3>}	120.4770	0.187	2	120.0951	0.352	7	119.7967	0.337	22	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C){1|C<4>,3|C<3>,3|H<1>}	119.2510	0.000	2	120.0951	0.352	7	119.7967	0.337	22	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C){1|N<3>,2|H<1>,4|C<3>}	120.2590	0.000	1	120.0951	0.352	7	119.7967	0.337	22	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|N<2>,2|H<1>,6|C<3>}	119.5895	0.050	2	119.5895	0.003	2	119.7967	0.337	22	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H){1|C<4>,2|H<1>,4|C<3>}	118.9240	0.000	1	119.1850	0.250	3	119.7967	0.337	22	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H){2|H<1>,5|C<3>}	119.3155	0.631	2	119.1850	0.250	3	119.7967	0.337	22	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C){1|N<4>,3|C<3>,3|H<1>}	120.1690	0.000	1	120.0335	0.037	2	119.7967	0.337	22	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C){3|H<1>,4|C<3>}	119.8980	0.000	1	120.0335	0.037	2	119.7967	0.337	22	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H){2|H<1>,4|C<3>}	119.1520	0.102	3	119.1520	0.010	3	119.7967	0.337	22	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H){1|C<4>,1|H<1>,3|C<3>}	120.5660	0.000	1	120.5660	0.000	1	119.7967	0.337	22	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H){1|N<3>,2|H<1>,3|C<3>}	119.6440	0.000	1	119.9330	0.167	2	119.7967	0.337	22	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H){3|C<3>,3|H<1>}	120.2220	0.000	1	119.9330	0.167	2	119.7967	0.337	22	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](N[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	117.7355	0.664	2	117.7355	0.441	2	118.9977	3.341	6	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](N[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](N[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	119.8910	0.000	1	119.8910	0.000	1	118.9977	3.341	6	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](N[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	118.6980	0.000	1	118.6980	0.000	1	118.9977	3.341	6	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5,5a]C[5,5a]C[5,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](N[5,5a]C[5,5a]C[5,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	117.6910	0.000	1	117.6910	0.000	1	118.9977	3.341	6	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](N[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){2|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](N[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,4|C<3>}	122.2350	0.000	1	122.2350	0.000	1	118.9977	3.341	6	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,5a]B[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]C)(C[6a]C[6a]H){1|B<4>,1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]B[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	118.6270	0.000	1	118.6270	0.000	1	118.4949	1.326	14	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	116.6280	0.110	2	116.6280	0.012	2	118.4949	1.326	14	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](N[5a,5a]C[5a,5a]B[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]H){1|Cl<1>,1|B<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](N[5a,5a]C[5a,5a]B[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	118.7220	0.000	1	118.7220	0.000	1	118.4949	1.326	14	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a,6a](N[5a,5a]C[5a,5a]B[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]H){1|B<4>,1|F<1>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](N[5a,5a]C[5a,5a]B[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	119.7330	0.000	1	119.2675	0.433	2	118.4949	1.326	14	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a,6a](N[5a,5a]C[5a,5a]B[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]H){1|B<4>,1|F<1>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](N[5a,5a]C[5a,5a]B[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	118.8020	0.000	1	119.2675	0.433	2	118.4949	1.326	14	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,5a]B[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](N[5a,5a]C[5a,5a]B[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	118.5580	0.236	2	118.5580	0.056	2	118.4949	1.326	14	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|B<4>,1|N<3>,2|C<3>,3|H<1>}	119.4140	0.000	1	119.4140	0.000	1	118.4949	1.326	14	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	118.1060	0.000	1	118.1060	0.000	1	118.4949	1.326	14	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|C<3>,2|S<2>,3|H<1>}	118.2400	0.000	1	118.2400	0.000	1	118.4949	1.326	14	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](N[5a,5a]C[5a,5a]B[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]H){1|B<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](N[5a,5a]C[5a,5a]B[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	119.0290	0.000	1	119.0290	0.000	1	118.4949	1.326	14	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]N)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,2|N<2>,3|C<3>}	120.7780	0.000	1	120.7780	0.000	1	118.4949	1.326	14	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]N)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<2>}	117.1050	0.000	1	117.1050	0.000	1	118.4949	1.326	14	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,5a])(C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,5a])(C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,2|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){1|N<3>,2|H<1>,6|C<3>}	120.0515	0.074	2	120.0515	0.006	2	120.0515	0.006	2	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	119.5490	0.000	1	119.5490	0.000	1	119.3969	0.189	20	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	119.3620	0.290	7	119.3620	0.084	7	119.3969	0.189	20	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	119.1790	0.000	1	119.1790	0.000	1	119.3969	0.189	20	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H){1|Si<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|Si<4>,2|H<1>,4|C<3>}	118.3930	0.000	1	118.3930	0.000	1	119.3969	0.189	20	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	120.4320	0.000	1	120.0760	0.253	2	119.3969	0.189	20	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	119.7200	0.000	1	120.0760	0.253	2	119.3969	0.189	20	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	119.1300	0.000	1	119.1300	0.000	1	119.3969	0.189	20	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	119.4390	0.372	4	119.4287	0.124	7	119.3969	0.189	20	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	118.9480	0.000	1	119.4287	0.124	7	119.3969	0.189	20	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	119.6485	0.013	2	119.4287	0.124	7	119.3969	0.189	20	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a,6a]C[6a])(C[5a]C[5a,6a,6a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a,6a]C[5a,6a,6a]B[3x6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a,6a]C[6a])(C[5a]C[5a,6a,6a]N)(C[6a]C[6a]H){1|C<3>,2|B<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](N[5a,6a,6a]C[5a,6a,6a]B[3x6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,2|N<3>,3|C<3>}	120.2200	0.000	1	120.2200	0.000	1	120.2200	0.000	1	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	120.4560	1.156	3	119.6044	1.263	7	119.2778	0.748	45	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	118.9657	0.605	4	119.6044	1.263	7	119.2778	0.748	45	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	118.5930	0.000	1	118.7691	0.493	10	119.2778	0.748	45	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	118.9607	0.226	3	118.7691	0.493	10	119.2778	0.748	45	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	118.2525	0.754	4	118.7691	0.493	10	119.2778	0.748	45	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	119.4790	0.000	1	118.7691	0.493	10	119.2778	0.748	45	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	119.7270	0.000	1	118.7691	0.493	10	119.2778	0.748	45	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	119.3910	0.000	1	119.3910	0.000	1	119.2778	0.748	45	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	119.1610	0.000	1	119.1610	0.000	1	119.2778	0.748	45	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	118.1720	0.000	1	118.1720	0.000	1	119.2778	0.748	45	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]Cl)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]Cl)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|Cl<1>,3|C<3>,3|H<1>}	119.1620	0.000	1	119.1620	0.000	1	119.2778	0.748	45	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	118.9360	0.000	1	118.9360	0.000	1	119.2778	0.748	45	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){2|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C){3|C<3>,4|H<1>}	120.4820	1.065	2	120.4820	1.134	2	119.2778	0.748	45	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	118.8170	0.000	1	118.9140	0.256	4	119.2778	0.748	45	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	119.4190	0.000	1	118.9140	0.256	4	119.2778	0.748	45	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	118.2520	0.000	1	118.9140	0.256	4	119.2778	0.748	45	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	119.1680	0.000	1	118.9140	0.256	4	119.2778	0.748	45	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	119.3630	0.000	1	119.3630	0.000	1	119.2778	0.748	45	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	119.5900	0.000	1	119.3660	0.290	4	119.2778	0.748	45	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	118.5640	0.000	1	119.3660	0.290	4	119.2778	0.748	45	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	119.6550	0.093	2	119.3660	0.290	4	119.2778	0.748	45	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	118.8930	0.505	3	118.7883	0.214	4	119.2778	0.748	45	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	118.4740	0.000	1	118.7883	0.214	4	119.2778	0.748	45	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	120.7610	0.000	1	120.7610	0.000	1	119.2778	0.748	45	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]N)(C[6a]C[6a]H){1|F<1>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	119.5710	0.000	1	119.5710	0.000	1	119.2778	0.748	45	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	118.4380	0.000	1	118.4380	0.000	1	119.2778	0.748	45	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	120.3550	0.000	1	119.6493	0.388	3	119.2778	0.748	45	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	119.2965	0.170	2	119.6493	0.388	3	119.2778	0.748	45	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a,6a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[5a,6a](N[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	120.6560	0.000	1	120.6560	0.000	1	119.2778	0.748	45	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a,6a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[5a,6a](N[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	120.7840	0.000	1	120.7840	0.000	1	119.2778	0.748	45	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	C[5a,6a](N[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C){1|C<4>,1|H<1>,3|C<3>}	120.0805	0.472	2	120.0805	0.222	2	120.0805	0.222	2	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a]B[5x3,5x5,20x6]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|B<6>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](N[5a]B[5x3,5x5,20x6]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|C<6>,4|B<6>,4|H<1>}	119.2085	0.264	2	119.2085	0.070	2	119.2085	0.070	2	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:I-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]I)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O[6a])(I)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]O[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]I){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O[6a])(I){1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]O[6a]O){1|I<1>,3|C<3>}	118.0590	0.000	1	118.0590	0.000	1	118.0590	0.000	1	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6]-3:C[5a,6a]-3:N[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]N[6a])(C[5a]N[5a,6]C[6a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6]N[6a])(C[5a]N[5a,6]C[6a])(C[6a]N[6a]O){3|C<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|O<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C){1|H<1>,2|N<3>,2|O<1>,3|C<3>}	121.3470	0.000	1	121.3470	0.000	1	121.3470	0.000	1	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:N[6a]-3:	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(N[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]N[6a]O){3|C<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|O<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(N[6a]C[6a]C){1|N<3>,2|C<3>,2|O<1>}	121.1790	0.518	2	121.1790	0.268	2	121.1790	0.268	2	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a]H)(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]N[6a]O){1|C<3>,1|N<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a]H)(O){1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	118.1320	0.000	1	118.1320	0.000	1	120.5029	1.214	7	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]N[6a]O){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>}	120.8980	0.380	6	120.8980	0.145	6	120.5029	1.214	7	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]N[6a]O){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O){1|N<3>,2|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>}	120.5660	0.000	1	120.5660	0.000	1	120.5660	0.000	1	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[5a]-3:N[6a]-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]C)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]O){1|C<3>,4|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|O<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]C){1|C<3>,1|C<4>,1|N<3>,2|O<1>}	118.6630	0.000	1	118.6630	0.000	1	120.3024	2.425	7	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[5a]-3:N[6a]-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[6a]C)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]O){2|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|O<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[6a]C){1|N<3>,2|O<1>,4|C<3>}	121.2610	0.000	1	121.2610	0.000	1	120.3024	2.425	7	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[5a]-3:N[6a]-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[6a]C)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]N[6a]O){2|C<4>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|O<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[6a]C){1|N<3>,2|O<1>,4|C<3>}	117.5050	0.000	1	117.5050	0.000	1	120.3024	2.425	7	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[5a]-3:N[6a]-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]C)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O){2|C<3>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]C){1|C<3>,1|H<1>,1|N<3>,2|O<1>}	121.2265	0.043	2	121.2265	0.002	2	120.3024	2.425	7	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[5a]-3:N[6a]-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]C)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){1|C<3>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|H<1>,1|N<2>,1|O<1>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]C){1|H<1>,1|N<3>,2|O<1>}	121.1175	0.285	2	121.1175	0.081	2	120.3024	2.425	7	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]C)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C[5])(C[5a]S[5a]H)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]C)(C[6a]N[6a]O){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|S<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C[5])(C[5a]S[5a]H){1|H<1>,1|N<3>,1|O<2>,2|C<4>,2|O<1>}	120.2525	0.216	2	120.2525	0.047	2	120.2525	0.047	2	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a]C[6a])(O)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]N[6a]O){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a]C[6a])(O){1|N<3>,6|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	122.2230	0.000	1	122.2230	0.000	1	122.2133	0.053	4	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a]C[6a])(O)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	122.0575	0.138	2	122.2100	0.079	3	122.2133	0.053	4	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a]C[6a])(O)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]O){5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	122.5150	0.000	1	122.2100	0.079	3	122.2133	0.053	4	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]N[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]N[5])(H){1|C<4>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(N[5a]C[5a]C){1|H<1>,1|O<1>,3|C<3>}	120.8540	0.000	1	120.8540	0.000	1	120.0987	1.402	3	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]C){1|C<3>,1|O<2>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.7080	0.000	1	120.7080	0.000	1	120.0987	1.402	3	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5,6])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5,6])(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	118.7340	0.000	1	118.7340	0.000	1	120.0987	1.402	3	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]Br)(C[5a]N[5a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])2(Br)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]Br)(C[5a]N[5a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]Br)(C[5a]N[5a]O){1|Br<1>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])2(Br){2|N<3>,2|O<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]Br)(C[5a]N[5a]O){1|Br<1>,1|H<1>,1|O<1>,2|C<3>}	122.0102	0.245	4	122.0102	0.060	4	122.0102	0.060	4	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]Cl)(C[5a]N[5a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])2(Cl)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]Cl)(C[5a]N[5a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]Cl)(C[5a]N[5a]O){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])2(Cl){2|N<3>,2|O<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]Cl)(C[5a]N[5a]O){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>}	122.0670	0.355	2	122.0670	0.126	2	122.0670	0.126	2	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])2(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])2(H){2|N<3>,2|O<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	122.7081	0.492	68	122.6996	0.237	76	122.7251	0.222	90	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])2(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]O){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])2(H){2|N<3>,2|O<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]O){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	122.7280	0.486	2	122.6996	0.237	76	122.7251	0.222	90	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])2(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]O){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])2(H){2|N<3>,2|O<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]O){1|O<1>,2|C<3>,2|H<1>}	122.5948	0.496	6	122.6996	0.237	76	122.7251	0.222	90	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]S)	C[6a](C[5a,6a]C[5a,6a]C[5a])2(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]S)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]S){1|C<4>,1|H<1>,1|S<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])2(H){2|N<3>,2|S<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]S){1|C<4>,1|H<1>,1|S<1>,2|C<3>}	122.5855	0.149	2	122.5855	0.022	2	122.7251	0.222	90	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]O[5a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])2(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]O[5a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]O[5a]O){1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])2(H){2|O<1>,2|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]O[5a]O){1|H<1>,1|O<1>,2|C<3>}	122.9099	0.366	12	122.9099	0.134	12	122.7251	0.222	90	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:I-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]I)(C[5a]N[5a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])2(I)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]I)(C[5a]N[5a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]I)(C[5a]N[5a]O){1|H<1>,1|I<1>,1|O<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])2(I){2|N<3>,2|O<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]I)(C[5a]N[5a]O){1|H<1>,1|I<1>,1|O<1>,2|C<3>}	122.0883	0.569	4	122.0883	0.324	4	122.0883	0.324	4	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6,6a]H)(C[5a]S[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6,6a]H)(C[5a]S[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6,6a]H)(C[5a]S[5a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,1|O<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6,6a]H)(C[5a]S[5a]H){2|C<3>,2|H<1>}	119.3780	0.726	4	119.3780	0.528	4	119.3780	0.528	4	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)(C[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6,6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6,6a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	118.9900	0.000	1	119.0600	0.010	2	119.0600	0.010	2	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)(C[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6,6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6,6a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	119.1300	0.000	1	119.0600	0.010	2	119.0600	0.010	2	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[6a]C[6a,6a]H)(C[5a]C[5,5a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[6a]C[6a,6a]H)(C[5a]C[5,5a]N){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,2|N<3>,4|C<3>}	120.7180	0.000	1	120.7180	0.000	1	120.7180	0.000	1	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(C[5a]N[5a]C){1|Pd<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(C[5a]N[5a]C){1|Pd<4>,1|H<1>,3|C<3>}	120.5455	1.621	2	120.5455	2.629	2	121.4520	0.678	26	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(C[5a]N[5a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(C[5a]N[5a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(C[5a]N[5a]N){1|Co<6>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(C[5a]N[5a]N){1|Co<6>,1|H<1>,1|N<2>,2|C<3>}	122.6033	0.767	4	121.5276	0.545	24	121.4520	0.678	26	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(C[5a]N[5a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(C[5a]N[5a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(C[5a]N[5a]N){1|Sn<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(C[5a]N[5a]N){1|Sn<4>,1|H<1>,1|N<2>,2|C<3>}	121.4885	0.245	16	121.5276	0.545	24	121.4520	0.678	26	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(C[5a]N[5a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(C[5a]N[5a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(C[5a]N[5a]N){1|Sn<6>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(C[5a]N[5a]N){1|Sn<6>,1|H<1>,1|N<2>,2|C<3>}	120.6082	0.784	4	121.5276	0.545	24	121.4520	0.678	26	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]2){1|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]H){1|H<1>,6|C<3>}	116.1940	0.000	1	116.1940	0.000	1	117.7005	4.539	2	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]C){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a]S){1|C<4>,2|C<3>,2|H<1>}	119.2070	0.000	1	119.2070	0.000	1	117.7005	4.539	2	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:O-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a,6a]O)(C[5a]N[5a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[3x6a]C[6a])(O)	C[5a,6a](C[6a,6a]C[3x6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]N[5a]O)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a,6a]O)(C[5a]N[5a]O){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[3x6a]C[6a])(O){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5a,6a](C[6a,6a]C[3x6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]N[5a]O){2|H<1>,2|O<1>,3|C<3>}	122.8530	0.000	1	122.8530	0.000	1	122.8530	0.000	1	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(C[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Br)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(C[5a]C[5a]C){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Br){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	115.7450	0.355	2	115.7450	0.126	2	117.3491	1.794	7	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(C[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Br)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(C[5a]C[5a]C){1|C<3>,1|S<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Br){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	117.0930	0.218	2	117.0930	0.047	2	117.3491	1.794	7	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Br)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(C[5a]C[5a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Br){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,3|H<1>}	118.0240	0.000	1	118.0240	0.000	1	117.3491	1.794	7	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(C[5a]C[5a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(Br)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(C[5a]C[5a]O){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(Br){1|Br<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|Br<1>,1|C<3>,1|H<1>,1|O<2>}	118.8720	0.468	2	118.8720	0.219	2	117.3491	1.794	7	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(C[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Cl)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(C[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Cl){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	116.4280	0.450	2	116.4875	3.074	4	116.7092	2.161	6	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(C[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Cl)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(C[5a]C[5a]C){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Cl){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	116.5470	3.001	2	116.4875	3.074	4	116.7092	2.161	6	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(C[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Cl)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(C[5a]C[5a]S){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Cl){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Cl<1>,1|C<3>,1|S<2>,2|H<1>}	116.4470	0.000	1	116.4470	0.000	1	116.7092	2.161	6	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Cl)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(C[5a]N[5a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	117.8580	0.000	1	117.8580	0.000	1	116.7092	2.161	6	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Cl)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(C[5a]C[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Cl){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|H<1>,2|N<2>}	119.3840	0.000	1	119.3840	0.000	1	119.3840	0.000	1	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(N[5a]C[5a]C){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(H){1|C<4>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	122.5540	0.000	1	122.5540	0.000	1	122.9517	0.140	3	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(H){1|C<4>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	123.0030	0.000	1	123.0030	0.000	1	122.9517	0.140	3	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|O<2>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]C){1|C<3>,1|O<2>,1|S<4>,2|H<1>}	123.2980	0.000	1	123.2980	0.000	1	122.9517	0.140	3	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(H){2|C<4>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	124.1497	0.646	3	123.7180	1.024	4	123.7180	1.024	4	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]C){1|Fe<8>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(H){2|C<4>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]C){1|Fe<8>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	122.4230	0.000	1	123.7180	1.024	4	123.7180	1.024	4	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,5a]C)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]N[5a])(H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,5a]C){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]N[5a])(H){1|C<4>,1|N<3>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	122.2830	0.000	1	122.2830	0.000	1	122.2830	0.000	1	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]C){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(H){1|C<4>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	122.6100	0.090	3	122.0960	0.507	5	122.8285	0.450	17	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]C){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(H){1|C<4>,1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	121.3250	0.173	2	122.0960	0.507	5	122.8285	0.450	17	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){1|N<3>,3|C<3>,3|H<1>}	123.0155	0.240	2	123.0155	0.057	2	122.8285	0.450	17	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){3|H<1>,4|C<3>}	123.5000	0.000	1	123.5000	0.000	1	122.8285	0.450	17	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])2(H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){2|H<1>,5|C<3>}	123.8070	0.000	1	123.8070	0.000	1	122.8285	0.450	17	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]S){1|C<4>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H){1|S<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C){1|S<4>,2|H<1>,4|C<3>}	123.2920	0.041	2	123.2920	0.002	2	122.8285	0.450	17	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]S){1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H){1|S<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[6a]){1|S<4>,2|H<1>,6|C<3>}	123.4900	0.000	1	123.4900	0.000	1	122.8285	0.450	17	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]S){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H){1|S<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){1|S<4>,2|H<1>,4|C<3>}	122.8430	0.000	1	122.8430	0.000	1	122.8285	0.450	17	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]S){1|S<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(H){1|S<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[6a]){1|S<4>,2|H<1>,6|C<3>}	122.9690	0.004	2	122.9690	0.000	2	122.8285	0.450	17	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]S){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(H){1|S<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){1|S<4>,2|H<1>,4|C<3>}	122.7060	0.119	2	122.7060	0.014	2	122.8285	0.450	17	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6a]C[6,6a]H)(N[5a]C[5a,6]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]O[6])(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6a]C[6,6a]H)(N[5a]C[5a,6]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]O[6])(H){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H){2|C<3>,2|C<4>,4|H<1>}	121.9290	0.000	1	121.9290	0.000	1	121.9290	0.000	1	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6,6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]O[6])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6,6a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]O[6])(H){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	122.4440	0.000	1	122.7365	0.171	2	122.7365	0.171	2	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6,6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]O[6])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6,6a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]O[6])(H){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	123.0290	0.000	1	122.7365	0.171	2	122.7365	0.171	2	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]C){5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]2)(H){1|C<4>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,7|C<3>}	122.4430	0.000	1	122.4430	0.000	1	122.4000	0.527	17	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]C){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]2)(H){1|C<4>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H){1|C<4>,1|H<1>,5|C<3>}	123.4700	0.000	1	123.4700	0.000	1	122.4000	0.527	17	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]C){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]2)(H){1|C<4>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H){1|C<4>,2|H<1>,4|C<3>}	122.2963	0.271	4	122.2963	0.074	4	122.4000	0.527	17	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]C){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|C<2>,1|C<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H){1|C<4>,2|H<1>,4|C<3>}	122.9080	0.000	1	122.9080	0.000	1	122.4000	0.527	17	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H){3|H<1>,4|C<3>}	122.0890	2.298	2	122.2380	2.707	3	122.4000	0.527	17	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H){3|H<1>,4|C<3>}	122.5360	0.000	1	122.2380	2.707	3	122.4000	0.527	17	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(H){1|C<4>,1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H){3|H<1>,4|C<3>}	122.5893	0.143	3	122.5893	0.020	3	122.4000	0.527	17	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]S){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]2)(H){1|S<4>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H){1|S<4>,2|H<1>,4|C<3>}	122.0770	0.000	1	122.0770	0.000	1	122.4000	0.527	17	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]S){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|C<4>,1|S<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H){1|S<4>,2|H<1>,4|C<3>}	122.7470	0.000	1	122.0783	0.352	3	122.4000	0.527	17	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]S){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,1|S<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H){1|S<4>,2|H<1>,4|C<3>}	121.7440	0.184	2	122.0783	0.352	3	122.4000	0.527	17	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a]S){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,1|S<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]C){1|S<4>,2|C<3>,2|H<1>}	122.9390	0.000	1	122.9390	0.000	1	122.9390	0.000	1	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	118.5720	0.000	1	118.5720	0.000	1	120.1770	1.549	6	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	120.7440	0.000	1	120.7440	0.000	1	120.1770	1.549	6	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,4|H<1>}	120.8530	0.000	1	120.8530	0.000	1	120.1770	1.549	6	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(N[5a]N[5a]C){1|C<3>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br){1|Br<1>,1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]O){2|Br<1>,1|C<3>,1|C<4>}	119.4680	0.465	2	119.4680	0.216	2	120.1770	1.549	6	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(N[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(N[5a]N[5a]H){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]N){1|Br<1>,1|C<3>,2|H<1>}	121.9570	0.000	1	121.9570	0.000	1	120.1770	1.549	6	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Cl)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Cl)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	121.1360	0.000	1	121.1360	0.000	1	120.6292	0.393	4	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Cl)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Cl)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|Cl<1>,1|H<1>,4|C<3>}	121.2020	0.000	1	121.2020	0.000	1	120.6292	0.393	4	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Cl)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Cl)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	120.0895	0.111	2	120.0895	0.012	2	120.6292	0.393	4	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(F)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(F){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|F<1>,2|H<1>}	120.0280	0.000	1	120.0280	0.000	1	120.7937	1.404	29	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(F)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(F){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|F<1>,2|C<3>,2|C<4>,3|H<1>}	120.0970	0.000	1	120.0970	0.000	1	120.7937	1.404	29	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]C[5a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(F)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]C[5a]N){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(F){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|N<2>}	120.6860	0.000	1	120.6860	0.000	1	120.7937	1.404	29	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]N[5a]B)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]F)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]N[5a]B){2|C<3>,2|F<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F){1|B<4>,1|F<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]F){1|B<4>,2|F<1>,3|C<3>}	120.0274	0.476	10	120.0274	0.227	10	120.7937	1.404	29	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]N[5a]B)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]F)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]N[5a]B){1|C<3>,1|C<4>,2|F<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F){1|B<4>,1|F<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]F){1|B<4>,1|C<3>,2|F<1>}	119.9822	1.047	6	119.9822	1.097	6	120.7937	1.404	29	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]F)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]N[5a]H){2|C<3>,2|F<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]F){1|H<1>,2|F<1>,3|C<3>}	122.5760	0.248	3	122.5760	0.061	3	120.7937	1.404	29	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]F)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]N[5a]H){1|C<3>,1|C<4>,2|F<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]F){1|C<3>,1|H<1>,2|F<1>}	122.0446	0.212	7	122.0446	0.045	7	120.7937	1.404	29	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a]C){1|C<3>,1|H<1>,1|O<1>,2|F<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F){1|C<4>,1|F<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|O<1>,2|F<1>}	119.6660	0.130	2	119.6660	0.017	2	120.4918	0.670	5	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|O<1>,2|F<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F){1|F<1>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a]C){1|C<3>,1|H<1>,1|O<1>,2|F<1>}	120.9195	0.547	2	120.9195	0.299	2	120.4918	0.670	5	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a]H){1|C<3>,1|H<1>,1|O<1>,2|F<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F){1|F<1>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a]H){1|C<3>,1|H<1>,1|O<1>,2|F<1>}	121.2880	0.000	1	121.2880	0.000	1	120.4918	0.670	5	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5,6a]H)(H)	C[5a,6a](C[5,6a]C[5,6a]O[5])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|O<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5,6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5,6a]C[5,6a]O[5])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){1|C<3>,2|C<4>,3|H<1>}	122.9300	0.000	1	122.9300	0.000	1	122.9300	0.000	1	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){1|N<3>,3|C<3>,3|H<1>}	124.3650	0.088	2	124.3650	0.008	2	123.7417	0.521	4	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	123.1185	0.008	2	123.1185	0.000	2	123.7417	0.521	4	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|Ir<6>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Ir<6>,2|C<3>,2|H<1>}	121.8890	0.000	1	121.8890	0.000	1	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	122.8400	0.000	1	122.8400	0.000	1	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.1395	0.749	2	122.4418	0.368	5	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|S<2>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,3|H<1>}	122.6433	0.550	3	122.4418	0.368	5	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]B)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]B){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|B<3>,1|C<3>,3|H<1>}	122.3650	0.000	1	122.3650	0.000	1	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]B)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]B){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|B<3>,3|C<3>,3|H<1>}	120.9720	0.000	1	120.9720	0.000	1	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]B)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]B){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|B<3>,1|C<3>,1|C<4>,2|H<1>}	121.0480	0.000	1	121.3147	0.071	3	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]B)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]B){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|B<3>,1|C<3>,3|H<1>}	121.3160	0.000	1	121.3147	0.071	3	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]B)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]B){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|B<4>,1|C<3>,3|H<1>}	121.5800	0.000	1	121.3147	0.071	3	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	122.1680	0.000	1	122.1680	0.000	1	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|Br<1>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	121.6720	0.000	1	121.6720	0.000	1	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	124.0257	0.267	3	124.0257	0.071	3	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	122.8185	0.609	2	122.5227	0.448	3	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|Br<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|H<1>}	121.9310	0.000	1	122.5227	0.448	3	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	122.3540	0.000	1	122.3540	0.000	1	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	122.0640	0.000	1	122.1565	0.017	2	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	122.2490	0.000	1	122.1565	0.017	2	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	122.6970	0.000	1	122.6970	0.000	1	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	122.6580	0.000	1	122.6580	0.000	1	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	122.5445	0.069	2	122.5445	0.005	2	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	122.1660	0.841	2	122.4405	0.417	4	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	122.7150	0.491	2	122.4405	0.417	4	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|F<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	122.0800	0.000	1	122.0800	0.000	1	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]B[5a]C[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|B<3>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]B[5a]C[5a])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>,2|O<2>}	123.1200	0.000	1	123.1750	0.006	2	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]B[5a]C[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|B<3>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]B[5a]C[5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|F<1>,2|H<1>,2|O<2>}	123.2300	0.000	1	123.1750	0.006	2	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[4a]C[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[4a]C[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	123.0290	0.035	2	123.0830	0.009	3	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[4a]C[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[4a]C[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	123.1910	0.000	1	123.0830	0.009	3	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,5]C[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,5]C[5a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	122.1850	0.000	1	122.1850	0.000	1	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,5]C[5a])(C[6a]C[6a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,5]C[5a])(C[6a]C[6a]N){1|C<3>,3|C<4>,4|H<1>}	124.0070	0.000	1	124.0070	0.000	1	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,6]C[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,6]C[5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|S<2>,3|H<1>}	122.2695	0.301	2	122.2695	0.090	2	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Cl<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|Cl<1>,1|O<2>,2|H<1>,3|C<3>}	120.9320	0.000	1	122.0975	0.242	11	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	122.0370	0.000	1	122.0975	0.242	11	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	121.9547	0.322	3	122.0975	0.242	11	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	122.1120	0.000	1	122.0975	0.242	11	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	122.3648	0.240	4	122.0975	0.242	11	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	122.6690	0.000	1	122.0975	0.242	11	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]B[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|B<3>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]B[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	122.9670	0.618	2	122.9670	0.382	2	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	121.7885	0.091	2	121.2958	0.289	6	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.4185	0.211	2	121.2958	0.289	6	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	120.4380	0.000	1	121.2958	0.289	6	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	120.9230	0.000	1	121.2958	0.289	6	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,1|C<4>,3|H<1>}	122.9670	0.000	1	123.0350	0.411	5	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	122.2720	0.000	1	123.0350	0.411	5	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,1|C<4>,3|H<1>}	123.4135	0.875	2	123.0350	0.411	5	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,1|C<4>,3|H<1>}	123.1090	0.000	1	123.0350	0.411	5	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	122.4545	0.243	2	122.2231	0.459	333	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|B<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	124.1120	0.000	1	122.2231	0.459	333	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	121.9450	0.013	2	122.2231	0.459	333	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	122.0660	0.000	1	122.2231	0.459	333	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	122.0840	0.000	1	122.2231	0.459	333	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.4290	0.000	1	122.2231	0.459	333	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.1340	0.765	2	122.2231	0.459	333	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	121.5370	0.445	2	122.2231	0.459	333	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	122.1397	1.110	3	122.2231	0.459	333	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	122.1524	0.274	5	122.2231	0.459	333	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|H<1>}	121.6030	0.000	1	122.2231	0.459	333	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	122.3164	0.465	48	122.2231	0.459	333	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|I<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|I<1>,2|H<1>}	122.4700	0.000	1	122.2231	0.459	333	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.5996	0.399	5	122.2231	0.459	333	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	121.7515	0.380	8	122.2231	0.459	333	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|H<1>}	121.6420	0.000	1	122.2231	0.459	333	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	122.2503	0.500	16	122.2231	0.459	333	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	121.3305	0.299	2	122.2231	0.459	333	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	121.9505	0.057	2	122.2231	0.459	333	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	121.7900	0.000	1	122.2231	0.459	333	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	122.2860	0.014	2	122.2231	0.459	333	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	122.2315	0.421	22	122.2231	0.459	333	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	121.4330	0.000	1	122.2231	0.459	333	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	121.8940	0.000	1	122.2231	0.459	333	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	121.9135	0.438	2	122.2231	0.459	333	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	121.8520	0.516	3	122.2231	0.459	333	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	121.1489	0.726	15	122.2231	0.459	333	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,3|C<4>}	121.9590	0.000	1	122.2231	0.459	333	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	121.1985	0.286	2	122.2231	0.459	333	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	122.5665	0.504	15	122.2231	0.459	333	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	121.8299	0.475	17	122.2231	0.459	333	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	121.4593	0.463	12	122.2231	0.459	333	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|F<1>,1|H<1>,3|C<3>}	122.8960	0.000	1	122.2231	0.459	333	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	121.9342	0.406	4	122.2231	0.459	333	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.1334	0.321	7	122.2231	0.459	333	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	120.8465	0.384	2	122.2231	0.459	333	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Ir<8>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Ir<8>,1|C<3>,1|C<4>,2|H<1>}	123.1537	1.292	3	122.2231	0.459	333	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	122.1340	0.000	1	122.2231	0.459	333	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Pd<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	122.8493	0.427	3	122.2231	0.459	333	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Pd<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Pd<4>,2|C<3>,2|H<1>}	122.8850	0.000	1	122.2231	0.459	333	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Rh<8>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Rh<8>,1|C<3>,1|C<4>,2|H<1>}	122.8630	0.000	1	122.2231	0.459	333	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	122.4170	0.288	4	122.2231	0.459	333	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,3|H<1>}	123.8090	0.255	2	122.2231	0.459	333	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	122.7308	0.493	65	122.2231	0.459	333	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	122.6470	0.000	1	122.2231	0.459	333	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	122.1502	0.647	9	122.2231	0.459	333	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|H<1>}	122.4250	0.000	1	122.2231	0.459	333	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	122.4002	0.392	10	122.2231	0.459	333	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Se<2>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	123.2630	0.000	1	122.2231	0.459	333	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	122.2506	0.604	15	122.2231	0.459	333	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.8847	0.533	4	122.2231	0.459	333	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O){1|C<3>,1|C<4>,3|H<1>}	122.3680	0.000	1	122.2770	0.017	2	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Si<4>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O){1|Si<4>,2|C<3>,2|H<1>}	122.1860	0.000	1	122.2770	0.017	2	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[3])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[3])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	121.5160	0.000	1	121.5160	0.000	1	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[4])(C[6a]C[6a]Br)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[4])(C[6a]C[6a]Br){2|C<3>,2|C<4>,4|H<1>}	123.5200	0.000	1	123.5200	0.000	1	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|N<3>,2|C<4>,3|H<1>}	122.7050	0.949	3	122.2306	0.521	67	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	120.9575	0.913	2	122.2306	0.521	67	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	121.9380	0.000	1	122.2306	0.521	67	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|F<1>,1|O<2>,2|C<4>,3|H<1>}	121.5990	0.000	1	122.2306	0.521	67	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	122.1593	0.341	8	122.2306	0.521	67	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	122.0583	0.289	4	122.2306	0.521	67	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	121.8010	0.000	1	122.2306	0.521	67	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	122.6940	0.030	2	122.2306	0.521	67	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	122.5375	0.643	2	122.2306	0.521	67	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	122.0162	0.779	6	122.2306	0.521	67	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	122.5287	0.541	3	122.2306	0.521	67	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	121.7697	1.417	6	122.2306	0.521	67	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	122.5280	0.000	1	122.2306	0.521	67	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	121.6120	0.000	1	122.2306	0.521	67	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|N<4>,2|C<3>,2|C<4>,3|H<1>}	121.9370	0.000	1	122.2306	0.521	67	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,4|C<3>}	122.3290	0.000	1	122.2306	0.521	67	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	122.6950	0.000	1	122.2306	0.521	67	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	121.8540	0.552	2	122.2306	0.521	67	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	122.1113	0.622	3	122.2306	0.521	67	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	121.8893	0.199	3	122.2306	0.521	67	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	122.6610	0.000	1	122.2306	0.521	67	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	122.8041	0.452	12	122.2306	0.521	67	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	122.7830	0.000	1	122.2306	0.521	67	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	121.9040	0.000	1	122.2306	0.521	67	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	121.8200	0.000	1	122.1464	0.144	14	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	122.0230	0.000	1	122.1464	0.144	14	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	122.1470	0.509	2	122.1464	0.144	14	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	122.4255	0.537	4	122.1464	0.144	14	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|Cl<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	122.0410	0.066	2	122.1464	0.144	14	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	122.1040	0.000	1	122.1464	0.144	14	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	122.3700	0.000	1	122.1464	0.144	14	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	121.7040	0.000	1	122.1464	0.144	14	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	121.9510	0.000	1	122.1464	0.144	14	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]F)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|F<1>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]F){1|C<4>,2|H<1>,4|C<3>}	122.8790	0.000	1	122.8790	0.000	1	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	122.2690	0.000	1	122.1758	0.671	35	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	122.1595	0.227	4	122.1758	0.671	35	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|P<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|P<4>,2|H<1>,3|C<3>}	121.8610	0.000	1	122.1758	0.671	35	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|P<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,1|P<4>,3|C<3>}	121.3190	0.000	1	122.1758	0.671	35	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	122.9822	0.296	5	122.1758	0.671	35	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	123.0351	0.664	7	122.1758	0.671	35	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	121.3830	0.000	1	122.1758	0.671	35	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	121.9310	0.000	1	122.1758	0.671	35	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	121.5380	0.000	1	122.1758	0.671	35	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	121.3277	0.771	7	122.1758	0.671	35	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	121.9607	0.294	6	122.1758	0.671	35	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]O){1|C<4>,3|C<3>,3|H<1>}	122.7180	0.000	1	122.7180	0.000	1	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	121.8560	0.000	1	121.8560	0.000	1	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	122.0321	0.479	8	122.1023	0.308	86	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	121.6345	0.594	8	122.1023	0.308	86	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	122.4885	0.050	2	122.1023	0.308	86	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|P<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	122.3560	0.000	1	122.1023	0.308	86	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	122.5510	0.000	1	122.1023	0.308	86	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	122.1752	0.410	6	122.1023	0.308	86	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.4640	0.000	1	122.1023	0.308	86	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	121.9320	0.523	4	122.1023	0.308	86	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,3|H<1>}	122.1737	0.142	8	122.1023	0.308	86	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	121.5770	0.114	3	122.1023	0.308	86	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Ir<8>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Ir<8>,2|C<3>,2|H<1>}	122.0420	0.000	1	122.1023	0.308	86	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Pd<4>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	122.5540	0.339	2	122.1023	0.308	86	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Si<4>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Si<4>,1|C<2>,1|C<3>,2|H<1>}	123.5270	0.158	2	122.1023	0.308	86	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Si<4>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	121.7620	0.011	2	122.1023	0.308	86	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Si<4>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	121.5770	0.000	1	122.1023	0.308	86	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Si<4>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Cl<1>,1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	121.7698	0.281	4	122.1023	0.308	86	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	123.4280	0.000	1	122.1023	0.308	86	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<2>,2|C<3>,2|H<1>}	124.1270	0.000	1	122.1023	0.308	86	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	122.0819	0.414	23	122.1023	0.308	86	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.2813	0.365	6	122.1023	0.308	86	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	121.7060	0.000	1	122.1023	0.308	86	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<2>,1|C<3>,1|I<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	123.5780	0.000	1	122.3013	1.018	4	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|I<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	122.3510	0.000	1	122.3013	1.018	4	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|I<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	121.6380	0.737	2	122.3013	1.018	4	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	122.4408	0.302	6	122.0590	0.248	20	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	121.3990	0.000	1	122.0590	0.248	20	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.6040	0.000	1	122.0590	0.248	20	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	122.7520	0.000	1	122.0590	0.248	20	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	121.4370	0.000	1	122.0590	0.248	20	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	121.8480	0.000	1	122.0590	0.248	20	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,3|H<1>}	121.3070	0.000	1	122.0590	0.248	20	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	121.6925	0.309	2	122.0590	0.248	20	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.5720	0.000	1	122.0590	0.248	20	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	122.2460	0.347	5	122.0590	0.248	20	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]O){1|C<3>,1|C<4>,3|H<1>}	123.0550	0.000	1	123.0550	0.000	1	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	121.4640	0.000	1	121.4640	0.000	1	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	121.8260	0.085	2	121.8260	0.007	2	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	121.2690	0.000	1	121.6837	0.130	3	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	121.8910	0.037	2	121.6837	0.130	3	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]P)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|P<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]P)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	122.0090	0.000	1	122.0090	0.000	1	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	122.3030	0.000	1	121.9646	0.095	7	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|S<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	122.2330	0.000	1	121.9646	0.095	7	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.8990	0.190	2	121.9646	0.095	7	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|S<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	121.9360	0.402	2	121.9646	0.095	7	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|S<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	121.5460	0.000	1	121.9646	0.095	7	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Si)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Si)(C[6a]C[6a]C){1|C<3>,1|C<4>,3|H<1>}	122.9620	0.000	1	122.9620	0.000	1	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Si)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Si<4>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Si)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	122.5936	0.326	7	122.5936	0.106	7	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6,6]C[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6,6]C[5a])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	121.8935	0.036	2	121.8935	0.001	2	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)(H){2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]N[6a]O){1|H<1>,2|C<3>,2|C<4>}	121.7102	0.230	6	121.7102	0.053	6	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|N<2>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]H){1|C<3>,1|C<4>,2|H<1>}	120.7265	0.057	2	120.7265	0.003	2	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]O[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]O[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]O[6a]C)(H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]O[6a]O){1|C<3>,1|C<4>,2|H<1>}	122.7020	0.000	1	122.7020	0.000	1	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a]C[6a])(H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,4|H<1>}	122.9500	0.000	1	122.9500	0.000	1	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,3|H<1>}	122.3388	0.650	4	122.3388	0.422	4	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,6]C[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,6]C[5a])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	122.8390	0.000	1	122.8390	0.000	1	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|Br<1>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|Br<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H){1|Br<1>,1|C<3>,3|H<1>}	121.5650	0.000	1	121.5650	0.000	1	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	122.2393	0.213	3	122.3728	0.045	6	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	122.3680	0.000	1	122.3728	0.045	6	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Br<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|Br<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,3|H<1>}	122.5710	0.000	1	122.3728	0.045	6	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Br<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	122.5800	0.000	1	122.3728	0.045	6	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	121.8830	0.000	1	121.8513	0.034	3	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	122.0190	0.000	1	121.8513	0.034	3	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	121.6520	0.000	1	121.8513	0.034	3	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Br<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	123.3070	0.000	1	123.3070	0.000	1	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Br<1>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|Br<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Br<1>,1|C<3>,3|H<1>}	121.9540	0.000	1	121.9540	0.000	1	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	122.6040	0.000	1	122.6937	0.161	6	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	122.0680	0.000	1	122.6937	0.161	6	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	123.3020	0.000	1	122.6937	0.161	6	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	122.6570	0.000	1	122.6937	0.161	6	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	122.8790	0.000	1	122.6937	0.161	6	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	122.6520	0.000	1	122.6937	0.161	6	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,4|H<1>}	122.9060	0.000	1	122.9060	0.000	1	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Se)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Se<2>,1|C<2>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Se)(C[6a]C[6a]H){1|C<3>,4|H<1>}	122.3630	0.000	1	122.3630	0.000	1	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C[5])(H){2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	123.6120	0.000	1	123.6120	0.000	1	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	122.8527	0.123	3	122.7586	0.040	5	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	122.6175	0.251	2	122.7586	0.040	5	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,4|H<1>}	122.7900	0.000	1	122.7900	0.000	1	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Cl<1>,1|C<3>,1|S<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,4|H<1>}	123.3190	0.000	1	123.3190	0.000	1	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]F)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|H<1>,2|C<3>,2|F<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]F){2|C<3>,3|H<1>}	123.2115	0.039	2	123.2115	0.002	2	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|F<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	122.6760	0.000	1	122.6760	0.000	1	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|F<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	122.0240	0.000	1	122.0240	0.000	1	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,5]C[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,5]C[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	121.6920	0.000	1	122.3990	0.366	4	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,5]C[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,5]C[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	122.6347	0.464	3	122.3990	0.366	4	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,6]C[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,6]C[5a])(C[6a]C[6a]H){1|Br<1>,1|N<3>,3|C<3>,3|H<1>}	122.9320	0.000	1	122.3923	0.468	3	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,6]C[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,6]C[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	122.6220	0.000	1	122.3923	0.468	3	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,6]C[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,6]C[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	121.6230	0.000	1	122.3923	0.468	3	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<4>,1|F<1>,2|H<1>,3|C<3>}	122.8965	0.707	4	122.3218	0.607	33	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	122.6585	0.665	2	122.3218	0.607	33	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	122.4522	0.341	4	122.3218	0.607	33	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<3>,3|H<1>}	122.3800	0.689	4	122.3218	0.607	33	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|Br<1>,3|C<3>,3|H<1>}	121.5320	0.000	1	122.3218	0.607	33	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	123.6680	0.000	1	122.3218	0.607	33	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	122.4150	0.000	1	122.3218	0.607	33	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|N<3>,2|C<3>,4|H<1>}	122.4856	0.302	5	122.3218	0.607	33	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|O<2>,2|C<3>,4|H<1>}	120.8755	2.058	2	122.3218	0.607	33	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){3|C<3>,4|H<1>}	122.4970	0.000	1	122.3218	0.607	33	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	122.0122	0.524	8	122.3218	0.607	33	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|C<3>,4|H<1>}	122.7150	0.000	1	123.0930	0.286	2	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|C<3>,4|H<1>}	123.4710	0.000	1	123.0930	0.286	2	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,4|H<1>}	122.9644	0.716	5	123.1955	0.430	8	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){2|C<3>,3|H<1>}	123.4450	0.371	2	123.1955	0.430	8	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,4|H<1>}	123.8520	0.000	1	123.1955	0.430	8	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]F)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|F<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]F){1|C<3>,4|H<1>}	122.3380	0.000	1	122.3380	0.000	1	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,3|H<1>}	122.4270	0.000	1	122.2668	0.374	690	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<2>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<2>,3|H<1>}	121.9730	0.000	1	122.2668	0.374	690	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	122.4420	0.000	1	122.2668	0.374	690	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|H<1>}	122.0200	0.606	3	122.2668	0.374	690	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|P<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|P<3>,3|H<1>}	121.8787	0.252	6	122.2668	0.374	690	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|P<4>,2|H<1>}	122.3800	0.000	1	122.2668	0.374	690	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|P<4>,3|H<1>}	122.2812	0.720	6	122.2668	0.374	690	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|S<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|S<3>,3|H<1>}	122.5970	0.000	1	122.2668	0.374	690	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|S<4>,3|H<1>}	122.3595	0.129	2	122.2668	0.374	690	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,3|H<1>}	122.1761	0.850	15	122.2668	0.374	690	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,3|H<1>}	122.5450	0.000	1	122.2668	0.374	690	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	121.5134	0.395	16	122.2668	0.374	690	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,3|H<1>}	121.8530	0.000	1	122.2668	0.374	690	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|F<1>,3|H<1>}	122.9930	0.000	1	122.2668	0.374	690	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|I<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|I<1>,3|H<1>}	121.6290	0.000	1	122.2668	0.374	690	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|H<1>}	122.2020	0.045	2	122.2668	0.374	690	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|H<1>}	121.6441	0.323	38	122.2668	0.374	690	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	122.1685	0.592	236	122.2668	0.374	690	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	122.3693	0.200	4	122.2668	0.374	690	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	121.7630	0.000	1	122.2668	0.374	690	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	122.5595	0.363	2	122.2668	0.374	690	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|F<1>,2|H<1>}	122.4260	0.074	3	122.2668	0.374	690	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	121.5609	0.429	8	122.2668	0.374	690	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	122.3449	0.430	83	122.2668	0.374	690	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|H<1>}	122.0791	0.634	7	122.2668	0.374	690	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	122.5260	0.000	1	122.2668	0.374	690	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	121.9150	0.399	2	122.2668	0.374	690	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|H<1>}	122.4470	0.183	4	122.2668	0.374	690	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	122.2610	0.000	1	122.2668	0.374	690	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	121.6930	0.884	2	122.2668	0.374	690	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.5920	0.000	1	122.2668	0.374	690	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	123.0031	0.625	11	122.2668	0.374	690	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	122.4191	0.593	63	122.2668	0.374	690	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<2>,3|H<1>}	123.5520	0.000	1	122.2668	0.374	690	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Pd<4>,1|C<3>,3|H<1>}	122.0433	0.310	4	122.2668	0.374	690	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Pd<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Pd<4>,1|C<3>,3|H<1>}	122.8430	0.000	1	122.2668	0.374	690	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<2>,2|H<1>}	122.7800	0.000	1	122.2668	0.374	690	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Se<2>,1|C<3>,3|H<1>}	122.8160	0.000	1	122.2668	0.374	690	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,3|H<1>}	122.4444	0.318	8	122.2668	0.374	690	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	121.7330	0.792	2	122.2668	0.374	690	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,3|H<1>}	122.0765	0.632	6	122.2668	0.374	690	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|F<1>,3|H<1>}	122.8657	0.244	3	122.2668	0.374	690	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|H<1>}	122.2165	0.677	4	122.2668	0.374	690	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	122.5949	0.468	107	122.2668	0.374	690	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	121.9040	0.000	1	122.2668	0.374	690	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	121.7190	0.000	1	122.2668	0.374	690	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	123.0510	0.000	1	122.2668	0.374	690	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	122.6285	0.896	23	122.2668	0.374	690	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]N){1|C<3>,1|O<2>,3|H<1>}	122.1560	0.000	1	123.6217	1.651	3	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]N){1|C<3>,4|H<1>}	124.3545	0.284	2	123.6217	1.651	3	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O){1|C<3>,4|H<1>}	122.7354	0.487	10	122.8280	0.308	11	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O){1|C<3>,4|H<1>}	123.7540	0.000	1	122.8280	0.308	11	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]S)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]S){1|C<3>,4|H<1>}	122.0710	0.093	2	122.0710	0.009	2	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[4])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[4])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	122.9110	0.000	1	122.9110	0.000	1	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>,4|H<1>}	122.1190	0.000	1	122.3864	0.370	105	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	121.5970	0.000	1	122.3864	0.370	105	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	122.1520	0.000	1	122.3864	0.370	105	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<2>,1|C<3>,2|C<4>,4|H<1>}	122.1200	0.000	1	122.3864	0.370	105	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	121.9470	0.013	2	122.3864	0.370	105	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|I<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|I<1>,2|C<4>,4|H<1>}	120.4200	0.000	1	122.3864	0.370	105	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	121.7690	0.000	1	122.3864	0.370	105	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	121.6150	0.000	1	122.3864	0.370	105	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<2>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	122.4200	0.000	1	122.3864	0.370	105	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	122.1750	0.288	2	122.3864	0.370	105	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	122.2157	0.553	3	122.3864	0.370	105	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	122.0782	0.225	4	122.3864	0.370	105	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	122.6150	0.054	2	122.3864	0.370	105	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	121.9500	0.000	2	122.3864	0.370	105	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	122.1890	0.456	8	122.3864	0.370	105	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	122.8157	0.238	10	122.3864	0.370	105	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,5|H<1>}	122.6030	0.000	1	122.3864	0.370	105	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	122.4857	0.564	8	122.3864	0.370	105	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,4|H<1>}	122.4230	0.015	3	122.3864	0.370	105	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|S<2>,3|C<3>,4|H<1>}	122.3560	0.000	1	122.3864	0.370	105	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	122.3518	0.230	4	122.3864	0.370	105	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	122.2900	0.000	1	122.3864	0.370	105	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	122.0659	0.428	11	122.3864	0.370	105	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	122.6565	0.548	2	122.3864	0.370	105	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<4>,2|C<4>,4|H<1>}	122.0020	0.301	4	122.3864	0.370	105	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	123.2530	0.069	2	122.3864	0.370	105	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	123.4770	0.000	1	122.3864	0.370	105	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	123.4050	0.000	1	122.3864	0.370	105	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	122.3560	0.000	1	122.3864	0.370	105	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	122.7435	0.364	2	122.3864	0.370	105	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	123.2280	0.000	1	122.3864	0.370	105	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,2|N<3>,4|H<1>}	122.5700	0.000	1	122.3864	0.370	105	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	122.1590	0.000	1	122.3864	0.370	105	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	122.2073	0.061	3	122.3864	0.370	105	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,4|H<1>}	122.5264	0.239	5	122.3864	0.370	105	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){3|C<3>,4|H<1>}	122.9314	1.165	9	122.3864	0.370	105	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	121.8400	0.345	2	122.3864	0.370	105	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]C){1|C<3>,2|C<4>,5|H<1>}	123.3170	0.000	1	123.3170	0.000	1	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>,4|H<1>}	121.9190	0.000	1	122.2071	0.386	46	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	122.0580	0.000	1	122.2071	0.386	46	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<3>,4|H<1>}	121.9920	0.000	1	122.2071	0.386	46	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|Br<1>,3|C<3>,4|H<1>}	122.3495	0.312	2	122.2071	0.386	46	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	122.2180	0.000	1	122.2071	0.386	46	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){2|C<3>,2|N<3>,4|H<1>}	122.7400	0.000	1	122.2071	0.386	46	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	122.3270	0.000	1	122.2071	0.386	46	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	122.7820	0.000	1	122.2071	0.386	46	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	122.3162	0.308	4	122.2071	0.386	46	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	121.7258	1.139	8	122.2071	0.386	46	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,5|H<1>}	122.4352	0.296	6	122.2071	0.386	46	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,5|H<1>}	122.4190	0.000	1	122.2071	0.386	46	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){3|C<3>,5|H<1>}	122.4857	0.147	3	122.2071	0.386	46	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	121.8150	0.000	1	122.2071	0.386	46	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	122.6160	0.000	1	122.2071	0.386	46	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	121.8693	0.407	3	122.2071	0.386	46	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	121.9795	0.487	2	122.2071	0.386	46	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	122.0740	0.000	1	122.2071	0.386	46	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<3>,3|H<1>}	121.5720	0.000	1	122.2071	0.386	46	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,4|H<1>}	122.8243	0.471	4	122.2071	0.386	46	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){3|C<3>,4|H<1>}	122.1460	0.406	2	122.2071	0.386	46	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	122.3010	0.000	1	122.3840	0.158	49	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	122.3879	0.265	9	122.3840	0.158	49	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|H<1>,3|C<3>}	122.7005	0.381	2	122.3840	0.158	49	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|Br<1>,3|C<3>,3|H<1>}	121.8680	0.000	1	122.3840	0.158	49	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	122.5110	0.000	1	122.3840	0.158	49	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,4|H<1>}	122.6460	0.000	1	122.3840	0.158	49	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	122.5288	0.391	17	122.3840	0.158	49	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	122.2503	0.386	6	122.3840	0.158	49	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|Br<1>,2|H<1>,4|C<3>}	122.4130	0.000	1	122.3840	0.158	49	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|F<1>,2|H<1>,4|C<3>}	122.1076	0.573	5	122.3840	0.158	49	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	122.2600	0.000	1	122.3840	0.158	49	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	122.2242	0.526	4	122.3840	0.158	49	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,4|C<3>}	122.0160	0.000	1	122.0160	0.000	1	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<2>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<3>,4|H<1>}	122.7170	0.000	1	122.5395	0.063	2	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<3>,4|H<1>}	122.3620	0.000	1	122.5395	0.063	2	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	122.0150	0.000	1	122.1343	0.221	78	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	122.2050	0.000	1	122.1343	0.221	78	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	122.5180	0.000	1	122.1343	0.221	78	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	121.7060	0.131	3	122.1343	0.221	78	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|H<1>}	122.9490	0.143	3	122.1343	0.221	78	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|N<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|N<4>,3|H<1>}	122.0220	0.686	3	122.1343	0.221	78	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|S<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|S<2>,3|H<1>}	122.4730	0.000	1	122.1343	0.221	78	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	121.9170	0.397	3	122.1343	0.221	78	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|H<1>}	122.1317	0.670	3	122.1343	0.221	78	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,3|H<1>}	121.7804	0.576	5	122.1343	0.221	78	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,4|H<1>}	122.5790	0.000	1	122.1343	0.221	78	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|H<1>}	123.1230	0.000	1	122.1343	0.221	78	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|H<1>}	122.0647	0.118	3	122.1343	0.221	78	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|F<1>,2|C<3>,2|H<1>}	122.1335	0.088	2	122.1343	0.221	78	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	121.9776	0.311	7	122.1343	0.221	78	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,3|H<1>}	122.1544	0.448	40	122.1343	0.221	78	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|O<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,3|H<1>}	122.3520	0.419	2	122.3520	0.175	2	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|I<1>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|H<1>}	122.3140	0.000	1	122.3140	0.000	1	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|N<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,4|H<1>}	122.4830	0.210	4	122.1742	0.426	24	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|N<3>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,1|S<4>,3|H<1>}	122.4320	0.000	2	122.1742	0.426	24	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,3|H<1>}	122.5104	0.724	9	122.1742	0.426	24	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|F<1>,2|C<3>,2|H<1>}	121.8510	0.000	1	122.1742	0.426	24	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,3|H<1>}	121.6175	0.439	8	122.1742	0.426	24	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	121.4800	0.000	1	121.4868	0.117	5	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){2|C<3>,3|H<1>}	121.4885	0.394	4	121.4868	0.117	5	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]P)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]P)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	122.6800	0.000	1	123.0237	0.109	3	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]P)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|P<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]P)(C[6a]C[6a]H){1|C<3>,4|H<1>}	123.0510	0.000	1	123.0237	0.109	3	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]P)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|P<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]P)(C[6a]C[6a]H){2|C<3>,3|H<1>}	123.3400	0.000	1	123.0237	0.109	3	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|S<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	122.3385	0.431	2	122.1894	0.149	19	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	122.8085	0.494	2	122.1894	0.149	19	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|N<3>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|H<1>}	121.8825	0.182	2	122.1894	0.149	19	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|S<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,4|H<1>}	121.9729	0.196	7	122.1894	0.149	19	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|S<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,4|H<1>}	122.3915	0.613	2	122.1894	0.149	19	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|H<1>,2|S<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|S<2>,3|H<1>}	122.2740	0.000	1	122.1894	0.149	19	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){2|C<3>,3|H<1>}	122.0465	0.016	2	122.1894	0.149	19	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){2|C<3>,3|H<1>}	122.5790	0.000	1	122.1894	0.149	19	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Se)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Se<2>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Se)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	121.4280	0.000	1	121.4470	0.001	2	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Se)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Se<2>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Se)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|H<1>}	121.4660	0.000	1	121.4470	0.001	2	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	122.5630	0.272	2	122.5630	0.074	2	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	123.7990	0.000	1	122.8240	0.393	5	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	122.6190	0.000	1	122.8240	0.393	5	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	122.3215	0.142	2	122.8240	0.393	5	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	123.0590	0.000	1	122.8240	0.393	5	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	122.6570	0.000	1	122.6570	0.000	1	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	122.7220	0.000	1	122.7220	0.000	1	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|H<1>,2|C<3>,2|O<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]O){2|C<3>,3|H<1>}	123.4120	0.000	1	123.4120	0.000	1	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|N<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]H){2|C<3>,2|H<1>}	120.4860	0.000	1	120.4860	0.000	1	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]N){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.8825	0.018	2	122.4830	0.524	4	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]N){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	122.8290	0.000	1	122.4830	0.524	4	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]N){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	123.3380	0.000	1	122.4830	0.524	4	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]N){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	123.3880	0.000	1	123.3880	0.000	1	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]N){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|H<1>}	122.5530	0.000	1	122.9710	0.349	2	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]N){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	123.3890	0.000	1	122.9710	0.349	2	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]O){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	122.9290	0.000	1	122.9290	0.000	1	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]O){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	123.6920	0.000	1	123.8250	0.035	2	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]O){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	123.9580	0.000	1	123.8250	0.035	2	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H){1|H<1>,1|P<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|P<4>,3|H<1>}	121.5613	0.311	3	121.5613	0.097	3	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|P<3>,1|P<4>,2|H<1>}	121.1600	0.000	1	121.7592	0.238	25	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|P<4>}	121.6962	0.413	21	121.7592	0.238	25	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	122.4000	0.557	3	121.7592	0.238	25	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|P<4>,3|H<1>}	122.3924	0.452	8	122.2589	0.174	16	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|P<3>,2|C<3>,2|H<1>}	122.3610	0.341	4	122.2589	0.174	16	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	121.8900	0.191	4	122.2589	0.174	16	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	121.6990	0.000	1	121.6990	0.000	1	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	121.4600	0.000	1	121.4600	0.000	1	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|S<4>,3|H<1>}	123.1160	0.066	2	123.1160	0.004	2	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	122.4410	0.000	1	122.4410	0.000	1	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|N<3>,1|S<4>,2|C<3>,3|H<1>}	122.2020	0.000	1	122.3110	0.024	2	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|N<3>,1|S<4>,2|H<1>,3|C<3>}	122.4200	0.000	1	122.3110	0.024	2	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	121.3583	0.559	10	121.3583	0.313	10	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,1|S<4>,3|H<1>}	121.8900	0.000	1	122.2908	2.532	4	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,1|S<4>,3|H<1>}	123.5970	0.000	1	122.2908	2.532	4	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	120.2070	0.000	1	122.2908	2.532	4	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,1|S<4>,3|H<1>}	123.4690	0.000	1	122.2908	2.532	4	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|S<4>,2|H<1>}	121.2970	0.000	1	122.0187	0.382	114	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	121.5714	0.434	5	122.0187	0.382	114	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<2>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|S<4>,3|H<1>}	121.9880	0.000	1	122.0187	0.382	114	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	120.9965	0.276	2	122.0187	0.382	114	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|S<2>,1|S<4>,2|H<1>}	121.9530	0.000	1	122.0187	0.382	114	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|S<4>,3|H<1>}	122.4513	0.416	7	122.0187	0.382	114	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<4>,2|H<1>}	121.4095	0.305	2	122.0187	0.382	114	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	121.7938	0.474	26	122.0187	0.382	114	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	121.4720	0.000	1	122.0187	0.382	114	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	121.1700	0.000	1	122.0187	0.382	114	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	122.1082	0.487	29	122.0187	0.382	114	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	121.7665	0.502	12	122.0187	0.382	114	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,1|S<4>}	121.4360	0.071	2	122.0187	0.382	114	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|S<4>,3|H<1>}	122.8642	0.626	13	122.0187	0.382	114	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	122.1225	0.492	11	122.0187	0.382	114	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[4])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[4])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	122.5845	0.314	4	122.5845	0.099	4	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|Br<1>,1|S<4>,2|H<1>,4|C<3>}	122.0740	0.000	1	122.3404	0.470	7	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	122.0980	0.000	1	122.3404	0.470	7	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	122.5120	0.000	1	122.3404	0.470	7	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|S<4>,3|C<3>,4|H<1>}	122.5980	0.000	1	122.3404	0.470	7	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|S<4>,3|H<1>,4|C<3>}	123.6800	0.000	1	122.3404	0.470	7	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	121.7105	0.088	2	122.3404	0.470	7	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	123.1315	0.152	2	122.7182	0.314	9	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,1|S<4>,3|H<1>}	122.3850	0.806	2	122.7182	0.314	9	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|S<4>,4|H<1>}	122.2165	0.510	2	122.7182	0.314	9	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	122.5690	0.000	1	122.7182	0.314	9	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	123.2200	0.000	1	122.7182	0.314	9	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	123.2090	0.000	1	122.7182	0.314	9	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	122.0737	0.160	3	122.3228	0.326	12	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,1|S<4>,2|H<1>,3|C<3>}	123.0470	0.092	2	122.3228	0.326	12	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,1|S<4>,2|C<3>,3|H<1>}	122.6500	0.000	1	122.3228	0.326	12	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,1|S<4>,2|C<3>,3|H<1>}	123.1070	0.000	1	122.3228	0.326	12	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	122.1710	0.000	1	122.3228	0.326	12	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	121.9078	0.536	4	122.3228	0.326	12	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|Cl<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	121.6490	0.000	1	121.6490	0.000	1	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	120.2530	0.000	1	120.2530	0.000	1	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	121.7882	0.487	10	121.8150	0.273	22	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|S<4>,2|H<1>}	121.8720	0.000	1	121.8150	0.273	22	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|S<4>,2|H<1>}	122.4240	0.000	1	121.8150	0.273	22	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	121.8787	0.940	3	121.8150	0.273	22	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	121.7223	0.527	6	121.8150	0.273	22	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	121.7820	0.000	1	121.8150	0.273	22	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,1|I<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	121.0140	0.000	1	121.1125	0.019	2	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,2|H<1>,2|I<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H){1|C<3>,1|I<1>,1|S<4>,2|H<1>}	121.2110	0.000	1	121.1125	0.019	2	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,1|S<4>,3|H<1>}	122.1780	0.000	1	121.9277	0.113	3	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	121.8025	0.363	2	121.9277	0.113	3	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	122.9730	0.000	1	122.9730	0.000	1	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	122.4990	0.000	1	122.4990	0.000	1	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	121.5630	0.331	8	121.5155	0.085	14	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|S<4>,2|H<1>}	121.4650	0.000	1	121.5155	0.085	14	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	121.2995	0.100	2	121.5155	0.085	14	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	121.5497	0.326	3	121.5155	0.085	14	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6,6]C[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6,6]C[5a])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	122.7640	0.000	1	122.7640	0.000	1	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|S<4>,3|H<1>}	122.9760	0.000	1	122.9760	0.000	1	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|O<2>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,1|S<4>}	121.9900	0.000	1	122.5030	0.526	2	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	123.0160	0.000	1	122.5030	0.526	2	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	121.5140	0.000	1	121.5140	0.000	1	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|Cl<1>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	122.5620	0.000	1	122.5620	0.000	1	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.7630	0.000	1	122.7630	0.000	1	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	122.6280	0.383	2	122.6280	0.147	2	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Br)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|Br<1>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Br)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	122.0850	0.000	1	122.0850	0.000	1	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	121.7130	0.635	2	122.4361	0.356	26	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	122.0410	0.000	1	122.4361	0.356	26	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	122.5416	0.586	21	122.4361	0.356	26	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	122.5050	0.000	1	122.4361	0.356	26	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	121.9930	0.000	1	122.4361	0.356	26	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	121.6115	0.018	2	121.6115	0.000	2	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|Cl<1>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	121.3310	0.241	5	121.4033	0.078	6	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|Cl<1>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	121.7650	0.000	1	121.4033	0.078	6	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|Cl<1>,1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	122.1280	0.717	2	122.1280	0.514	2	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]C){2|C<3>,2|H<1>}	122.3770	0.000	1	122.3770	0.000	1	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	122.4103	0.680	3	122.2072	0.317	19	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	122.2413	0.337	9	122.2072	0.317	19	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	122.0643	0.850	6	122.2072	0.317	19	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	122.1480	0.000	1	122.2072	0.317	19	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]O){1|C<3>,1|C<4>,2|H<1>}	121.9020	0.000	1	121.9220	0.001	2	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]O){1|C<3>,1|C<4>,2|H<1>}	121.9420	0.000	1	121.9220	0.001	2	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	120.9310	0.000	1	120.9310	0.000	1	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Pd)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|Pd<4>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Pd)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	123.3190	0.000	1	123.3190	0.000	1	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Br)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|Br<1>,1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Br)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	121.7320	1.018	3	121.8828	0.567	5	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Br)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|Br<1>,1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Br)(C[6a]C[6a]H){2|C<3>,2|H<1>}	122.1090	0.165	2	121.8828	0.567	5	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	122.9110	0.000	1	122.9110	0.000	1	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	122.0627	0.343	3	122.0725	0.079	4	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]H){2|C<3>,2|H<1>}	122.1020	0.000	1	122.0725	0.079	4	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	122.6032	0.083	5	122.5680	0.013	6	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	122.3920	0.000	1	122.5680	0.013	6	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|H<1>,2|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]N){2|C<3>,2|H<1>}	123.5200	0.000	1	123.5200	0.000	1	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6])(H){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	122.9600	0.000	1	122.9600	0.000	1	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	123.6140	0.626	2	123.6140	0.392	2	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|O<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]2){3|H<1>,4|C<3>}	121.9490	0.000	1	121.9490	0.000	1	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	122.1643	0.252	3	122.4520	0.295	6	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	122.7397	0.653	3	122.4520	0.295	6	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|Cl<1>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>}	121.6410	0.000	1	121.6410	0.000	1	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|H<1>}	122.0030	0.252	2	121.9533	0.039	3	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,3|H<1>}	121.8540	0.000	1	121.9533	0.039	3	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	122.5772	0.212	4	122.5772	0.045	4	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	121.0665	0.086	2	121.1717	0.037	3	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|C<3>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){1|C<3>,3|H<1>}	121.3820	0.000	1	121.1717	0.037	3	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	123.0650	0.000	1	123.0650	0.000	1	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	121.2600	0.693	2	121.2600	0.480	2	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]S)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|H<1>,1|S<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]S)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	122.3995	0.913	2	122.3995	0.833	2	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]N){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|N<3>}	122.4450	0.000	1	122.4450	0.000	1	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]S){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|C<3>,1|S<4>,2|H<1>}	122.3100	0.000	1	122.3100	0.000	1	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]S){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|N<2>,1|N<3>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>,1|S<4>}	122.3200	0.000	1	122.3200	0.000	1	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]S){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6])(H){1|H<1>,1|N<2>,1|S<4>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|S<4>,2|H<1>}	123.0720	0.000	1	123.0720	0.000	1	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]O[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]O[5a]O)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]O[5a]S){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|S<4>,2|C<3>,2|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]O[5a]O)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,1|S<4>}	122.0840	0.000	1	122.0840	0.000	1	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]S[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]S[5a]O)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]S[5a]C){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]S[5a]O)(C[6a]C[6a]H){2|C<3>,2|H<1>}	120.3110	0.000	1	120.3110	0.000	1	122.2356	0.424	2195	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]O[6])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|O<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]O[6])(C[5a]C[5a]H){1|C<4>,2|C<3>,3|H<1>}	122.2320	0.000	1	122.2320	0.000	1	122.4528	0.673	5	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(C[6a]C[6a]H)(N[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	122.2075	0.194	2	122.5080	0.877	4	122.4528	0.673	5	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(C[6a]C[6a]H)(N[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(C[5a]N[5a]H){1|N<3>,3|C<3>,3|H<1>}	122.8085	1.494	2	122.5080	0.877	4	122.4528	0.673	5	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]C){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	123.1902	0.369	8	123.1902	0.136	8	123.1902	0.136	8	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(C[5a]C[5a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|Br<1>,1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(C[5a]C[5a]O){1|O<2>,2|C<3>,2|H<1>}	122.2765	0.206	2	122.2765	0.042	2	122.8943	1.241	47	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|S<2>,2|C<3>,3|H<1>}	123.5520	0.000	1	123.5520	0.000	1	122.8943	1.241	47	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(C[5a]C[5a]H){2|C<3>,3|H<1>}	122.6520	0.000	1	122.6520	0.000	1	122.8943	1.241	47	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[5])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[5])(C[5a]C[5a]C){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	122.7945	0.056	2	122.7945	0.003	2	122.8943	1.241	47	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C){1|C<2>,2|C<3>,2|C<4>,3|H<1>}	123.6410	0.395	2	123.2589	0.808	10	122.8943	1.241	47	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C){1|C<4>,3|H<1>,4|C<3>}	123.8325	0.592	2	123.2589	0.808	10	122.8943	1.241	47	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C){2|C<3>,2|C<4>,4|H<1>}	122.9795	0.384	2	123.2589	0.808	10	122.8943	1.241	47	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C){2|C<4>,3|C<3>,3|H<1>}	123.5520	0.369	3	123.2589	0.808	10	122.8943	1.241	47	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C){1|C<4>,3|C<3>,3|H<1>}	121.0270	0.000	1	123.2589	0.808	10	122.8943	1.241	47	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6])(C[5a]C[5a]H){1|C<3>,3|C<4>,3|H<1>}	121.6077	1.049	4	122.3570	1.141	8	122.8943	1.241	47	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6])(C[5a]C[5a]H){2|C<3>,2|C<4>,3|H<1>}	123.1063	0.257	4	122.3570	1.141	8	122.8943	1.241	47	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	123.5110	1.264	2	123.5110	1.598	2	122.8943	1.241	47	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]B[5])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|B<3>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]B[5])(C[5a]C[5a]H){1|C<3>,2|O<2>,4|H<1>}	122.7700	0.030	2	122.7700	0.001	2	122.8943	1.241	47	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(C[5a]C[5a]C){1|C<3>,4|H<1>}	123.7075	0.028	2	123.7075	0.001	2	122.8943	1.241	47	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[5])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[5])(C[5a]C[5a]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	123.0030	0.000	1	123.0030	0.000	1	122.8943	1.241	47	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C){1|C<4>,2|C<3>,5|H<1>}	123.0205	0.139	2	123.0205	0.019	2	122.8943	1.241	47	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]H){1|C<2>,1|C<3>,2|C<4>,4|H<1>}	123.3745	0.168	2	122.7773	1.084	3	122.8943	1.241	47	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	121.5830	0.000	1	122.7773	1.084	3	122.8943	1.241	47	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(C[5a]C[5a]C){1|C<3>,4|H<1>}	122.6360	5.028	2	123.1012	8.719	4	122.8943	1.241	47	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(C[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	123.5665	0.121	2	123.1012	8.719	4	122.8943	1.241	47	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(C[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Cl<1>,1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(C[5a]C[5a]S){1|C<3>,4|H<1>}	123.3420	0.000	1	123.3420	0.000	1	122.8943	1.241	47	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6]C[6a])(C[5a]C[5a]C){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	122.7990	0.000	1	122.7990	0.000	1	122.8943	1.241	47	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(C[5a]C[5a]C){1|C<3>,1|S<4>,3|H<1>}	123.0330	0.291	2	123.0330	0.085	2	122.8943	1.241	47	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	121.4875	0.275	2	121.4875	0.076	2	122.8943	1.241	47	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(C[5a]N[5a]H){1|C<3>,1|C<4>,2|H<1>}	123.3020	0.000	1	123.3020	0.000	1	122.8943	1.241	47	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|B<3>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|B<3>,1|C<3>,1|C<4>,2|H<1>}	120.6885	0.374	2	120.7446	0.178	179	121.0159	0.324	322	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	120.6342	0.272	18	120.7446	0.178	179	121.0159	0.324	322	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|C<3>,1|C<4>,1|C<5>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|C<3>,1|C<4>,1|C<5>,2|H<1>}	120.9690	0.320	4	120.7446	0.178	179	121.0159	0.324	322	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|C<3>,1|C<4>,1|C<6>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|C<3>,1|C<4>,1|C<6>,2|H<1>}	120.9885	0.141	2	120.7446	0.178	179	121.0159	0.324	322	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|C<3>,1|C<4>,3|H<1>}	120.8830	0.362	8	120.7446	0.178	179	121.0159	0.324	322	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|C<4>,2|C<3>,2|H<1>}	120.8380	0.246	58	120.7446	0.178	179	121.0159	0.324	322	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Co<3>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Co<3>,1|C<3>,1|C<4>,2|H<1>}	120.6361	0.594	8	120.7446	0.178	179	121.0159	0.324	322	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Co<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Co<4>,1|C<3>,1|C<4>,2|H<1>}	120.7320	0.105	2	120.7446	0.178	179	121.0159	0.324	322	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Co<5>,1|Co<6>,1|C<3>,1|C<4>,1|H<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<5>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Co<5>,1|Co<6>,1|C<3>,1|C<4>,1|H<2>,2|H<1>}	120.5140	0.512	2	120.7446	0.178	179	121.0159	0.324	322	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Co<5>,1|Co<6>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Co<5>,1|Co<6>,1|C<3>,1|C<4>,2|H<1>}	120.5110	0.247	2	120.7446	0.178	179	121.0159	0.324	322	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Ir<5>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Ir<5>,1|C<3>,1|C<4>,2|H<1>}	120.4402	0.499	16	120.7446	0.178	179	121.0159	0.324	322	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Ni<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Ni<4>,1|C<3>,1|C<4>,2|H<1>}	120.7673	0.309	18	120.7446	0.178	179	121.0159	0.324	322	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	120.9065	0.332	14	120.7446	0.178	179	121.0159	0.324	322	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Pt<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Pt<4>,1|C<3>,1|C<4>,2|H<1>}	120.7795	0.610	6	120.7446	0.178	179	121.0159	0.324	322	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Rh<5>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Rh<5>,1|C<3>,1|C<4>,2|H<1>}	120.6913	0.590	6	120.7446	0.178	179	121.0159	0.324	322	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Ru<5>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Ru<5>,1|C<3>,1|C<4>,2|H<1>}	120.9375	0.589	2	120.7446	0.178	179	121.0159	0.324	322	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Ru<7>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Ru<7>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.7645	0.196	2	120.7446	0.178	179	121.0159	0.324	322	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Ru<7>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Ru<7>,1|C<3>,1|C<4>,2|H<1>}	120.6210	0.618	2	120.7446	0.178	179	121.0159	0.324	322	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Ru<8>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Ru<8>,1|C<3>,1|C<4>,2|H<1>}	120.4772	1.230	6	120.7446	0.178	179	121.0159	0.324	322	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){2|Ru<9>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){2|Ru<9>,1|C<3>,1|C<4>,2|H<1>}	120.4920	0.000	1	120.7446	0.178	179	121.0159	0.324	322	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H){1|B<3>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H){2|C<3>,3|H<1>}	121.5290	0.230	5	121.5290	0.053	5	121.0159	0.324	322	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H){1|B<3>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H){1|B<3>,1|C<3>,3|H<1>}	120.9215	0.251	4	120.2910	0.542	11	121.0159	0.324	322	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H){2|C<3>,3|H<1>}	120.8285	0.443	2	120.2910	0.542	11	121.0159	0.324	322	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H){2|H<1>,3|C<3>}	119.5716	0.266	5	120.2910	0.542	11	121.0159	0.324	322	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|O<1>,2|C<3>,2|H<1>}	121.5050	0.000	1	121.5050	0.000	1	121.0159	0.324	322	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|O<1>,2|C<3>,2|H<1>}	122.4160	0.003	2	121.8824	0.239	5	121.0159	0.324	322	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|O<1>,1|S<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|O<1>,2|C<3>,2|H<1>}	121.5267	0.061	3	121.8824	0.239	5	121.0159	0.324	322	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|O<1>,2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	121.3680	0.000	1	121.3680	0.000	1	121.0159	0.324	322	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	121.4623	0.226	3	121.4623	0.051	3	121.0159	0.324	322	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	121.9460	0.000	1	121.9460	0.000	1	121.0159	0.324	322	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	121.2610	0.000	1	121.2610	0.000	1	121.0159	0.324	322	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	121.3320	0.338	37	121.3733	0.136	55	121.0159	0.324	322	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	121.9750	0.663	2	121.3733	0.136	55	121.0159	0.324	322	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	121.2507	0.477	3	121.3733	0.136	55	121.0159	0.324	322	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|O<1>,2|C<3>,2|H<1>}	121.3003	0.310	6	121.3733	0.136	55	121.0159	0.324	322	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	121.5520	0.399	6	121.3733	0.136	55	121.0159	0.324	322	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|O<1>,2|C<3>,2|H<1>}	121.4320	0.000	1	121.3733	0.136	55	121.0159	0.324	322	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	121.3259	0.573	13	121.4312	0.241	22	121.0159	0.324	322	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	121.5220	0.336	6	121.4312	0.241	22	121.0159	0.324	322	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|O<1>,2|C<3>,2|H<1>}	121.7057	0.263	3	121.4312	0.241	22	121.0159	0.324	322	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	121.3130	0.221	2	121.3130	0.049	2	121.0159	0.324	322	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	121.4370	0.000	1	121.4370	0.000	1	121.0159	0.324	322	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]S)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]S)(H){1|C<4>,1|N<3>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|S<2>}	121.5935	0.120	2	121.5935	0.014	2	121.0159	0.324	322	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]C){1|C<3>,1|O<1>,3|H<1>}	123.0680	0.000	1	123.0680	0.000	1	121.0159	0.324	322	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	121.0080	0.000	1	121.2708	0.053	5	121.0159	0.324	322	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|O<1>,1|S<2>,2|C<3>,3|H<1>}	121.3365	0.204	4	121.2708	0.053	5	121.0159	0.324	322	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	121.7350	0.000	1	121.3878	0.270	17	121.0159	0.324	322	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,3|H<1>}	121.4062	0.564	13	121.3878	0.270	17	121.0159	0.324	322	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,3|H<1>}	121.1923	0.362	3	121.3878	0.270	17	121.0159	0.324	322	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|O<1>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|O<1>,3|H<1>}	121.3595	0.056	2	121.3595	0.003	2	121.0159	0.324	322	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|O<1>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|Cl<1>,1|C<3>,1|O<1>,2|H<1>}	121.2760	0.000	1	121.2760	0.000	1	121.0159	0.324	322	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,3|H<1>}	121.6233	0.258	6	121.6233	0.067	6	121.0159	0.324	322	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|Cl<1>,1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|O<1>,1|S<4>,2|H<1>}	122.1030	0.000	1	122.1030	0.000	1	121.0159	0.324	322	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Br<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	119.6550	0.000	1	120.6300	0.672	4	121.3334	0.579	23	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Ir<5>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|Ir<5>,1|C<4>,2|H<1>,3|C<3>}	120.7445	0.695	2	120.6300	0.672	4	121.3334	0.579	23	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Pt<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|Pt<4>,1|C<4>,2|H<1>,3|C<3>}	121.3760	0.000	1	120.6300	0.672	4	121.3334	0.579	23	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H){1|B<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|B<3>,1|N<2>,2|C<3>,3|H<1>}	120.8338	0.124	4	120.7724	0.030	5	121.3334	0.579	23	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	120.5270	0.000	1	120.7724	0.030	5	121.3334	0.579	23	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	121.3060	0.000	1	121.3060	0.000	1	121.3334	0.579	23	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,1|N<2>,1|O<1>,2|H<1>,4|C<3>}	122.3320	0.000	1	122.3320	0.000	1	121.3334	0.579	23	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	121.1720	0.000	1	121.1720	0.000	1	121.3334	0.579	23	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	122.3390	0.000	1	122.3390	0.000	1	121.3334	0.579	23	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[3])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[3])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	121.6490	0.000	1	121.6490	0.000	1	121.3334	0.579	23	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	122.6850	0.000	1	122.6850	0.000	1	121.3334	0.579	23	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	121.7720	0.224	3	121.6005	0.360	8	121.3334	0.579	23	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	121.4976	0.755	5	121.6005	0.360	8	121.3334	0.579	23	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[6,6a]C[6,6a]C[4,6])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[6,6a]C[6,6a]C[4,6])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	123.1240	0.000	1	123.1240	0.000	1	123.1240	0.000	1	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a]){2|H<1>,7|C<3>}	123.0230	0.000	1	122.8185	0.084	2	123.2973	0.234	8	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a]){3|H<1>,6|C<3>}	122.6140	0.000	1	122.8185	0.084	2	123.2973	0.234	8	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|O<2>,3|C<3>,3|H<1>}	123.6520	0.000	1	123.6520	0.000	1	123.2973	0.234	8	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){3|H<1>,4|C<3>}	123.0220	0.000	1	123.0220	0.000	1	123.2973	0.234	8	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]N){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a]){1|N<3>,2|H<1>,6|C<3>}	123.4150	0.569	2	123.4150	0.323	2	123.2973	0.234	8	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]N){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O){1|N<3>,2|H<1>,4|C<3>}	123.2080	0.000	1	123.2080	0.000	1	123.2973	0.234	8	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]O){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){1|O<2>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	124.0290	0.000	1	124.0290	0.000	1	123.2973	0.234	8	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]N[6a]H)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)(N[5a]N[5a]C){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]N[6a]H)(O){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	120.3010	0.000	1	120.3010	0.000	1	120.3010	0.000	1	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]C)(O)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]C)(O){1|H<1>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	126.4770	0.000	1	126.4770	0.000	1	126.3005	0.062	2	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]C)(O)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a]H){1|C<4>,1|S<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]C)(O){1|H<1>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	126.1240	0.000	1	126.1240	0.000	1	126.3005	0.062	2	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[4,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[4,5a]C[4,5a]C[4])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[4,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[4,5a]C[6a])(C[5a]C[4,5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[4,5a]C[4,5a]C[4])(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[4,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[4,5a]C[6a])(C[5a]C[4,5a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	122.5370	0.000	1	122.5370	0.000	1	122.5370	0.000	1	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	123.5220	0.000	1	123.5220	0.000	1	122.7732	0.459	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]Br)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]Br)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	122.0710	0.000	1	122.0710	0.000	1	122.7732	0.459	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|B<4>,1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|B<4>,1|H<1>,1|O<2>,2|C<3>}	122.2895	0.124	2	122.8229	0.339	23	122.7732	0.459	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<2>,1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	122.6245	0.070	2	122.8229	0.339	23	122.7732	0.459	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	123.3320	0.000	1	122.8229	0.339	23	122.7732	0.459	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	122.9160	0.000	1	122.8229	0.339	23	122.7732	0.459	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	123.4060	0.000	1	122.8229	0.339	23	122.7732	0.459	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	122.6890	0.089	2	122.8229	0.339	23	122.7732	0.459	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	124.4510	0.000	1	122.8229	0.339	23	122.7732	0.459	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	122.8040	0.000	1	122.8229	0.339	23	122.7732	0.459	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	123.1030	0.196	3	122.8229	0.339	23	122.7732	0.459	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	122.6113	0.588	9	122.8229	0.339	23	122.7732	0.459	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	122.9700	0.000	1	122.9700	0.000	1	122.7732	0.459	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	123.5846	0.353	5	123.2430	0.532	11	122.7732	0.459	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	124.2300	0.000	1	123.2430	0.532	11	122.7732	0.459	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	122.2310	0.000	1	123.2430	0.532	11	122.7732	0.459	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	123.1473	0.362	3	123.2430	0.532	11	122.7732	0.459	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	121.8470	0.000	1	123.2430	0.532	11	122.7732	0.459	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]Cl)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]Cl)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	122.4500	0.000	1	121.7877	0.142	6	122.7732	0.459	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]Cl)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]Cl)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	121.6620	0.288	3	121.7877	0.142	6	122.7732	0.459	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]Cl)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]Cl)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	121.5470	0.000	1	121.7877	0.142	6	122.7732	0.459	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]Cl)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>,3|C<4>}	121.7430	0.000	1	121.7877	0.142	6	122.7732	0.459	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	123.0295	0.129	2	122.6953	0.239	15	122.7732	0.459	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	122.4960	0.000	1	122.6953	0.239	15	122.7732	0.459	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	123.3485	0.380	2	122.6953	0.239	15	122.7732	0.459	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	122.8960	0.000	1	122.6953	0.239	15	122.7732	0.459	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	122.3650	0.258	3	122.6953	0.239	15	122.7732	0.459	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	122.4250	0.000	1	122.6953	0.239	15	122.7732	0.459	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	123.0620	0.000	1	122.6953	0.239	15	122.7732	0.459	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.7530	0.395	2	122.6953	0.239	15	122.7732	0.459	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){2|Se<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){1|Se<2>,2|C<3>,2|H<1>}	122.0965	0.697	2	122.6953	0.239	15	122.7732	0.459	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]O)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	123.3040	0.000	1	123.3040	0.000	1	122.7732	0.459	59	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<2>,2|C<3>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	122.3570	0.000	1	122.3570	0.000	1	121.9825	0.281	2	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|S<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	121.6080	0.000	1	121.6080	0.000	1	121.9825	0.281	2	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[5,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[5,6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[5,6a]H){1|N<2>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[5,6a]H){1|H<1>,1|O<2>,3|C<3>}	122.9280	0.000	1	122.9280	0.000	1	122.9280	0.000	1	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[5a])(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[5a,6a]H){1|H<1>,1|N<2>,1|N<3>,2|F<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[5a])(H){1|B<4>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[5a,6a]H){1|B<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	124.2090	0.091	2	124.2090	0.008	2	124.2090	0.008	2	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]B[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]B[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	120.6240	0.000	1	120.6240	0.000	1	122.0731	0.263	23	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	121.7030	0.000	1	122.1390	0.171	22	122.0731	0.263	23	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	122.5520	0.000	1	122.1390	0.171	22	122.0731	0.263	23	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	122.4070	0.000	1	122.1390	0.171	22	122.0731	0.263	23	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	122.2947	0.166	6	122.1390	0.171	22	122.0731	0.263	23	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	122.2398	0.476	6	122.1390	0.171	22	122.0731	0.263	23	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	122.1220	0.000	1	122.1390	0.171	22	122.0731	0.263	23	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	122.3880	0.016	2	122.1390	0.171	22	122.0731	0.263	23	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	121.8170	0.151	2	122.1390	0.171	22	122.0731	0.263	23	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	121.3285	0.118	2	122.1390	0.171	22	122.0731	0.263	23	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H){1|N<3>,2|C<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,1|C<4>,2|H<1>,3|C<3>}	120.9910	0.000	1	121.3321	0.700	7	121.5397	1.036	15	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,1|C<4>,2|H<1>,3|C<3>}	121.4990	0.761	2	121.3321	0.700	7	121.5397	1.036	15	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,1|C<4>,2|H<1>,3|C<3>}	122.3150	0.000	1	121.3321	0.700	7	121.5397	1.036	15	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	121.5570	0.000	1	121.3321	0.700	7	121.5397	1.036	15	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	121.6570	0.000	1	121.3321	0.700	7	121.5397	1.036	15	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,1|C<4>,2|H<1>,3|C<3>}	119.8070	0.000	1	121.3321	0.700	7	121.5397	1.036	15	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a,6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a,6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	122.4025	0.491	2	122.4025	0.242	2	121.5397	1.036	15	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	123.3070	0.000	1	121.2957	2.449	4	121.5397	1.036	15	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	121.7530	0.000	1	121.2957	2.449	4	121.5397	1.036	15	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]C[6])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	120.0615	0.211	2	121.2957	2.449	4	121.5397	1.036	15	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	121.4200	0.000	1	121.4200	0.000	1	121.5397	1.036	15	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]S[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]S[6])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	122.3630	0.000	1	122.3630	0.000	1	121.5397	1.036	15	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|B<3>,1|C<3>,1|C<4>,2|H<1>}	122.4917	0.060	4	122.4917	0.004	4	122.2362	0.351	90	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|F<1>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	121.3873	0.196	3	121.3873	0.038	3	122.2362	0.351	90	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]N)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	121.8163	0.147	7	121.7736	0.084	10	122.2362	0.351	90	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H){2|C<3>,2|F<1>,2|H<1>,2|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]N)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	121.6740	0.538	3	121.7736	0.084	10	122.2362	0.351	90	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]Br)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]Br)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	122.2465	0.705	2	122.2465	0.497	2	122.2362	0.351	90	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	121.5110	0.000	1	122.3373	0.435	33	122.2362	0.351	90	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	122.1260	0.000	1	122.3373	0.435	33	122.2362	0.351	90	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	122.5152	0.429	6	122.3373	0.435	33	122.2362	0.351	90	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	122.3255	0.415	2	122.3373	0.435	33	122.2362	0.351	90	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	122.7510	0.427	3	122.3373	0.435	33	122.2362	0.351	90	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	120.3460	0.000	1	122.3373	0.435	33	122.2362	0.351	90	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	122.5760	0.000	1	122.3373	0.435	33	122.2362	0.351	90	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	123.1645	1.158	2	122.3373	0.435	33	122.2362	0.351	90	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	122.6460	0.236	2	122.3373	0.435	33	122.2362	0.351	90	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	121.6970	0.117	2	122.3373	0.435	33	122.2362	0.351	90	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	121.8130	0.631	2	122.3373	0.435	33	122.2362	0.351	90	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.4670	0.000	1	122.3373	0.435	33	122.2362	0.351	90	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	122.7207	0.451	3	122.3373	0.435	33	122.2362	0.351	90	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	122.3725	0.574	4	122.3373	0.435	33	122.2362	0.351	90	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	121.9080	0.190	2	122.3373	0.435	33	122.2362	0.351	90	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|Br<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,5|C<3>}	121.8680	0.000	1	122.3083	0.125	7	122.2362	0.351	90	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	122.2037	0.318	3	122.3083	0.125	7	122.2362	0.351	90	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	122.3310	0.000	1	122.3083	0.125	7	122.2362	0.351	90	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	122.8350	0.000	1	122.3083	0.125	7	122.2362	0.351	90	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	122.5130	0.000	1	122.3083	0.125	7	122.2362	0.351	90	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]Cl)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	121.9580	0.000	1	121.9580	0.000	1	122.2362	0.351	90	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	121.8965	0.525	2	122.3218	0.346	30	122.2362	0.351	90	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	121.9627	0.428	4	122.3218	0.346	30	122.2362	0.351	90	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	122.4227	0.389	6	122.3218	0.346	30	122.2362	0.351	90	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.5330	0.000	1	122.3218	0.346	30	122.2362	0.351	90	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	122.6080	0.000	1	122.3218	0.346	30	122.2362	0.351	90	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	121.1965	0.285	2	122.3218	0.346	30	122.2362	0.351	90	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	122.3930	0.000	1	122.3218	0.346	30	122.2362	0.351	90	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	122.3305	0.090	4	122.3218	0.346	30	122.2362	0.351	90	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|N<2>,3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	122.7910	0.093	2	122.3218	0.346	30	122.2362	0.351	90	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.4390	0.061	2	122.3218	0.346	30	122.2362	0.351	90	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	123.4110	0.000	1	122.3218	0.346	30	122.2362	0.351	90	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	122.7960	0.000	1	122.3218	0.346	30	122.2362	0.351	90	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	123.6660	0.000	1	122.3218	0.346	30	122.2362	0.351	90	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){3|C<3>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	122.9080	0.000	1	122.3218	0.346	30	122.2362	0.351	90	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){3|C<3>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	121.9850	0.000	1	122.3218	0.346	30	122.2362	0.351	90	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a,6a]H)(H){1|B<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a,6]C[6a]){1|B<4>,2|H<1>,6|C<3>}	123.5080	0.000	1	123.5080	0.000	1	123.5080	0.000	1	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	120.6983	0.595	3	120.6983	0.354	3	120.6983	0.354	3	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a,6a]H)(H){1|B<4>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C){1|B<4>,2|H<1>,4|C<3>}	122.6527	0.142	3	122.6527	0.020	3	122.9495	0.366	4	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a]){2|H<1>,7|C<3>}	123.8400	0.000	1	123.8400	0.000	1	122.9495	0.366	4	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a,6a]C)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a,6a]C)(H){5|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C){2|H<1>,5|C<3>}	124.3340	0.000	1	124.3340	0.000	1	124.3340	0.000	1	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[5,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]Se[5])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[5,6a]H){1|Se<2>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]Se[5])(H){1|C<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H){1|C<4>,2|H<1>,4|C<3>}	122.4675	0.006	2	122.4675	0.000	2	122.7750	0.284	3	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[5,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[5,6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(H){8|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H){1|C<4>,1|H<1>,5|C<3>}	123.3900	0.000	1	123.3900	0.000	1	122.7750	0.284	3	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(H){1|N<3>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){1|N<3>,2|H<1>,4|C<3>}	122.7353	0.364	3	122.7996	0.074	5	122.7996	0.074	5	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(H){1|O<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){1|O<2>,2|H<1>,4|C<3>}	122.8960	0.003	2	122.7996	0.074	5	122.7996	0.074	5	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6,6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H){1|C<4>,2|H<1>,4|C<3>}	123.1730	0.000	1	123.1730	0.000	1	121.5902	1.258	5	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6,6a]H){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(H){1|C<4>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H){1|C<4>,2|H<1>,4|C<3>}	122.3050	0.000	1	122.3050	0.000	1	121.5902	1.258	5	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6,6])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6,6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6,6])(H){1|H<1>,3|C<3>,4|C<4>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H){1|C<4>,3|C<3>,3|H<1>}	120.9860	0.313	2	120.9860	0.098	2	121.5902	1.258	5	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6,6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	120.5010	0.000	1	120.5010	0.000	1	121.5902	1.258	5	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	123.1430	0.000	1	123.1430	0.000	1	123.1430	0.000	1	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]Br)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]Br){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br){1|Br<1>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|Br<1>,1|C<4>,1|H<1>,3|C<3>}	118.2760	0.694	3	118.2760	0.481	3	118.2760	0.481	3	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]Cl)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]Cl){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl){2|C<4>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|H<1>,5|C<4>}	119.4360	0.000	1	119.4360	0.000	1	119.4360	0.000	1	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]Cl)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]Cl){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){2|Cl<1>,1|C<4>,4|C<3>}	118.2970	0.000	1	118.2970	0.000	1	118.2970	0.000	1	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(F)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]F){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(F){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|F<1>,2|C<4>,4|H<1>}	119.8025	0.029	2	119.8025	0.001	2	119.8025	0.001	2	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Pt)(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]F)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Pt)(C[6a]C[6a]F){1|H<1>,2|C<3>,2|F<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F){1|Pt<4>,1|F<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]F){1|Pt<4>,2|C<3>,2|F<1>}	118.1400	0.000	1	118.1400	0.000	1	119.6336	2.978	5	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Pt)(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(F)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]F)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Pt)(C[6a]C[6a]F){1|F<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(F){1|Pt<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]F){1|Pt<4>,1|F<1>,1|H<1>,2|C<3>}	117.4310	0.000	1	117.4310	0.000	1	119.6336	2.978	5	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]F)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]F){1|N<2>,2|F<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F){1|F<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]F){2|C<3>,2|F<1>}	120.8657	0.370	3	120.8657	0.137	3	119.6336	2.978	5	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]B[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|B<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]B[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	123.2320	0.000	1	123.2320	0.000	1	121.9696	0.674	99	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	121.7750	0.000	1	121.5767	0.052	3	121.9696	0.674	99	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	121.4775	0.210	2	121.5767	0.052	3	121.9696	0.674	99	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	122.1030	0.000	1	122.1030	0.000	1	121.9696	0.674	99	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	121.9000	0.000	1	122.0034	0.359	22	121.9696	0.674	99	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|C<4>,3|H<1>}	121.2530	0.000	1	122.0034	0.359	22	121.9696	0.674	99	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|H<1>,5|C<4>}	121.4710	0.000	1	122.0034	0.359	22	121.9696	0.674	99	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	121.5290	0.000	1	122.0034	0.359	22	121.9696	0.674	99	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	121.7120	0.000	2	122.0034	0.359	22	121.9696	0.674	99	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|H<1>,4|C<4>}	123.8860	0.000	1	122.0034	0.359	22	121.9696	0.674	99	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	121.7930	0.385	2	122.0034	0.359	22	121.9696	0.674	99	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|H<1>,4|C<4>}	122.5010	0.000	1	122.0034	0.359	22	121.9696	0.674	99	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	122.7110	0.000	1	122.0034	0.359	22	121.9696	0.674	99	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	122.0720	0.218	2	122.0034	0.359	22	121.9696	0.674	99	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	121.6940	0.000	1	122.0034	0.359	22	121.9696	0.674	99	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	122.0520	0.157	2	122.0034	0.359	22	121.9696	0.674	99	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	121.7660	0.663	2	122.0034	0.359	22	121.9696	0.674	99	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	122.4725	0.052	2	122.0034	0.359	22	121.9696	0.674	99	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	122.1450	0.000	1	122.0034	0.359	22	121.9696	0.674	99	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	121.2500	0.000	1	122.0034	0.359	22	121.9696	0.674	99	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]P[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]P[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	121.7750	0.554	2	121.7750	0.307	2	121.9696	0.674	99	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|H<1>,5|C<4>}	122.3540	0.000	1	121.9690	0.311	8	121.9696	0.674	99	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|Si<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	121.9650	0.215	2	121.9690	0.311	8	121.9696	0.674	99	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|Si<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	122.3010	0.401	3	121.9690	0.311	8	121.9696	0.674	99	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|Si<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>,3|C<4>}	120.8420	0.000	1	121.9690	0.311	8	121.9696	0.674	99	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|Si<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,3|C<4>,4|C<3>}	121.7230	0.000	1	121.9690	0.311	8	121.9696	0.674	99	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|O<1>,2|H<1>,4|C<3>}	122.7330	0.000	1	122.7330	0.000	1	121.9696	0.674	99	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C[6a])(C[6a]C[6a]H){1|Si<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	123.9860	0.000	2	123.9860	0.000	2	121.9696	0.674	99	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	121.3780	0.000	1	121.3780	0.000	1	121.9696	0.674	99	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	120.9440	0.000	1	121.3880	0.394	2	121.9696	0.674	99	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	121.8320	0.000	1	121.3880	0.394	2	121.9696	0.674	99	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<3>,2|C<4>,5|H<1>}	123.0100	0.000	1	123.0100	0.000	1	121.9696	0.674	99	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	121.3970	0.000	1	121.8366	1.027	28	121.9696	0.674	99	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	121.7496	1.372	14	121.8366	1.027	28	121.9696	0.674	99	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	121.8985	0.541	4	121.8366	1.027	28	121.9696	0.674	99	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	121.7524	0.501	5	121.8366	1.027	28	121.9696	0.674	99	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	122.4360	0.000	1	121.8366	1.027	28	121.9696	0.674	99	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	122.4015	0.187	2	121.8366	1.027	28	121.9696	0.674	99	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	121.9380	0.000	1	121.8366	1.027	28	121.9696	0.674	99	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	122.9170	0.132	2	122.9170	0.017	2	121.9696	0.674	99	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5,6,6]C[5,5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5,6,6]C[5,5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>,3|C<4>}	121.7255	0.347	2	121.7255	0.121	2	121.9696	0.674	99	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<4>,2|C<4>,3|H<1>}	122.5140	0.000	1	122.3283	0.191	6	121.9696	0.674	99	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<4>,2|H<1>,3|C<4>}	122.6800	0.509	2	122.3283	0.191	6	121.9696	0.674	99	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	121.7180	0.000	1	122.3283	0.191	6	121.9696	0.674	99	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	122.1890	0.068	2	122.3283	0.191	6	121.9696	0.674	99	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	121.9420	0.000	1	121.9420	0.000	1	121.9696	0.674	99	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|S<4>,4|H<1>}	121.7840	0.000	1	122.0033	0.287	12	121.9696	0.674	99	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	121.8822	0.335	4	122.0033	0.287	12	121.9696	0.674	99	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|H<1>,4|C<4>}	121.1990	0.000	1	122.0033	0.287	12	121.9696	0.674	99	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|S<4>,3|H<1>}	122.4780	0.000	1	122.0033	0.287	12	121.9696	0.674	99	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|S<4>,2|C<4>,2|H<1>}	121.9070	0.010	2	122.0033	0.287	12	121.9696	0.674	99	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	122.1455	0.947	2	122.0033	0.287	12	121.9696	0.674	99	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	122.9450	0.000	1	122.0033	0.287	12	121.9696	0.674	99	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H){1|Si<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	120.8480	0.000	1	120.8480	0.000	1	121.9696	0.674	99	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|O<2>,1|S<4>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,1|S<4>,3|C<3>}	121.7040	0.000	1	121.7040	0.000	1	121.9696	0.674	99	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]Si)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]Si)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Si<4>,1|C<3>,2|C<4>,4|H<1>}	120.2310	0.000	2	120.2310	0.000	2	121.9696	0.674	99	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	121.9895	0.255	2	121.9895	0.065	2	121.8042	0.459	44	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.4480	0.000	1	122.1299	0.186	9	121.8042	0.459	44	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,4|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|S<2>,2|H<1>,3|C<3>}	121.3680	0.000	1	122.1299	0.186	9	121.8042	0.459	44	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|C<3>,3|H<1>}	122.2520	0.191	3	122.1299	0.186	9	121.8042	0.459	44	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	122.3760	0.123	3	122.1299	0.186	9	121.8042	0.459	44	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	122.4690	0.000	1	122.1299	0.186	9	121.8042	0.459	44	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.8890	0.000	1	121.2562	0.229	4	121.8042	0.459	44	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	121.9490	0.000	1	121.2562	0.229	4	121.8042	0.459	44	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	121.0935	0.138	2	121.2562	0.229	4	121.8042	0.459	44	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]O[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]O[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	122.3780	0.000	1	122.3780	0.000	1	121.8042	0.459	44	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	121.2991	0.251	7	121.2991	0.063	7	121.8042	0.459	44	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,2|N<3>,4|C<3>}	122.1170	0.000	1	122.1170	0.000	1	121.8042	0.459	44	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C[6a])(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	121.6440	0.064	2	121.6440	0.004	2	121.8042	0.459	44	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	122.5035	0.190	2	122.3813	0.111	6	121.8042	0.459	44	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,4|H<1>}	122.0440	0.000	1	122.3813	0.111	6	121.8042	0.459	44	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<2>,3|C<3>,3|H<1>}	122.4123	0.433	3	122.3813	0.111	6	121.8042	0.459	44	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	121.0983	0.140	3	121.3748	0.336	5	121.8042	0.459	44	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	121.7895	0.856	2	121.3748	0.336	5	121.8042	0.459	44	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]O[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]O[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,2|H<1>,3|C<3>}	121.0230	0.000	1	121.0505	0.002	2	121.8042	0.459	44	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]O[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]O[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	121.0780	0.000	1	121.0505	0.002	2	121.8042	0.459	44	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]O)(C[6a]C[6a]H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,1|S<2>,3|H<1>}	124.0630	0.000	1	124.0630	0.000	1	121.8042	0.459	44	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]S)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|F<1>,1|H<1>,1|N<3>,1|S<4>,3|C<3>}	122.0610	0.000	1	122.0610	0.000	1	121.8042	0.459	44	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]S)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,1|S<4>,2|C<3>,3|H<1>}	122.6110	0.000	1	121.9335	0.918	2	121.8042	0.459	44	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	121.2560	0.000	1	121.9335	0.918	2	121.8042	0.459	44	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]S)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	121.0810	0.000	1	121.0810	0.000	1	121.8042	0.459	44	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6,6]C[6a])(N[5a]C[5a,6,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6,6]C[5a,6,6]C[4x6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6,6]C[6a])(N[5a]C[5a,6,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6,6]C[5a,6,6]C[4x6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|H<1>,4|C<4>}	121.8750	0.000	1	121.8750	0.000	1	121.8750	0.000	1	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a,6])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a,6])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2){1|C<4>,1|H<1>,7|C<3>}	123.3575	0.815	2	123.3575	0.665	2	123.3575	0.665	2	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[3,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[3,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|C<5>,1|H<2>,1|N<3>,2|C<4>,2|H<1>}	121.9510	0.000	1	121.9510	0.000	1	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	121.1580	0.000	1	121.8523	0.448	3	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<2>,2|H<1>,3|C<4>}	122.4930	0.000	1	121.8523	0.448	3	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	121.9060	0.000	1	121.8523	0.448	3	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	122.1900	0.146	2	122.4478	0.070	6	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	122.3030	0.000	1	122.4478	0.070	6	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	122.6680	0.126	3	122.4478	0.070	6	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	122.0540	0.000	1	122.0540	0.000	1	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|C<3>,3|H<1>}	121.7880	0.000	1	121.9758	0.319	106	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	121.9750	0.000	1	121.9758	0.319	106	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	120.4650	0.000	1	121.9758	0.319	106	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	122.2170	0.385	5	121.9758	0.319	106	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|C<4>,3|H<1>}	122.2285	0.396	4	121.9758	0.319	106	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<2>,2|C<3>,3|H<1>}	122.0200	0.000	1	121.9758	0.319	106	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	121.6320	0.578	4	121.9758	0.319	106	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<3>,4|C<4>}	122.5960	0.000	1	121.9758	0.319	106	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|H<1>,3|C<4>}	122.0965	0.165	2	121.9758	0.319	106	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|F<1>,2|C<3>,2|H<1>,3|C<4>}	122.3910	0.000	1	121.9758	0.319	106	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|H<1>,5|C<4>}	122.7620	0.000	1	121.9758	0.319	106	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	122.1576	0.550	20	121.9758	0.319	106	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	122.3680	0.678	3	121.9758	0.319	106	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	121.6410	0.000	1	121.9758	0.319	106	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	121.9014	0.439	12	121.9758	0.319	106	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	122.4190	0.000	1	121.9758	0.319	106	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	121.9300	0.000	1	121.9758	0.319	106	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	121.6360	0.000	1	121.9758	0.319	106	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<2>,2|C<3>,2|C<4>,2|H<1>}	121.3020	0.000	1	121.9758	0.319	106	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	121.4335	0.374	6	121.9758	0.319	106	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	121.9420	0.417	5	121.9758	0.319	106	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	122.3810	0.000	1	121.9758	0.319	106	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	121.9555	0.513	2	121.9758	0.319	106	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	121.8960	0.000	1	121.9758	0.319	106	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	122.5580	0.000	1	121.9758	0.319	106	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	121.9688	0.542	4	121.9758	0.319	106	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	122.3503	0.171	3	121.9758	0.319	106	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,1|O<2>,3|C<4>}	121.1460	0.000	1	121.9758	0.319	106	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,2|C<4>,2|H<1>,3|C<3>}	121.1160	0.000	1	121.9758	0.319	106	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	121.4070	0.000	1	121.9758	0.319	106	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	121.9560	0.000	1	121.9758	0.319	106	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	121.9400	0.392	2	121.9758	0.319	106	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	121.0890	0.000	1	121.9758	0.319	106	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	122.4310	0.000	1	121.9758	0.319	106	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	122.6260	0.000	1	121.9758	0.319	106	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|C<4>,2|H<1>}	122.2000	0.000	1	121.9758	0.319	106	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	122.5550	0.000	1	121.9758	0.319	106	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	122.1820	0.000	1	121.9758	0.319	106	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	121.6440	1.613	3	121.9758	0.319	106	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	121.9225	0.552	2	121.9758	0.319	106	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	122.1233	0.199	3	121.9758	0.319	106	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	121.0030	0.000	1	121.9758	0.319	106	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]I)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|I<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]I){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	122.7450	0.000	1	122.7450	0.000	1	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|F<1>,1|H<1>,1|N<2>,2|C<3>,2|C<4>}	121.8640	0.000	1	121.7082	0.253	5	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	122.2010	0.000	1	121.7082	0.253	5	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	121.2645	0.542	2	121.7082	0.253	5	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	121.9470	0.000	1	121.7082	0.253	5	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	120.6990	0.000	1	120.6990	0.000	1	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	123.1730	0.000	1	122.5928	0.447	6	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	122.1080	0.252	2	122.5928	0.447	6	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){2|C<4>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	122.5470	0.000	1	122.5928	0.447	6	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	123.6060	0.000	1	122.5928	0.447	6	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	122.0150	0.000	1	122.5928	0.447	6	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]O){1|C<3>,3|C<4>,4|H<1>}	122.6472	0.194	4	122.6472	0.038	4	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C[4])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C[4])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|N<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	121.1670	0.000	1	121.1670	0.000	1	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C[5])(C[6a]C[6a]H){1|Hf<12>,1|C<3>,2|H<1>,4|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	122.8910	0.000	1	122.8910	0.000	1	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	121.8100	0.000	1	121.8100	0.000	1	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	123.2795	0.668	2	123.2795	0.447	2	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	121.7350	0.113	2	122.4423	2.610	4	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	124.8550	0.000	1	122.4423	2.610	4	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	121.4440	0.000	1	122.4423	2.610	4	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]Cu)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]Cu)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cu<2>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cu<2>,1|N<3>,2|C<3>,2|H<1>}	119.7830	0.000	1	119.7830	0.000	1	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	122.7770	0.000	1	122.7770	0.000	1	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	122.7650	0.098	2	122.7650	0.010	2	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	122.5690	0.759	2	122.5690	0.577	2	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	121.9740	0.000	1	121.9740	0.000	1	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	122.4850	0.000	1	122.4850	0.000	1	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5,6,6]C[5a,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5,6,6]C[5a,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	121.8430	0.000	1	121.8430	0.000	1	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	121.3290	0.000	1	122.1584	0.241	5	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	122.6200	0.000	1	122.1584	0.241	5	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	122.2590	0.117	2	122.1584	0.241	5	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	122.3250	0.000	1	122.1584	0.241	5	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	122.2366	0.285	8	122.2841	0.066	11	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	122.2790	0.000	1	122.2841	0.066	11	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	122.4860	0.000	1	122.2841	0.066	11	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	122.4670	0.000	1	122.2841	0.066	11	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	122.1970	0.000	1	122.1970	0.000	1	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	122.9390	0.000	1	122.0926	0.391	261	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|C<3>,4|H<1>}	121.8070	0.218	2	122.0926	0.391	261	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>,4|H<1>}	121.6484	0.551	13	122.0926	0.391	261	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	123.3760	0.000	1	122.0926	0.391	261	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|C<4>,4|H<1>}	122.4510	0.407	3	122.0926	0.391	261	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|F<1>,2|C<4>,4|H<1>}	122.4180	0.179	3	122.0926	0.391	261	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	121.5640	0.332	5	122.0926	0.391	261	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	121.6820	0.368	4	122.0926	0.391	261	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	122.4040	0.000	1	122.0926	0.391	261	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	122.2190	0.004	2	122.0926	0.391	261	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	122.1286	0.512	121	122.0926	0.391	261	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	122.1540	0.493	9	122.0926	0.391	261	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	122.1925	0.224	2	122.0926	0.391	261	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	121.4208	0.639	5	122.0926	0.391	261	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	121.7850	0.000	1	122.0926	0.391	261	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	122.7307	1.397	15	122.0926	0.391	261	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	122.0188	0.064	5	122.0926	0.391	261	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	121.5046	0.249	5	122.0926	0.391	261	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	121.4400	0.000	1	122.0926	0.391	261	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	121.8615	0.589	4	122.0926	0.391	261	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	122.5243	0.338	3	122.0926	0.391	261	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|S<1>,2|C<4>,3|H<1>}	122.9620	0.000	1	122.0926	0.391	261	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	122.8950	0.000	1	122.0926	0.391	261	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	121.8924	0.354	37	122.0926	0.391	261	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	121.9120	0.000	1	122.0926	0.391	261	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	122.4310	0.000	1	122.0926	0.391	261	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	122.4223	0.328	4	122.0926	0.391	261	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,4|H<1>}	122.0650	0.000	1	122.0926	0.391	261	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	122.1883	0.658	7	122.0926	0.391	261	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	123.1260	0.354	2	122.0926	0.391	261	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|C<3>,2|C<4>,5|H<1>}	122.6355	0.599	2	122.6355	0.359	2	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	121.6560	0.000	1	121.8314	0.050	8	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	121.8564	0.228	7	121.8314	0.050	8	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	122.8067	0.465	4	122.8047	0.155	8	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	122.8028	0.381	4	122.8047	0.155	8	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	123.2975	0.090	2	123.2975	0.008	2	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]Pd)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]Pd)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Pd<4>,1|B<4>,2|H<1>,3|C<3>}	119.2307	0.652	3	119.2307	0.426	3	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	122.3020	0.164	2	122.3020	0.027	2	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	121.9250	0.000	1	121.9250	0.000	1	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	121.5360	0.000	1	121.5360	0.000	1	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	122.9310	0.000	1	122.9310	0.000	1	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|N<3>,3|H<1>}	121.9850	0.000	1	122.1265	0.405	23	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,3|H<1>}	121.1435	0.568	2	122.1265	0.405	23	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|S<4>,2|C<4>,3|H<1>}	121.5580	0.000	1	122.1265	0.405	23	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|S<4>,2|C<4>,3|H<1>}	122.2740	0.000	1	122.1265	0.405	23	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|S<4>,2|C<4>,3|H<1>}	122.9650	0.000	1	122.1265	0.405	23	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<4>,2|C<4>,3|H<1>}	122.0360	0.000	2	122.1265	0.405	23	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	122.7807	0.389	4	122.1265	0.405	23	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|S<4>,3|C<4>,3|H<1>}	121.9190	0.536	3	122.1265	0.405	23	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	122.5220	0.000	1	122.1265	0.405	23	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|S<4>,2|C<4>,2|H<1>}	122.2080	0.501	2	122.1265	0.405	23	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	121.3975	0.054	2	122.1265	0.405	23	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	122.6920	0.000	1	122.1265	0.405	23	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	122.8940	0.000	1	122.1265	0.405	23	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<1>,1|S<4>,2|H<1>,3|C<3>}	121.5700	0.000	1	122.1265	0.405	23	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	121.6850	0.774	4	121.6850	0.600	4	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|S<4>,2|C<4>,3|H<1>}	122.9600	0.000	1	123.0080	0.012	3	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	123.0320	0.140	2	123.0080	0.012	3	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]N[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6]N[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	121.4050	0.000	1	121.4050	0.000	1	122.0890	0.455	489	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5,5a]C[5,5a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5,5a]C[5,5a]2)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	121.6200	0.000	2	121.9712	0.356	5	121.9712	0.356	5	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5,5a]C[5,5a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5,5a]C[5,5a]2)(C[6a]C[6a]H){1|C<4>,1|P<4>,2|H<1>,3|C<3>}	121.9015	0.678	2	121.9712	0.356	5	121.9712	0.356	5	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5,5a]C[5,5a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5,5a]C[5,5a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	122.8130	0.000	1	121.9712	0.356	5	121.9712	0.356	5	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[5a,6a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5,6a]C[6a])(H){2|C<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[5a,6a]C[6a]N[5a]){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	122.3870	0.000	1	122.3870	0.000	1	123.1995	1.320	2	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[5a,6a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5,6a]H)(H){5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[5a,6a]C[6a]N[5a]){2|H<1>,8|C<3>}	124.0120	0.000	1	124.0120	0.000	1	123.1995	1.320	2	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a,6]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a,6]2)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	122.2210	0.000	1	122.2210	0.000	1	122.2210	0.000	1	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)2	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]C)(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)2{1|C<4>,1|H<1>,1|O<2>,6|C<3>}	122.2955	0.042	2	122.2955	0.002	2	123.1521	0.288	14	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)(C[6a]C[6a]H){5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]C[6a])(H){1|C<4>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a]){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	123.5940	0.000	1	123.5940	0.000	1	123.1521	0.288	14	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)(C[6a]C[6a]H){5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]C[6a])(H){1|C<4>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	123.5733	0.048	4	123.5733	0.002	4	123.1521	0.288	14	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a]){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	123.2805	0.564	2	123.2805	0.318	2	123.1521	0.288	14	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]C[6a])(H){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a]N[5a]){4|H<1>,5|C<3>}	123.5700	0.000	1	123.5700	0.000	1	123.1521	0.288	14	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]O[5a])(C[5a,6a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]O[5a])(C[5a,6a]C[6a]N[5a]){3|H<1>,5|C<3>}	123.5000	0.000	1	123.5000	0.000	1	123.1521	0.288	14	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)2	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)2{1|O<2>,2|H<1>,6|C<3>}	122.6970	0.178	2	122.6970	0.032	2	123.1521	0.288	14	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H){1|S<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[6a]N[5a]){1|S<4>,2|H<1>,5|C<3>}	122.6270	0.000	1	122.6270	0.000	1	123.1521	0.288	14	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H){1|N<2>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[5a]C[6a]N[5a]){1|H<1>,1|O<2>,6|C<3>}	123.8560	0.000	1	123.8560	0.000	1	123.8560	0.000	1	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]N[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]C[6a])(H){2|C<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]N[6]){3|C<3>,3|C<4>,3|H<1>}	122.4100	0.000	1	122.4100	0.000	1	122.5374	0.283	15	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6]){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	123.3250	0.000	1	123.3250	0.000	1	122.5374	0.283	15	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H){1|C<4>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6]){1|N<2>,2|H<1>,3|C<3>,4|C<4>}	122.7690	0.000	1	122.7733	0.088	8	122.5374	0.283	15	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6]){1|N<3>,2|H<1>,3|C<3>,4|C<4>}	122.7739	0.321	7	122.7733	0.088	8	122.5374	0.283	15	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6]){1|N<3>,2|C<4>,2|H<1>,5|C<3>}	122.3400	0.000	1	122.4815	0.040	2	122.5374	0.283	15	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H){5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6]){2|H<1>,7|C<3>}	122.6230	0.000	1	122.4815	0.040	2	122.5374	0.283	15	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]N[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]N[6]){1|C<4>,2|H<1>,6|C<3>}	121.9230	0.107	2	121.9230	0.012	2	122.5374	0.283	15	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6]){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	121.3310	0.000	1	121.3310	0.000	1	122.5374	0.283	15	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2){1|C<4>,1|H<1>,7|C<3>}	123.0010	0.000	1	123.0010	0.000	1	122.4130	0.368	7	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2){1|C<4>,1|H<1>,7|C<3>}	122.3820	0.113	2	122.3820	0.013	2	122.4130	0.368	7	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2){1|C<4>,1|H<1>,7|C<3>}	121.9330	0.000	1	122.2815	0.594	4	122.4130	0.368	7	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2){1|C<4>,2|H<1>,6|C<3>}	122.3977	0.900	3	122.2815	0.594	4	122.4130	0.368	7	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]B)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]B)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|B<3>,3|C<3>,3|H<1>}	120.5063	0.098	3	120.0550	0.423	5	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]B)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]B)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	119.3780	0.382	2	120.0550	0.423	5	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a]C[6a])(H){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	121.8850	0.000	1	121.8850	0.000	1	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	121.9310	0.230	3	121.8407	0.068	4	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H){1|C<4>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	121.5700	0.000	1	121.8407	0.068	4	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	121.4903	0.416	3	121.8220	0.192	7	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	122.0708	0.277	4	121.8220	0.192	7	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	122.3720	0.153	2	122.3720	0.023	2	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<4>,3|C<3>,3|H<1>}	122.9990	0.532	2	122.5957	0.629	3	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){2|C<4>,2|H<1>,3|C<3>}	121.7890	0.000	1	122.5957	0.629	3	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	121.5820	0.000	1	121.8778	0.066	6	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	121.8030	0.000	1	121.8778	0.066	6	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|I<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|I<1>,2|H<1>,3|C<3>}	121.7680	0.000	1	121.8778	0.066	6	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	121.8330	0.000	1	121.8778	0.066	6	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	122.1405	0.293	2	121.8778	0.066	6	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	120.9538	0.877	5	121.4710	0.774	11	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	121.7510	0.617	5	121.4710	0.774	11	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	122.6570	0.000	1	121.4710	0.774	11	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	121.9080	0.000	1	122.5730	0.232	9	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	122.6561	0.440	8	122.5730	0.232	9	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	121.7840	0.000	1	122.1109	0.380	12	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	121.7080	0.091	2	122.1109	0.380	12	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	122.2726	0.707	8	122.1109	0.380	12	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	121.9500	0.000	1	122.1109	0.380	12	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	123.1105	0.148	4	121.9989	0.841	12	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	122.3380	0.000	1	121.9989	0.841	12	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|I<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|I<1>,2|H<1>,5|C<3>}	121.0790	0.126	3	121.9989	0.841	12	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	121.4925	0.422	4	121.9989	0.841	12	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<4>,2|H<1>,4|C<3>}	121.5880	0.000	1	121.6175	0.002	2	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){2|C<4>,2|H<1>,3|C<3>}	121.6470	0.000	1	121.6175	0.002	2	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	121.4790	0.000	1	121.5195	0.410	671	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	121.6672	0.334	4	121.5195	0.410	671	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	121.8450	0.000	1	121.5195	0.410	671	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	121.8700	0.000	1	121.5195	0.410	671	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	121.5850	0.375	2	121.5195	0.410	671	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	121.8050	0.000	1	121.5195	0.410	671	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|B<3>,1|H<1>,2|C<4>,3|C<3>}	121.7240	0.000	1	121.5195	0.410	671	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	121.2525	0.588	44	121.5195	0.410	671	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<4>,3|C<3>}	122.0145	0.059	2	121.5195	0.410	671	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	121.7470	0.000	1	121.5195	0.410	671	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,2|H<1>,4|C<3>}	120.9453	0.562	7	121.5195	0.410	671	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	121.6019	0.480	17	121.5195	0.410	671	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,3|C<3>,3|H<1>}	123.0385	0.295	4	121.5195	0.410	671	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	121.8920	0.000	1	121.5195	0.410	671	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	120.5350	0.000	1	121.5195	0.410	671	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	121.5761	0.257	7	121.5195	0.410	671	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	121.7446	0.699	18	121.5195	0.410	671	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	121.6166	0.629	295	121.5195	0.410	671	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	122.1467	0.890	3	121.5195	0.410	671	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Si<4>,1|C<4>,2|H<1>,3|C<3>}	122.8370	0.184	2	121.5195	0.410	671	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	122.1696	0.626	14	121.5195	0.410	671	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|I<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|I<1>,2|H<1>,3|C<3>}	120.7940	0.000	1	121.5195	0.410	671	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	121.2951	0.263	7	121.5195	0.410	671	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	121.2202	0.491	8	121.5195	0.410	671	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	121.2873	0.582	3	121.5195	0.410	671	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	122.5130	0.000	1	121.5195	0.410	671	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	121.3416	0.512	90	121.5195	0.410	671	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	121.5053	0.224	3	121.5195	0.410	671	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,2|H<1>,4|C<3>}	122.3410	0.000	1	121.5195	0.410	671	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	121.6230	0.000	1	121.5195	0.410	671	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	121.4863	0.687	85	121.5195	0.410	671	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	121.7268	0.325	4	121.5195	0.410	671	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Si<4>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Si<4>,1|C<4>,2|H<1>,3|C<3>}	121.2297	0.193	8	121.5195	0.410	671	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	120.9315	0.311	4	121.5195	0.410	671	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	121.2575	0.088	2	121.5195	0.410	671	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	120.9748	0.543	26	121.5195	0.410	671	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N){1|C<4>,2|H<1>,4|C<3>}	122.7140	0.000	1	122.7140	0.000	1	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){2|C<4>,2|H<1>,3|C<3>}	123.3990	0.000	1	123.3990	0.000	1	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	121.5224	0.295	8	121.4457	0.123	10	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	121.1390	0.516	2	121.4457	0.123	10	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	124.0210	0.092	2	124.0210	0.008	2	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C){1|C<4>,2|H<1>,4|C<3>}	122.4840	0.253	2	122.6250	0.561	6	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C){1|C<4>,2|H<1>,4|C<3>}	122.6955	0.946	4	122.6250	0.561	6	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	122.5820	0.000	1	122.1254	0.449	35	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	121.5840	0.544	6	122.1254	0.449	35	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	122.6383	0.827	3	122.1254	0.449	35	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	122.4044	0.539	16	122.1254	0.449	35	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	122.1286	0.429	5	122.1254	0.449	35	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	121.3185	0.487	4	122.1254	0.449	35	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N){1|C<4>,2|H<1>,4|C<3>}	122.8600	0.000	1	122.8600	0.000	1	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	121.8760	0.000	1	121.8760	0.000	1	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[5a])(H){1|C<4>,1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	121.6000	0.000	1	121.6000	0.000	1	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	122.5680	0.000	1	122.5680	0.000	1	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<4>,2|H<1>,4|C<3>}	122.7785	0.170	2	122.7785	0.029	2	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	122.3150	0.000	1	121.3909	0.775	14	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	121.4083	0.849	12	121.3909	0.775	14	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	120.2570	0.000	1	121.3909	0.775	14	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	122.1320	0.479	2	122.1320	0.230	2	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Ru)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|Ru<6>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Ru)(H){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	121.9160	0.000	1	121.9160	0.000	1	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]S)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|S<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]S)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	122.0140	0.000	1	122.0140	0.000	1	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Si)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|Si<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Si)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	121.7445	0.357	2	121.7445	0.128	2	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)(H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]C){1|C<4>,2|H<1>,3|C<3>}	120.4270	0.000	1	120.4270	0.000	1	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	119.8825	0.220	2	120.2163	0.241	8	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5])(C[6a]C[6a]H){1|Zr<12>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	120.1320	0.932	2	120.2163	0.241	8	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5])(C[6a]C[6a]H){1|Zr<9>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	120.4253	0.344	4	120.2163	0.241	8	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	121.3557	1.076	6	121.6481	1.136	8	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	122.5255	0.333	2	121.6481	1.136	8	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	122.3780	0.027	2	121.5083	1.562	4	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	120.6385	1.288	2	121.5083	1.562	4	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){1|C<2>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	121.7250	0.049	2	121.8728	2.004	56	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	121.0835	0.239	4	121.8728	2.004	56	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	122.0255	0.367	4	121.8728	2.004	56	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	121.3805	0.067	2	121.8728	2.004	56	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	120.9445	0.087	2	121.8728	2.004	56	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	120.5290	0.472	2	121.8728	2.004	56	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	121.6438	1.018	15	121.8728	2.004	56	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	122.3451	1.827	25	121.8728	2.004	56	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	121.1880	0.034	2	121.1880	0.001	2	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|N<2>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	121.4515	0.595	2	121.4515	0.354	2	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	122.0980	0.000	1	122.0980	0.000	1	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<2>,1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	121.8360	0.000	1	121.8360	0.000	1	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	123.3000	0.000	1	122.4920	0.373	4	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	122.0820	0.359	2	122.4920	0.373	4	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	122.5040	0.000	1	122.4920	0.373	4	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	122.5480	0.000	1	122.5480	0.000	1	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	124.5780	0.044	2	124.5780	0.002	2	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,2|N<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){3|H<1>,4|C<3>}	122.6870	0.000	1	122.6870	0.000	1	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	121.9710	0.000	1	121.7476	0.395	862	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	121.9532	0.318	4	121.7476	0.395	862	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,2|N<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	122.1960	0.000	1	121.7476	0.395	862	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,2|N<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	121.3090	0.404	2	121.7476	0.395	862	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,2|N<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	121.1076	0.559	65	121.7476	0.395	862	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|B<3>,2|H<1>,4|C<3>}	121.8225	0.032	2	121.7476	0.395	862	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,2|H<1>,4|C<3>}	121.2739	0.417	14	121.7476	0.395	862	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	121.6895	0.405	2	121.7476	0.395	862	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	121.1557	0.640	53	121.7476	0.395	862	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,2|H<1>,4|C<3>}	122.2443	0.394	7	121.7476	0.395	862	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	121.8824	0.555	672	121.7476	0.395	862	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	121.3956	0.991	12	121.7476	0.395	862	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	122.3665	0.309	2	121.7476	0.395	862	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|P<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|P<4>,2|H<1>,4|C<3>}	122.1115	0.059	2	121.7476	0.395	862	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	121.1887	0.451	23	121.7476	0.395	862	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,2|N<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	121.6296	0.381	5	121.6296	0.145	5	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	121.9160	0.000	1	121.9160	0.000	1	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Si)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|Si<4>,1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Si)(H){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	121.6500	0.000	1	121.6500	0.000	1	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Cu)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Cu)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cu<3>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cu<3>,3|C<3>,3|H<1>}	119.7900	0.187	2	119.6420	0.524	10	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Cu)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Cu)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cu<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cu<4>,3|C<3>,3|H<1>}	119.6175	0.641	2	119.6420	0.524	10	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Cu)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Cu)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cu<4>,1|I<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cu<4>,1|I<1>,2|H<1>,3|C<3>}	119.4010	1.362	2	119.6420	0.524	10	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Cu)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Cu)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cu<5>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cu<5>,1|C<4>,2|H<1>,3|C<3>}	119.0430	0.283	2	119.6420	0.524	10	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Cu)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Cu)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cu<5>,1|I<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cu<5>,1|I<1>,2|H<1>,3|C<3>}	120.3585	0.654	2	119.6420	0.524	10	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Fe)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Fe)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Fe<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Fe<4>,3|C<3>,3|H<1>}	120.3195	0.586	2	120.3195	0.344	2	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a]C[6a])(H){1|H<1>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>,2|N<2>}	120.9110	0.000	1	120.9110	0.000	1	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){1|O<2>,3|H<1>,5|C<3>}	122.7080	0.684	2	122.7080	0.469	2	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	123.4385	0.272	2	123.4385	0.074	2	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	121.9890	0.276	2	121.8541	0.108	9	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	122.0130	0.276	4	121.8541	0.108	9	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	121.5523	0.275	3	121.8541	0.108	9	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	122.5145	0.428	2	122.5145	0.183	2	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C[5])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C[5])(H){1|C<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	122.1150	0.000	1	122.1150	0.000	1	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	122.1460	0.000	1	122.1460	0.000	1	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|N<2>,3|H<1>}	123.2640	0.000	1	123.2640	0.000	1	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	121.8630	0.000	1	121.9352	0.024	4	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	121.9593	0.178	3	121.9352	0.024	4	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	122.6210	0.000	1	122.8170	0.077	2	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	123.0130	0.000	1	122.8170	0.077	2	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	122.9425	0.189	2	122.4792	0.218	20	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	123.1215	0.571	2	122.4792	0.218	20	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	122.1391	0.269	11	122.4792	0.218	20	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	122.7852	0.121	5	122.4792	0.218	20	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){3|H<1>,4|C<3>}	121.6890	0.537	2	122.1552	2.143	4	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|O<2>,3|C<3>,3|H<1>}	120.9980	0.000	1	122.1552	2.143	4	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){3|C<3>,4|H<1>}	124.2450	0.000	1	122.1552	2.143	4	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl){3|C<3>,4|H<1>}	123.6940	0.000	1	123.6940	0.000	1	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|N<2>,2|H<1>,3|C<3>}	121.6700	0.000	1	121.6957	0.511	268	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	121.7530	0.157	2	121.6957	0.511	268	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	122.0102	0.610	10	121.6957	0.511	268	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,2|H<1>,4|C<3>}	123.4270	0.000	1	121.6957	0.511	268	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,3|C<3>,3|H<1>}	121.2230	2.874	3	121.6957	0.511	268	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,3|C<3>,3|H<1>}	121.9180	0.383	5	121.6957	0.511	268	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	121.1500	0.000	1	121.6957	0.511	268	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	121.3103	0.158	10	121.6957	0.511	268	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,3|C<3>,3|H<1>}	121.5233	0.424	4	121.6957	0.511	268	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	121.4107	0.583	3	121.6957	0.511	268	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	121.4890	0.000	1	121.6957	0.511	268	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	123.3910	0.000	1	121.6957	0.511	268	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	121.2993	0.202	4	121.6957	0.511	268	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	121.2608	0.620	80	121.6957	0.511	268	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	122.3600	0.000	1	121.6957	0.511	268	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	122.5560	0.000	1	121.6957	0.511	268	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	122.3095	0.584	4	121.6957	0.511	268	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,1|N<2>,2|C<3>,3|H<1>}	122.8080	0.000	1	121.6957	0.511	268	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	122.8790	0.000	1	121.6957	0.511	268	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	122.5800	1.381	3	121.6957	0.511	268	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	122.1328	0.465	5	121.6957	0.511	268	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	122.5995	0.185	4	121.6957	0.511	268	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	121.9449	0.385	11	121.6957	0.511	268	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	121.7442	0.463	93	121.6957	0.511	268	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	122.4844	0.653	18	121.6957	0.511	268	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|C<4>,3|C<3>,3|H<1>}	123.2070	0.481	2	122.1330	0.739	7	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){3|C<3>,4|H<1>}	121.7034	0.493	5	122.1330	0.739	7	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	120.6720	0.000	1	121.4800	0.119	11	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	121.5608	0.230	10	121.4800	0.119	11	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){1|O<2>,2|H<1>,6|C<3>}	122.6170	0.878	2	122.6170	0.771	2	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Cl)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Cl){1|N<3>,3|C<3>,3|H<1>}	122.9950	0.000	1	122.9950	0.000	1	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	122.0010	0.000	1	121.8105	0.073	2	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	121.6200	0.000	1	121.8105	0.073	2	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[5a])(H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	122.0500	0.000	1	122.0500	0.000	1	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	122.1720	0.279	2	122.6872	0.174	18	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|Br<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,3|C<3>,3|H<1>}	122.5470	0.000	1	122.6872	0.174	18	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	122.4345	0.008	2	122.6872	0.174	18	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	122.6960	0.000	1	122.6872	0.174	18	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	122.6308	0.439	4	122.6872	0.174	18	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	122.9237	0.407	8	122.6872	0.174	18	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]H){3|C<3>,3|H<1>}	120.3920	0.000	1	120.3920	0.000	1	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]H){2|H<1>,3|C<3>}	120.2510	0.373	2	120.2510	0.139	2	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	123.1930	0.173	2	122.7300	0.378	4	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	122.2670	0.496	2	122.7300	0.378	4	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N[5])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	122.3025	0.419	2	122.3025	0.176	2	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	123.8751	0.436	8	123.8751	0.190	8	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|H<1>,3|C<3>}	122.4377	0.317	4	122.4154	0.078	5	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	122.3260	0.000	1	122.4154	0.078	5	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]P)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]P)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|P<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|P<4>,2|H<1>,3|C<3>}	120.0925	0.310	2	121.1096	0.442	38	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]P)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]P)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|P<3>,3|C<3>,3|H<1>}	121.3359	0.464	10	121.1096	0.442	38	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]P)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]P)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|P<4>,3|C<3>,3|H<1>}	121.1008	0.685	26	121.1096	0.442	38	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Pd)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Pd)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Pd<4>,3|C<3>,3|H<1>}	120.7025	0.703	4	120.7025	0.494	4	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Pt)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Pt)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Pt<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Pt<4>,1|H<1>,1|O<2>,4|C<3>}	118.8173	0.587	3	118.8173	0.344	3	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Pt)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Pt)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Pt<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Pt<4>,3|C<3>,3|H<1>}	120.2910	0.000	1	120.2910	0.000	1	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|C<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H){1|S<4>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|S<4>,2|H<1>,4|C<3>}	121.9540	0.201	2	121.9540	0.040	2	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H){1|S<4>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	121.3900	0.000	1	121.3900	0.000	1	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H){1|C<2>,1|S<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N){1|C<2>,1|S<4>,2|H<1>,3|C<3>}	122.4100	0.000	1	122.4100	0.000	1	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H){1|C<4>,1|S<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	121.8653	0.366	3	122.3736	0.252	10	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H){1|S<4>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|S<4>,2|H<1>,4|C<3>}	122.5914	0.386	7	122.3736	0.252	10	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|S<4>,3|C<3>,3|H<1>}	123.1080	0.000	1	123.1080	0.000	1	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	121.7730	0.000	1	121.7730	0.000	1	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	122.9250	0.000	1	122.8513	0.605	3	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	122.8145	1.097	2	122.8513	0.605	3	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|S<4>,3|C<3>,3|H<1>}	122.3110	0.000	1	122.1350	0.062	2	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|S<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|S<4>,2|H<1>,4|C<3>}	121.9590	0.000	1	122.1350	0.062	2	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|S<4>,2|C<3>,3|H<1>}	121.6485	1.149	2	121.8048	0.209	60	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|S<4>,2|H<1>,3|C<3>}	121.5270	0.000	1	121.8048	0.209	60	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,1|S<4>,3|C<3>}	121.6470	0.000	1	121.8048	0.209	60	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|S<4>,2|H<1>,3|C<3>}	121.5975	0.270	4	121.8048	0.209	60	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|S<4>,3|C<3>}	121.4110	0.000	1	121.8048	0.209	60	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|F<1>,1|S<4>,2|H<1>,3|C<3>}	121.7360	0.000	1	121.8048	0.209	60	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	122.3234	0.328	7	121.8048	0.209	60	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|S<4>,2|C<3>,3|H<1>}	121.8150	0.000	1	121.8048	0.209	60	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,1|S<4>,2|H<1>,3|C<3>}	122.2795	0.548	2	121.8048	0.209	60	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|H<1>,3|C<3>}	121.7175	0.294	11	121.8048	0.209	60	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	121.6730	0.086	3	121.8048	0.209	60	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	121.6665	0.344	22	121.8048	0.209	60	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,1|S<4>,3|C<3>}	123.5110	0.000	1	121.8048	0.209	60	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|H<1>,3|C<3>}	121.7810	0.000	1	121.8048	0.209	60	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|S<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	122.2060	0.000	1	121.8048	0.209	60	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|S<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	121.5680	0.000	1	121.8048	0.209	60	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|S<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|S<4>,2|H<1>,4|C<3>}	122.4980	0.000	1	122.4980	0.000	1	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|S<4>,2|C<3>,2|H<1>}	121.4010	0.000	1	121.5330	0.051	4	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>}	121.5770	0.256	3	121.5330	0.051	4	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|S<2>,1|S<4>,2|H<1>,3|C<3>}	121.8850	0.000	1	121.8850	0.000	1	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	123.2695	0.125	2	123.2695	0.016	2	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|O<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|N<2>,1|S<4>,2|C<3>,3|H<1>}	122.5990	0.000	1	122.5990	0.000	1	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Br)(H){1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]H){1|S<4>,2|H<1>,3|C<3>}	120.0880	0.000	1	120.0880	0.000	1	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Si)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Si)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Si<4>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Si<4>,1|C<4>,2|H<1>,3|C<3>}	119.2680	0.180	2	120.2661	0.561	8	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Si)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Si)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Si<4>,3|C<3>,3|H<1>}	120.5988	0.498	6	120.2661	0.561	8	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	121.5520	0.000	1	121.5520	0.000	1	121.6959	0.588	2326	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5,6]C[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5,6]C[5a])(C[6a]C[6a]H){1|Pd<4>,1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	122.3630	0.000	1	122.3630	0.000	1	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Al)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Al)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Al)(C[6a]C[6a]H){1|Al<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|Al<4>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Al)(C[6a]C[6a]H){1|Al<4>,1|C<3>,1|C<4>,2|H<1>}	121.1010	0.000	1	121.1010	0.000	1	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Al)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Al)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Al<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Al<4>,1|C<3>,1|C<4>,2|H<1>}	121.4450	0.235	2	121.0366	0.313	8	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Al)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Al)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Al<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Al<4>,2|C<3>,2|H<1>}	121.1400	0.578	4	121.0366	0.313	8	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Al)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Al)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Al<5>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Al<5>,2|C<3>,2|H<1>}	120.4215	0.057	2	121.0366	0.313	8	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Au)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Au)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Au<2>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Au<2>,1|C<3>,3|H<1>}	121.7990	0.000	1	121.7990	0.000	1	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[4])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[4])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	120.9800	0.000	1	120.9800	0.000	1	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	120.5670	0.000	1	120.5670	0.000	1	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	122.2725	0.145	2	121.5739	0.576	7	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	121.0490	0.000	1	121.5739	0.576	7	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	120.7100	0.000	1	121.5739	0.576	7	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	120.5930	0.000	1	121.5739	0.576	7	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|Zr<12>,1|C<3>,2|H<1>,4|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	122.0550	0.000	1	121.5739	0.576	7	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	122.0650	0.000	1	121.5739	0.576	7	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	121.6550	0.000	1	122.0540	0.134	3	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	122.1340	0.000	1	122.0540	0.134	3	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	122.3730	0.000	1	122.0540	0.134	3	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|I<1>,1|O<2>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.7820	0.000	1	121.7820	0.000	1	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	121.9680	0.000	1	121.9680	0.000	1	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<2>,1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	121.5510	0.000	1	122.5550	1.323	8	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	122.5130	0.642	2	122.5550	1.323	8	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|Mn<6>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Mn<6>,2|C<3>,2|H<1>}	121.8030	0.000	1	122.5550	1.323	8	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|Rh<8>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Rh<8>,2|C<3>,2|H<1>}	125.1580	0.000	1	122.5550	1.323	8	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	122.2920	0.547	2	122.5550	1.323	8	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	122.3180	0.000	1	122.5550	1.323	8	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	122.0000	0.000	1	121.9880	0.087	3	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|Cr<9>,1|Si<4>,1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	122.2760	0.000	1	121.9880	0.087	3	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|Rh<8>,1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Rh<8>,2|C<3>,2|H<1>}	121.6880	0.000	1	121.9880	0.087	3	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	122.6730	0.000	1	122.6730	0.000	1	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|F<1>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	123.0580	0.000	1	122.8280	0.106	2	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|F<1>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.5980	0.000	1	122.8280	0.106	2	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){2|H<1>,5|C<3>}	122.4530	0.000	1	122.4530	0.000	1	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	122.6120	0.303	3	122.0479	0.283	18	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	122.4290	0.713	2	122.0479	0.283	18	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|N<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	121.4200	0.382	2	122.0479	0.283	18	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	121.7380	0.000	1	122.0479	0.283	18	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	121.5990	0.000	1	122.0479	0.283	18	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	122.2650	0.000	1	122.0479	0.283	18	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.3370	0.000	1	122.0479	0.283	18	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	121.8220	0.163	2	122.0479	0.283	18	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	121.7380	0.000	1	122.0479	0.283	18	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	122.9320	0.000	1	122.0479	0.283	18	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	122.0250	0.206	3	122.0479	0.283	18	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]N){1|C<4>,1|H<1>,3|C<3>}	121.6130	0.000	1	122.5820	1.878	2	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]N){2|C<3>,3|H<1>}	123.5510	0.000	1	122.5820	1.878	2	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	122.5130	0.000	1	122.2473	0.417	6	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	122.2445	0.806	4	122.2473	0.417	6	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	121.9930	0.000	1	122.2473	0.417	6	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){2|C<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<2>,2|C<3>,2|H<1>}	122.9810	0.000	1	122.9810	0.000	1	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	121.0830	0.000	1	121.7973	0.503	49	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|N<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	121.1803	0.107	3	121.7973	0.503	49	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|N<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	121.3220	0.000	1	121.7973	0.503	49	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|N<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	120.2770	0.000	1	121.7973	0.503	49	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|S<2>,2|N<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	121.0550	0.000	1	121.7973	0.503	49	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,2|N<2>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,3|H<1>}	121.9480	0.000	1	121.7973	0.503	49	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	121.2495	0.377	2	121.7973	0.503	49	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	122.0650	0.000	1	121.7973	0.503	49	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	121.3890	0.000	1	121.7973	0.503	49	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	121.2590	0.000	1	121.7973	0.503	49	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	122.3147	0.147	3	121.7973	0.503	49	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|I<1>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|I<1>,2|C<3>,2|H<1>}	122.5870	0.000	1	121.7973	0.503	49	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,3|H<1>}	121.4267	1.100	4	121.7973	0.503	49	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.7880	0.057	2	121.7973	0.503	49	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<2>,2|C<3>,2|H<1>}	122.7140	0.000	1	121.7973	0.503	49	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|P<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	122.3330	0.000	1	121.7973	0.503	49	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){2|C<3>,2|N<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.6413	0.496	9	121.7973	0.503	49	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,3|H<1>}	122.8380	0.921	3	121.7973	0.503	49	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	121.6530	0.000	1	121.7973	0.503	49	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.8840	0.000	2	121.7973	0.503	49	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.1178	0.635	9	121.7973	0.503	49	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]F)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|F<1>,1|H<1>,1|I<1>,1|N<3>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]F){1|N<3>,2|C<3>,2|H<1>}	121.7370	0.000	1	121.7370	0.000	1	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	121.5490	0.000	1	121.5490	0.000	1	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Pd)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|Pd<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Pd)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.1200	0.000	1	122.1200	0.000	1	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.7550	0.000	1	121.7550	0.000	1	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	122.5510	0.000	1	122.5510	0.000	1	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)(H){5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]N[6a]O){1|H<1>,4|C<3>}	122.3960	0.000	1	122.3960	0.000	1	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Cu)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Cu)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cu<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Cu<4>,2|C<3>,2|H<1>}	120.8398	0.622	4	120.8398	0.386	4	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Ir)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Ir)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Ir<8>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Ir<8>,1|C<3>,3|H<1>}	121.4683	0.416	3	121.5834	0.484	9	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Ir)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Ir)(C[6a]C[6a]H){1|Ir<6>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Ir<6>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|Ir<6>,1|H<1>,2|C<3>}	121.3220	0.000	1	121.5834	0.484	9	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Ir)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Ir)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Ir<5>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Ir<5>,2|C<3>,2|H<1>}	122.8890	0.000	1	121.5834	0.484	9	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Ir)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Ir)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Ir<6>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Ir<6>,2|C<3>,2|H<1>}	121.7905	0.909	2	121.5834	0.484	9	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Ir)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Ir)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Ir<8>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Ir<8>,2|C<3>,2|H<1>}	121.0270	0.426	2	121.5834	0.484	9	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Mg)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Mg)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Mg<6>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Mg<6>,2|C<3>,2|H<1>}	119.9357	0.505	6	119.9357	0.255	6	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]N[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]N[5])(C[6a]C[6a]H){1|B<4>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|H<1>}	123.0415	0.127	2	123.0415	0.016	2	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	122.9360	0.000	1	122.9360	0.000	1	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,3|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]N){2|C<3>,2|H<1>}	123.9480	0.000	1	124.1255	0.063	2	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|N<2>,2|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]N){2|C<3>,2|H<1>}	124.3030	0.000	1	124.1255	0.063	2	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Ni)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Ni)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Ni<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Ni<4>,1|C<3>,3|H<1>}	121.2284	0.649	5	121.2284	0.421	5	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Pd)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Pd)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Pd<4>,2|C<3>,2|H<1>}	120.1795	0.450	2	120.1795	0.203	2	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Pd)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Pd)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|Pd<4>,2|C<3>,2|H<1>}	120.4760	0.713	3	120.4760	0.509	3	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Pt)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Pt)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Pt<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Pt<4>,2|C<3>,2|H<1>}	119.6030	0.983	4	119.9010	1.168	5	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Pt)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Pt)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Pt<5>,1|F<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Pt<5>,1|F<1>,1|H<1>,2|C<3>}	121.0930	0.000	1	119.9010	1.168	5	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Rh)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Rh)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Rh<8>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Rh<8>,1|C<3>,3|H<1>}	120.8110	0.000	1	120.8110	0.000	1	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Ru)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Ru)(C[6a]C[6a]H){1|C<3>,1|P<5>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Ru<10>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Ru<10>,1|C<3>,1|P<5>,2|H<1>}	120.9473	0.325	3	120.8190	0.136	4	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Ru)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Ru)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Ru<9>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Ru<9>,1|C<3>,3|H<1>}	120.4340	0.000	1	120.8190	0.136	4	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Ru)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Ru)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Ru<6>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|Ru<6>,2|C<3>,2|H<1>}	120.4500	0.000	1	120.5135	0.008	2	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Ru)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Ru)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Ru<6>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|Ru<6>,2|C<3>,2|H<1>}	120.5770	0.000	1	120.5135	0.008	2	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Ru)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Ru)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Ru<6>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){1|Ru<6>,2|C<3>,2|H<1>}	117.7060	0.978	4	117.7060	0.956	4	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Si)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Si)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Si<4>,1|C<3>,3|H<1>}	120.7660	0.000	1	120.7660	0.000	1	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Si)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Si)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|Si<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|Br<1>,1|Si<4>,1|C<3>,1|N<3>,1|O<2>,3|H<1>}	120.3960	0.000	1	120.3960	0.000	1	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Si)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Si)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Si<4>,2|C<3>,2|H<1>}	120.8286	0.269	5	120.8286	0.073	5	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Ti)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Ti)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Ti<5>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Ti<5>,1|C<3>,3|H<1>}	121.0560	0.048	2	121.0560	0.002	2	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	121.7540	0.652	4	121.9092	0.316	6	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	122.2195	0.135	2	121.9092	0.316	6	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<3>}	120.4750	0.000	1	120.4750	0.000	1	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	122.2470	0.000	1	122.2470	0.000	1	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	121.6930	0.000	1	121.6930	0.000	1	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,2|H<1>}	122.8355	0.780	2	122.8355	0.608	2	121.5558	1.243	192	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a]){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	122.4430	0.000	1	122.2505	0.074	2	122.7434	0.595	10	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a]){1|C<4>,3|H<1>,5|C<3>}	122.0580	0.000	1	122.2505	0.074	2	122.7434	0.595	10	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a]){2|H<1>,7|C<3>}	123.7280	0.000	1	123.7280	0.000	1	122.7434	0.595	10	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a]){3|H<1>,6|C<3>}	122.9770	0.000	1	122.9770	0.000	1	122.7434	0.595	10	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a]){2|H<1>,7|C<3>}	123.1990	0.253	2	123.1990	0.064	2	122.7434	0.595	10	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a]){3|H<1>,6|C<3>}	123.1510	0.000	1	123.1510	0.000	1	122.7434	0.595	10	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a]){4|H<1>,5|C<3>}	122.8610	0.000	1	122.8610	0.000	1	122.7434	0.595	10	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){1|S<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a]){1|S<4>,3|H<1>,5|C<3>}	121.9090	1.311	2	121.9090	1.719	2	122.7434	0.595	10	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|H<1>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(C[5a]C[5a]H){2|H<1>,3|C<3>}	120.9760	0.000	1	120.9760	0.000	1	120.9760	0.000	1	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Br<1>,2|C<3>,2|H<1>}	121.8480	0.000	1	120.8740	0.583	4	120.9234	0.389	20	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|Ir<5>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Ir<5>,2|C<3>,2|H<1>}	120.8300	0.110	2	120.8740	0.583	4	120.9234	0.389	20	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|Pt<4>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Pt<4>,2|C<3>,2|H<1>}	119.9880	0.000	1	120.8740	0.583	4	120.9234	0.389	20	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|B<3>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H){1|B<3>,2|C<3>,2|H<1>}	120.3162	0.279	4	120.4804	0.193	5	120.9234	0.389	20	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H){2|H<1>,3|C<3>}	121.1370	0.000	1	120.4804	0.193	5	120.9234	0.389	20	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[3])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[3])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	121.3570	0.000	1	121.3570	0.000	1	120.9234	0.389	20	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|O<1>,2|C<3>,2|H<1>}	121.6460	0.000	1	121.6460	0.000	1	120.9234	0.389	20	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	120.9490	0.229	3	120.9906	0.374	8	120.9234	0.389	20	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	119.7770	0.000	1	120.9906	0.374	8	120.9234	0.389	20	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|O<1>,2|C<3>,2|H<1>}	121.3252	0.442	4	120.9906	0.374	8	120.9234	0.389	20	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|O<1>,2|C<3>,2|H<1>}	121.6420	0.000	1	121.6420	0.000	1	120.9234	0.389	20	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<2>,2|C<3>,2|N<2>}	121.0970	0.000	1	121.0970	0.000	1	121.3965	0.179	2	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|S<2>,3|C<3>,3|H<1>}	121.6960	0.000	1	121.6960	0.000	1	121.3965	0.179	2	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	122.8890	0.345	2	122.8890	0.119	2	122.8890	0.119	2	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6])(C[6a]C[6a]H){1|Br<1>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6])(C[6a]C[6a]H){1|Br<1>,2|H<1>,4|C<3>}	121.2690	0.000	1	121.2690	0.000	1	120.6276	0.439	64	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|B<3>,1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	120.6870	0.256	8	120.7364	0.251	16	120.6276	0.439	64	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|C<5>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|B<3>,1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|C<5>,1|H<1>,4|C<3>}	120.7758	0.761	6	120.7364	0.251	16	120.6276	0.439	64	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|C<6>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|B<3>,1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|C<6>,1|H<1>,4|C<3>}	120.8155	0.607	2	120.7364	0.251	16	120.6276	0.439	64	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	120.9135	0.292	2	121.0393	0.131	29	120.6276	0.439	64	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|C<5>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|C<5>,2|H<1>,4|C<3>}	121.0413	0.237	6	121.0393	0.131	29	120.6276	0.439	64	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|Li<3>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|Li<3>,2|H<1>,4|C<3>}	120.7622	0.193	4	121.0393	0.131	29	120.6276	0.439	64	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	120.9510	0.604	4	121.0393	0.131	29	120.6276	0.439	64	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	121.2375	0.343	11	121.0393	0.131	29	120.6276	0.439	64	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	120.8000	0.000	2	121.0393	0.131	29	120.6276	0.439	64	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]Sn)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]Sn)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]Sn)(C[6a]C[6a]H){1|Sn<4>,1|B<3>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Sn<4>,1|B<3>,1|C<3>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]Sn)(C[6a]C[6a]H){1|Sn<4>,1|B<3>,1|C<3>,2|H<1>}	120.6615	0.243	2	120.6615	0.059	2	120.6276	0.439	64	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]Ge[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]Ge[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]Ge[5a]C)(C[6a]C[6a]H){1|Mo<6>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Ge<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]Ge[5a]C)(C[6a]C[6a]H){1|Mo<6>,1|C<3>,1|C<4>,2|H<1>}	119.5605	0.313	4	119.5605	0.098	4	120.6276	0.439	64	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]Si[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]Si[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]Si[5a]C)(C[6a]C[6a]H){1|Li<3>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Si<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]Si[5a]C)(C[6a]C[6a]H){1|Li<3>,1|C<3>,1|C<4>,2|H<1>}	119.4410	0.450	2	119.7842	0.113	12	120.6276	0.439	64	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]Si[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]Si[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]Si[5a]C)(C[6a]C[6a]H){1|Mo<6>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Si<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]Si[5a]C)(C[6a]C[6a]H){1|Mo<6>,1|C<3>,1|C<4>,2|H<1>}	119.9065	0.165	2	119.7842	0.113	12	120.6276	0.439	64	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]Si[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]Si[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]Si[5a]C)(C[6a]C[6a]H){1|Ru<6>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Si<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]Si[5a]C)(C[6a]C[6a]H){1|Ru<6>,1|C<3>,1|C<4>,2|H<1>}	119.9088	0.345	6	119.7842	0.113	12	120.6276	0.439	64	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]Si[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]Si[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]Si[5a]C)(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Si<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]Si[5a]C)(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	119.6310	0.095	2	119.7842	0.113	12	120.6276	0.439	64	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Si)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a]C[3x3,4,3x5,14x6]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Si)(C[6a]C[6a]H){1|C<3>,1|C<5>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Si<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a]C[3x3,4,3x5,14x6]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|O<2>,2|H<1>,4|B<6>}	121.9320	0.000	1	121.9320	0.000	1	121.9320	0.000	1	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,5a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6,6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[6,6a]C[6,6a]C[4,6])(C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[5,5a]C[6,6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[6,6a]C[6,6a]C[4,6])(C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a]){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	121.9160	0.000	1	121.9160	0.000	1	121.9160	0.000	1	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a]){2|H<1>,7|C<3>}	122.8590	0.000	1	122.8590	0.000	1	122.8590	0.000	1	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,2|H<1>,4|C<3>}	122.9830	0.000	1	122.8845	0.019	2	122.8845	0.019	2	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|N<3>,2|H<1>,4|C<3>}	122.7860	0.000	1	122.8845	0.019	2	122.8845	0.019	2	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	122.2230	0.371	2	121.8530	0.479	3	121.0536	1.022	10	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	121.1130	0.000	1	121.8530	0.479	3	121.0536	1.022	10	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	121.1760	0.000	1	120.9107	0.068	3	121.0536	1.022	10	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	120.9000	0.000	1	120.9107	0.068	3	121.0536	1.022	10	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	120.6560	0.000	1	120.9107	0.068	3	121.0536	1.022	10	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	120.0670	0.000	1	121.2855	2.969	2	121.0536	1.022	10	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	122.5040	0.000	1	121.2855	2.969	2	121.0536	1.022	10	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	119.6310	0.000	1	119.6310	0.000	1	121.0536	1.022	10	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	120.0430	0.000	1	120.0430	0.000	1	121.0536	1.022	10	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,3|H<1>}	121.4610	0.000	1	121.6400	0.064	2	121.6400	0.064	2	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	121.8190	0.000	1	121.6400	0.064	2	121.6400	0.064	2	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5,6a]-3:O-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]N[5,6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5,6a]C[5,6a]C[5])(O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]N[5,6a]O){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5,6a]C[5,6a]C[5])(O){1|N<3>,1|O<2>,2|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	123.9130	0.000	1	123.9130	0.000	1	123.9130	0.000	1	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]N[6a]O){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O){1|C<4>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	123.3855	0.006	2	123.3855	0.000	2	123.3855	0.000	2	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]O[5a])(C[5a,6a]C[5a]C[6a])	C[5a,6a](C[5a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]H)(H){5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]O[5a])(C[5a,6a]C[5a]C[6a]){2|H<1>,6|C<3>}	121.1080	0.000	1	121.1080	0.000	1	121.1080	0.000	1	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a]C[3x3,4,3x5,14x6]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Si)(C[6a]C[6a]H)	C[5a,6a](C[5a]C[3x3,4,3x5,14x6]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|O<2>,2|H<1>,4|B<6>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<5>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Si)(C[6a]C[6a]H){1|C<3>,1|C<5>,3|H<1>}	119.2500	0.000	1	119.2500	0.000	1	119.2500	0.000	1	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	C[5a,6a](N[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	122.0580	0.000	1	122.0580	0.000	1	122.5850	0.300	6	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5,5a]C[5,5a]C[5,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	C[5a,6a](N[5,5a]C[5,5a]C[5,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	122.9270	0.000	1	122.9270	0.000	1	122.5850	0.300	6	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	122.9880	0.028	2	122.9880	0.001	2	122.5850	0.300	6	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	C[5a,6a](N[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|Br<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	121.7330	0.000	1	121.7330	0.000	1	122.5850	0.300	6	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]O)	C[5a,6a](N[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	122.8160	0.000	1	122.8160	0.000	1	122.5850	0.300	6	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]C[5])(C[6a]C[6a]F)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F){2|F<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]F)(F){1|F<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]C[5])(C[6a]C[6a]F){1|N<2>,2|F<1>,4|C<3>}	120.3790	0.000	1	120.3790	0.000	1	120.5225	0.067	4	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]C[5a])(C[6a]C[6a]F)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F){2|F<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]F)(F){1|F<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]C[5a])(C[6a]C[6a]F){1|N<3>,2|F<1>,4|C<3>}	120.6985	0.274	2	120.6985	0.075	2	120.5225	0.067	4	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]O)(F)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]C[5])(C[6a]C[6a]F)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F){1|F<1>,1|O<2>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]O)(F){1|F<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]C[5])(C[6a]C[6a]F){1|N<2>,2|F<1>,4|C<3>}	120.3140	0.000	1	120.3140	0.000	1	120.5225	0.067	4	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	C[5a,6a](N[5a,5a]N[5a,5a]B[5a])(C[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(B[5a]N[5a,5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,5a]N[5a,5a]B[5a])(C[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|B<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(B[5a]N[5a,5a]C[6a])(C[6a]C[6a]H){1|B<3>,2|H<1>,4|C<3>}	122.5550	0.000	1	122.5550	0.000	1	122.5550	0.000	1	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,5a]C[5a,5a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a,6a]C[6a])(C[5a,6a]N[5a,5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,5a]C[5a,5a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a,6a]C[6a])(C[5a,6a]N[5a,5a]C[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	122.7670	0.617	3	122.6364	0.250	8	121.9639	2.207	10	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,5a]C[5a,5a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a,6a]C[6a])(C[5a,6a]N[5a,5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,5a]C[5a,5a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a,6a]C[6a])(C[5a,6a]N[5a,5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	122.6437	0.502	4	122.6364	0.250	8	121.9639	2.207	10	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,5a]C[5a,5a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a,6a]C[6a])(C[5a,6a]N[5a,5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,5a]C[5a,5a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a,6a]C[6a])(C[5a,6a]N[5a,5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	122.2150	0.000	1	122.6364	0.250	8	121.9639	2.207	10	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,5a]C[5a,5a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]N[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a,6a]C[6a])(C[5a,6a]N[5a,5a]C[6a])(C[6a]N[6a]H)	C[5a,6a](N[5a,5a]C[5a,5a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]N[6a]H)(H){4|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a,6a]C[6a])(C[5a,6a]N[5a,5a]C[6a])(C[6a]N[6a]H){2|H<1>,4|C<3>}	119.2740	0.157	2	119.2740	0.025	2	121.9639	2.207	10	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]B[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,5a]C[5a,5a]B[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]C)(C[6a]C[6a]H){1|B<4>,1|C<3>,1|N<3>,2|H<1>}	121.8620	0.000	1	121.8620	0.000	1	122.5570	1.732	14	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]B[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,5a]C[5a,5a]B[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|B<4>,1|F<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]H){1|B<4>,1|F<1>,1|H<1>,2|C<3>}	121.0420	0.000	1	121.6312	0.288	6	122.5570	1.732	14	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]B[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,5a]C[5a,5a]B[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|B<4>,1|F<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]H){1|B<4>,1|F<1>,1|H<1>,2|C<3>}	122.1120	0.000	1	121.6312	0.288	6	122.5570	1.732	14	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]B[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,5a]C[5a,5a]B[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	121.6085	0.037	2	121.6312	0.288	6	122.5570	1.732	14	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]B[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,5a]C[5a,5a]B[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|B<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]H){1|B<4>,1|H<1>,1|O<2>,2|C<3>}	121.0570	0.000	1	121.6312	0.288	6	122.5570	1.732	14	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]B[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,5a]C[5a,5a]B[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|B<4>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]H){1|Cl<1>,1|B<4>,1|H<1>,2|C<3>}	122.3590	0.000	1	121.6312	0.288	6	122.5570	1.732	14	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|B<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	122.3690	0.000	1	122.3690	0.000	1	122.5570	1.732	14	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	123.9980	0.000	1	123.9980	0.000	1	122.5570	1.732	14	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|C<3>,2|S<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	122.5570	0.000	1	122.5570	0.000	1	122.5570	1.732	14	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]N)(C[6a]C[6a]H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,2|N<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|Cl<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]N)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	121.5550	0.000	1	121.5550	0.000	1	122.5570	1.732	14	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	124.4980	0.560	2	124.4980	0.314	2	122.5570	1.732	14	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]N)(C[6a]C[6a]H)	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]N)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	124.6740	0.000	1	124.6740	0.000	1	122.5570	1.732	14	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.4230	0.246	2	120.3043	2.361	3	121.5758	1.914	10	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.0670	0.000	1	120.3043	2.361	3	121.5758	1.914	10	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	121.6480	0.000	1	121.9255	0.154	2	121.5758	1.914	10	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.2030	0.000	1	121.9255	0.154	2	121.5758	1.914	10	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	122.1090	0.000	1	122.1090	0.000	1	121.5758	1.914	10	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	123.6820	0.000	1	123.6820	0.000	1	121.5758	1.914	10	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	120.5520	0.000	1	120.5520	0.000	1	121.5758	1.914	10	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]C)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	121.8970	0.000	1	121.8970	0.000	1	121.5758	1.914	10	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	122.7540	0.000	1	122.7540	0.000	1	121.5758	1.914	10	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6]C[5a,6,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6]C[5a,6,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	120.5340	0.000	1	120.5340	0.000	1	120.5340	0.000	1	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	121.8410	0.000	1	121.8410	0.000	1	121.3290	0.433	20	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.3390	0.000	1	121.3390	0.000	1	121.3290	0.433	20	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	121.8266	0.416	7	121.8266	0.173	7	121.3290	0.433	20	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]C)(H){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	120.6820	0.000	1	120.6820	0.000	1	121.3290	0.433	20	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|Si<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H){1|Si<4>,2|H<1>,4|C<3>}	122.0230	0.000	1	122.0230	0.000	1	121.3290	0.433	20	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|Br<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	120.4680	0.000	1	120.8787	0.310	9	121.3290	0.433	20	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	120.9423	0.251	4	120.8787	0.310	9	121.3290	0.433	20	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.1240	0.000	1	120.8787	0.310	9	121.3290	0.433	20	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|Br<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	120.7200	0.000	1	120.8787	0.310	9	121.3290	0.433	20	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.4135	0.309	2	120.8787	0.310	9	121.3290	0.433	20	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a,6a]C[5a,6a,6a]B[3x6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a,6a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a,6a]C[6a])(C[5a]C[5a,6a,6a]N)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a,6a]C[5a,6a,6a]B[3x6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a,6a]C[5a,6a])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a,6a]C[6a])(C[5a]C[5a,6a,6a]N)(C[6a]C[6a]H){1|C<3>,2|B<4>,2|H<1>}	119.9090	0.000	1	119.9090	0.000	1	119.9090	0.000	1	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[5,6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[5,6a]H){1|H<1>,1|O<2>,3|C<3>}	121.8300	0.000	1	121.8300	0.000	1	122.7100	1.549	2	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[5,6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[5,6a]H){1|H<1>,1|O<2>,3|C<3>}	123.5900	0.000	1	123.5900	0.000	1	122.7100	1.549	2	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	120.5950	0.000	1	120.5950	0.000	1	120.7923	0.184	3	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	120.8910	0.556	2	120.8910	0.309	2	120.7923	0.184	3	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.8293	1.213	3	120.3319	0.894	7	121.6493	1.404	44	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.7087	0.603	4	120.3319	0.894	7	121.6493	1.404	44	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	120.7310	0.000	1	120.7310	0.000	1	121.6493	1.404	44	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.3010	0.000	1	121.1964	1.085	5	121.6493	1.404	44	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){5|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	122.2530	0.000	1	121.1964	1.085	5	121.6493	1.404	44	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	121.0010	0.000	1	121.1964	1.085	5	121.6493	1.404	44	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.2135	0.182	2	121.1964	1.085	5	121.6493	1.404	44	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.8610	0.000	1	122.0774	1.489	10	121.6493	1.404	44	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.3427	0.824	4	122.0774	1.489	10	121.6493	1.404	44	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	123.1123	0.349	4	122.0774	1.489	10	121.6493	1.404	44	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.0930	0.000	1	122.0774	1.489	10	121.6493	1.404	44	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	122.3230	0.000	1	122.3230	0.000	1	121.6493	1.404	44	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]Cl)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|Cl<1>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]Cl)(C[6a]C[6a]H){2|H<1>,3|C<3>}	123.2150	0.000	1	123.2150	0.000	1	121.6493	1.404	44	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	119.6270	0.000	1	122.0283	1.003	10	121.6493	1.404	44	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|C<2>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	121.7310	0.000	1	122.0283	1.003	10	121.6493	1.404	44	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.5240	0.282	3	122.0283	1.003	10	121.6493	1.404	44	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){5|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	122.5290	0.000	1	122.0283	1.003	10	121.6493	1.404	44	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|C<2>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	121.9400	0.000	1	122.0283	1.003	10	121.6493	1.404	44	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	122.7140	0.000	1	122.0283	1.003	10	121.6493	1.404	44	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.9630	0.000	1	122.0283	1.003	10	121.6493	1.404	44	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|Cl<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	121.2070	0.000	1	122.0283	1.003	10	121.6493	1.404	44	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]N)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|F<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]N)(C[6a]C[6a]H){1|F<1>,1|H<1>,3|C<3>}	121.7940	0.000	1	121.7940	0.000	1	121.6493	1.404	44	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	122.5200	0.000	1	122.5200	0.000	1	121.6493	1.404	44	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.5430	0.000	1	122.2253	0.449	3	121.6493	1.404	44	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.5665	0.448	2	122.2253	0.449	3	121.6493	1.404	44	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]N[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]N[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]N[6a]H)(H){4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]N[6a]H){1|H<1>,3|C<3>}	121.0320	0.000	1	121.0320	0.000	1	121.6493	1.404	44	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	123.4610	0.000	1	123.4610	0.000	1	121.6493	1.404	44	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a,6a]O)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.5980	0.000	1	120.5980	0.000	1	121.6493	1.404	44	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a,6a]O)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.8570	0.000	1	120.8570	0.000	1	121.6493	1.404	44	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	121.8450	0.000	1	121.5735	0.147	2	121.5735	0.147	2	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.3020	0.000	1	121.5735	0.147	2	121.5735	0.147	2	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](N[5a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)2	C[5a,6a](N[5a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)2{1|H<1>,1|O<2>,7|C<3>}	123.4930	0.072	2	123.4930	0.005	2	123.4930	0.005	2	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a]B[5x3,5x5,20x6]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](N[5a]B[5x3,5x5,20x6]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<6>,2|H<1>,3|C<3>,4|B<6>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<6>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|B<6>,3|C<3>,3|H<1>}	119.8588	0.614	4	119.8588	0.377	4	119.8588	0.377	4	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a]B[5x3,5x5,20x6]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](N[5a]B[5x3,5x5,20x6]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|C<6>,4|B<6>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<6>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|B<6>,1|C<3>,3|H<1>}	121.1970	0.147	2	121.1970	0.022	2	121.1970	0.022	2	120.6502	2.505	14603	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,5a]-4:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]C[5a,6a]3)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,5a]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]C[5a,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	118.0905	0.328	8	118.0905	0.108	8	118.0905	0.108	8	119.6334	4.461	24	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-4:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	118.7460	0.369	9	118.7460	0.136	9	118.7460	0.136	9	119.6334	4.461	24	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-4:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]N[5a]C[6]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<4>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]N[5a]C[6]2)(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	120.3930	0.000	1	120.3930	0.000	1	120.3930	0.000	1	119.6334	4.461	24	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-4:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]CC)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<4>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]CC)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	120.5180	0.000	1	120.5180	0.000	1	120.5180	0.000	1	119.6334	4.461	24	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-4:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]Li2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H){2|Li<4>,1|B<3>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|N<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]Li2)(C[6a]C[6a]H){1|B<3>,1|C<3>,3|H<1>}	121.9900	0.000	1	121.9900	0.000	1	121.9900	0.000	1	119.6334	4.461	24	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	C[5a,6a](C[5a,6a]B[5a]C[6a])(N[5,5a]N[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(B[5a]N[5,5a]CC)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]B[5a]C[6a])(N[5,5a]N[5,5a]C[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|B<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(B[5a]N[5,5a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	123.7157	0.591	4	123.7157	0.349	4	123.7157	0.349	4	119.6334	4.461	24	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:2:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:O[5a]-2:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]O[5a])(C[6a]C[5a]N[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]O[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]O[5a])(C[6a]C[5a]N[6a]){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]O[5a])(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(N[6a]C[6a]){1|N<2>,1|N<3>,3|C<3>}	112.8330	0.000	1	112.8330	0.000	1	112.8330	0.000	1	114.9852	1.584	5	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:2:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:O-2:	C[5a,6a]-3:N[6a]-2:O[5a]-2:	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[6a]C[6a,6a]O)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(OC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a])(O[5a]C[5a])	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[6a]C[6a,6a]O)(C[5a]C[5a]H){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(OC){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a])(O[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	115.5233	0.426	4	115.5233	0.182	4	115.5233	0.182	4	114.9852	1.584	5	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CN)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CN){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	117.4930	0.000	1	117.4930	0.000	1	117.4930	0.000	1	119.1600	8.103	4	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(OC){2|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|O<2>,3|C<3>}	116.8540	0.000	1	116.8540	0.000	1	117.9805	2.538	2	119.1600	8.103	4	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(OC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]O){1|H<1>,2|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(OC){2|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]O){2|O<2>,3|C<3>}	119.1070	0.000	1	119.1070	0.000	1	117.9805	2.538	2	119.1600	8.103	4	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]Cl)(OC)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]O){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]Cl)(OC){1|C<4>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>}	123.1860	0.000	1	123.1860	0.000	1	123.1860	0.000	1	119.1600	8.103	4	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]S[5a])(CC)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[6a]C[5a,6a]C)(S[5a]C[5a,5a])	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C){1|C<2>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]S[5a])(CC){2|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[6a]C[5a,6a]C)(S[5a]C[5a,5a]){1|C<2>,1|S<2>,3|C<3>}	119.0090	0.000	1	119.0090	0.000	1	119.0090	0.000	1	117.5510	3.297	58	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]O)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]S[5a])(OC)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[6a]C[5a,6a]O)(S[5a]C[5a,5a])	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]O){1|O<2>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]S[5a])(OC){2|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[6a]C[5a,6a]O)(S[5a]C[5a,5a]){1|O<2>,1|S<2>,3|C<3>}	120.0090	0.074	2	120.0090	0.005	2	120.0090	0.005	2	117.5510	3.297	58	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a,6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]C)(OC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[6a]C[6a]O){1|C<4>,1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]C)(OC){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]C[5a,6a]){1|H<1>,1|O<2>,5|C<3>}	117.3260	0.000	1	117.3260	0.000	1	117.3260	0.000	1	117.5510	3.297	58	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a]){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(N[6a]C[6a]){1|C<4>,1|N<2>,3|C<3>}	114.6430	0.000	1	114.6430	0.000	1	114.6430	0.000	1	117.5510	3.297	58	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(CN)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Cl)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]C){1|Cl<1>,1|C<2>,1|C<3>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(CN){1|Cl<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Cl)(O[5a]C[5a]){1|Cl<1>,1|C<3>,1|N<3>,2|C<2>}	120.0170	0.000	1	120.0170	0.000	1	119.1395	1.540	2	117.5510	3.297	58	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(CN)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]C){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(CN){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	118.2620	0.000	1	118.2620	0.000	1	119.1395	1.540	2	117.5510	3.297	58	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[6a]N[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a]){1|N<3>,1|O<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[6a]N[6a]){1|N<2>,1|N<3>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)(N[5a]N[5a]){1|N<2>,4|C<3>}	117.2710	0.175	2	117.2710	0.031	2	117.2710	0.031	2	117.5510	3.297	58	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a]){1|C<4>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<3>,2|N<2>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,2|C<3>}	115.5315	0.424	2	115.5315	0.179	2	115.5315	0.179	2	117.5510	3.297	58	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6,6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6,6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6,6a]H)(OC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6,6a]C[6])(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6,6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6,6a]H)(OC){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6,6a]C[6])(O[5a]C[5a]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	118.4760	0.597	3	118.4760	0.356	3	118.4760	0.356	3	117.5510	3.297	58	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(OC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(OC){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	119.1780	0.000	1	119.1780	0.000	1	119.1780	0.000	1	117.5510	3.297	58	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]O){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){2|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){2|O<2>,3|C<3>}	115.6420	0.000	1	115.6420	0.000	1	117.3809	1.563	8	117.5510	3.297	58	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]O){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	116.4080	0.089	2	116.5453	0.061	3	117.3809	1.563	8	117.5510	3.297	58	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]O){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){2|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,2|C<3>,2|O<2>}	116.8200	0.000	1	116.5453	0.061	3	117.3809	1.563	8	117.5510	3.297	58	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(OC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]O){1|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(OC){1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	118.0860	0.000	1	118.0860	0.000	1	117.3809	1.563	8	117.5510	3.297	58	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]O){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|O<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,2|C<3>,2|O<2>}	118.1480	0.044	2	118.5610	0.513	3	117.3809	1.563	8	117.5510	3.297	58	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]O){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	119.3870	0.000	1	118.5610	0.513	3	117.3809	1.563	8	117.5510	3.297	58	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(OC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(OC){1|C<2>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<2>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	119.2970	0.000	1	119.2970	0.000	1	117.7922	1.164	4	117.5510	3.297	58	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]O){1|Fe<10>,1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	117.5625	0.169	2	117.5625	0.029	2	117.7922	1.164	4	117.5510	3.297	58	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OS)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]O){1|C<2>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OS){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(S[5a]C[5a]){1|H<1>,1|O<2>,3|C<3>}	116.7470	0.000	1	116.7470	0.000	1	117.7922	1.164	4	117.5510	3.297	58	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]O){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,2|H<1>}	116.5155	2.497	2	116.5155	6.234	2	116.4596	1.999	5	117.5510	3.297	58	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]O){1|C<2>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a]){1|C<2>,1|C<3>,1|O<2>,2|H<1>}	116.9540	0.236	2	116.9540	0.056	2	116.4596	1.999	5	117.5510	3.297	58	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(OC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]O){1|C<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(OC){1|C<4>,1|H<1>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	115.3590	0.000	1	115.3590	0.000	1	116.4596	1.999	5	117.5510	3.297	58	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:S-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]S)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(SC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]S){1|C<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(SC){1|C<3>,1|C<4>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|C<4>,1|S<2>,2|C<3>}	115.2080	0.000	1	115.2080	0.000	1	115.2080	0.000	1	117.5510	3.297	58	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5,6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]O)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(OC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]O)(C[5a]C[5a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(OC){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	117.4010	0.223	2	117.4010	0.050	2	117.4010	0.050	2	117.5510	3.297	58	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]C)(C[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(CC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]C)(C[5a]C[5a]C){1|C<2>,1|C<3>,1|N<3>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(CC){1|C<2>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C)(O[5a]C[5a]){1|N<3>,2|C<2>,2|C<3>}	119.3020	0.281	2	119.3020	0.079	2	119.3020	0.079	2	117.5510	3.297	58	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]O)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(OC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]O)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]O)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|O<2>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(OC){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]O)(S[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	119.3720	0.000	1	119.5870	0.092	2	119.5870	0.092	2	117.5510	3.297	58	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]O)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(OC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]O)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]O)(C[5a]C[5a]H){1|O<2>,1|S<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(OC){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]O)(S[5a]C[5a]){1|H<1>,1|O<2>,3|C<3>}	119.8020	0.000	1	119.5870	0.092	2	119.5870	0.092	2	117.5510	3.297	58	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a]N[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]O[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a]N[6a])(C[5a]N[5a]H){1|C<4>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]O[5a])(N[6a]C[6a]){1|N<3>,2|C<3>,2|N<2>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|C<3>,1|N<2>,2|H<1>}	115.6790	0.000	1	115.6790	0.000	1	115.6790	0.000	1	117.5510	3.297	58	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6,6a]O)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(OH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6,6a]O)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6,6a]O)(C[5a]C[5a]H){1|C<4>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(OH){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6,6a]O)(O[5a]C[5a]){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	117.9000	0.000	1	117.9000	0.000	1	118.9945	2.396	2	117.5510	3.297	58	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6,6a]O)(C[5a]N[5a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(OC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6,6a]H)(O[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6,6a]O)(C[5a]N[5a]O){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(OC){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|O<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6,6a]H)(O[5a]N[5a]){1|C<3>,1|C<4>,2|O<2>}	120.0890	0.000	1	120.0890	0.000	1	118.9945	2.396	2	117.5510	3.297	58	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]O)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(OC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]O)(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(OC){1|H<1>,1|O<1>,2|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(O[5a]C[5a]){1|C<3>,2|H<1>,2|O<2>}	117.9430	0.000	1	117.3593	0.173	4	117.3858	0.133	5	117.5510	3.297	58	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]O)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(OC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]O)(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(OC){2|H<1>,2|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(O[5a]C[5a]){1|C<3>,2|H<1>,2|O<2>}	117.1647	0.181	3	117.3593	0.173	4	117.3858	0.133	5	117.5510	3.297	58	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]O)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(OC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]O)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]O)(C[5a]C[5a]H){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(OC){2|H<1>,2|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]O)(O[5a]C[5a]){1|C<3>,2|H<1>,2|O<2>}	117.4920	0.000	1	117.4920	0.000	1	117.3858	0.133	5	117.5510	3.297	58	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]Cl)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]Cl){1|C<4>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|Cl<1>,1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	115.1870	0.000	1	115.1870	0.000	1	115.4659	0.110	8	117.5510	3.297	58	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){1|B<3>,1|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|N<3>,3|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]){1|B<3>,1|C<3>,1|N<2>,2|H<1>}	115.8560	0.000	1	115.5067	0.136	6	115.4659	0.110	8	117.5510	3.297	58	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){1|C<4>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|N<3>,3|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	115.3918	0.406	4	115.5067	0.136	6	115.4659	0.110	8	117.5510	3.297	58	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){1|C<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|N<3>,3|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]){1|N<2>,2|C<3>,2|H<1>}	115.6170	0.000	1	115.5067	0.136	6	115.4659	0.110	8	117.5510	3.297	58	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]S){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|N<3>,1|S<2>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	115.5000	0.000	1	115.5000	0.000	1	115.4659	0.110	8	117.5510	3.297	58	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[5])(NN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]N[5a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[5])(NN){2|H<1>,2|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|N<2>,2|H<1>}	122.1190	0.000	1	122.1190	0.000	1	122.1190	0.000	1	117.5510	3.297	58	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]H){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,4|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(N[6a]C[6a]){1|C<3>,1|N<2>,3|H<1>}	119.1320	0.000	1	119.1320	0.000	1	119.1320	0.000	1	117.5510	3.297	58	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC){1|C<4>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]C[5a]){1|O<2>,2|C<3>,2|C<4>}	122.5970	0.000	1	122.5970	0.000	1	122.5970	0.000	1	117.5510	3.297	58	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	117.2250	0.000	1	117.2250	0.000	1	117.2250	0.000	1	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	118.2640	0.000	1	118.2640	0.000	1	118.2110	0.006	2	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(OC[6])	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(OC[6]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	118.1580	0.000	1	118.1580	0.000	1	118.2110	0.006	2	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:S-2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]S)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(SC[6a])	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]S)	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]S){1|B<4>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(SC[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]S){1|B<4>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	120.7475	0.500	2	121.1240	0.419	6	121.1240	0.419	6	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:S-2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]S)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(SC[6a])	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]S)	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]S){1|Si<6>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(SC[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]S){1|Si<6>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	121.3123	0.689	4	121.1240	0.419	6	121.1240	0.419	6	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2)(CC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C){1|C<2>,1|H<1>,1|O<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2)(CC){1|O<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[5a,6a]C){1|C<2>,4|C<3>}	120.2030	0.000	1	120.2030	0.000	1	120.2030	0.000	1	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(OC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]O)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]O){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(OC){1|C<4>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]O)(N[5a]C[5a,6a]C){1|O<2>,4|C<3>}	120.8770	0.000	1	120.8770	0.000	1	120.6535	0.100	2	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(OC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]O)(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]O){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(OC){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]O)(N[5a]C[5a,6a]H){1|O<2>,4|C<3>}	120.4300	0.000	1	120.4300	0.000	1	120.6535	0.100	2	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a]N[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]O[5a])(N[6a]N[6a])	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a]N[6a])	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a]N[6a]){1|H<1>,1|N<2>,1|O<2>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]O[5a])(N[6a]N[6a]){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a]N[6a]){1|H<1>,1|N<2>,1|O<2>,5|C<3>}	117.7775	0.196	4	117.7775	0.039	4	117.7775	0.039	4	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(CN)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(CN){1|N<3>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]O){1|C<2>,4|C<3>}	119.7440	0.000	1	119.7440	0.000	1	117.7390	3.128	3	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CN)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CN){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	116.7365	0.474	2	116.7365	0.225	2	117.7390	3.128	3	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,5a,6a]C[6a])(C[5a,6a]C[5a,5a]C[6a])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(OC)	C[5a,6a](C[5a,5a]N[5a,5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a,6a]C[6a])(C[5a,6a]C[5a,5a]C[6a])(C[6a]C[6a]O){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(OC){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,5a]N[5a,5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|O<2>,4|C<3>}	119.7970	0.000	1	119.7970	0.000	1	119.7970	0.000	1	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5,6a]N[5a])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5,6a]H)(OH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5,6a]N[5a])(C[6a]C[6a]O){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5,6a]H)(OH){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(N[5a]C[5a,6a]C){1|N<3>,1|O<1>,1|O<2>,4|C<3>}	122.0700	0.000	1	122.0700	0.000	1	122.0700	0.000	1	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]C)(OH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]O){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]C)(OH){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C){1|H<1>,1|O<2>,5|C<3>}	120.7560	0.048	2	120.7560	0.002	2	120.7560	0.002	2	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]H)(OC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]C[6])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]H)(OC){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]C[6])(N[5a]C[5a,6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	118.3250	0.000	1	118.3250	0.000	1	118.3250	0.000	1	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|C<2>,1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OC){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|O<2>,6|C<3>}	120.1470	0.000	1	120.1470	0.000	1	118.9757	0.787	29	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OC){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|O<2>,4|C<3>}	118.9837	0.312	3	118.9714	0.206	5	118.9757	0.787	29	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|S<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OC){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|O<2>,4|C<3>}	118.9530	0.793	2	118.9714	0.206	5	118.9757	0.787	29	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OH){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){1|O<2>,6|C<3>}	119.7170	0.000	1	119.7170	0.000	1	118.9757	0.787	29	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|C<2>,1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OH){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){1|O<2>,4|C<3>}	120.2040	0.000	1	119.9585	0.121	2	118.9757	0.787	29	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|C<2>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OH){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){1|O<2>,4|C<3>}	119.7130	0.000	1	119.9585	0.121	2	118.9757	0.787	29	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|C<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OH){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|O<2>,6|C<3>}	119.2630	0.228	4	119.2630	0.052	4	118.9757	0.787	29	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|C<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OH){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){1|C<4>,1|O<2>,3|C<3>}	119.5610	0.000	1	119.5610	0.000	1	118.9757	0.787	29	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|S<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OH){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	119.2750	0.000	1	119.1310	0.073	6	118.9757	0.787	29	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|S<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OH){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|O<2>,4|C<3>}	119.1022	0.291	5	119.1310	0.073	6	118.9757	0.787	29	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	116.4770	0.000	1	116.4770	0.000	1	118.9757	0.787	29	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	117.4625	0.350	2	118.6773	0.931	6	118.9757	0.787	29	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	119.2848	0.187	4	118.6773	0.931	6	118.9757	0.787	29	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|N<2>,1|S<4>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(OC){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|O<2>}	118.8470	0.000	1	118.8470	0.000	1	118.9757	0.787	29	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(OS)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(OS){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	116.8690	0.000	1	116.8690	0.000	1	118.9757	0.787	29	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2)(CC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[5a,6a]C){1|C<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2)(CC){1|O<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C){1|C<2>,1|H<1>,1|O<1>,4|C<3>}	123.4290	0.000	1	123.4290	0.000	1	123.4290	0.000	1	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-2:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[5a])(CC)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[5a,6a]C){1|C<2>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[5a])(CC){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C){1|C<2>,2|H<1>,4|C<3>}	120.9360	0.000	1	120.9360	0.000	1	120.9495	0.133	4	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-2:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[5a])(CC)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[5a,6a]C){1|C<2>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[5a])(CC){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C){1|C<2>,2|H<1>,4|C<3>}	120.9540	0.446	3	120.9540	0.199	3	120.9495	0.133	4	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[5a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]S[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[5a]N[6a]){1|H<1>,1|S<2>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]S[5a])(N[6a]C[6a]){1|H<1>,1|N<3>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H){1|N<2>,6|C<3>}	116.1020	0.000	1	116.1020	0.000	1	116.1020	0.000	1	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CN)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CN){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<2>,1|C<3>,3|H<1>}	117.8010	0.000	1	117.8010	0.000	1	119.9943	2.241	4	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(CC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<2>,1|C<4>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(CC){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	120.7253	0.393	3	120.7253	0.155	3	119.9943	2.241	4	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CN)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CN){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){2|C<2>,2|H<1>,3|C<3>}	117.9110	0.000	1	117.9110	0.000	1	117.9110	0.000	1	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]O)(CN)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[3])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|O<2>,2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]O)(CN){1|N<3>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[3]){1|C<2>,2|H<1>,3|C<4>,4|C<3>}	119.2340	0.000	1	119.2340	0.000	1	119.2340	0.000	1	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(NN)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]N){1|C<3>,1|O<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(NN){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	118.9710	0.000	1	118.9710	0.000	1	118.9710	0.000	1	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(NC[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]N){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(NC[6a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	120.2160	0.000	1	120.2160	0.000	1	120.2160	0.000	1	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,7|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<3>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H){1|N<2>,6|C<3>}	117.7160	0.000	1	117.7160	0.000	1	117.7160	0.000	1	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]O){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]O){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	121.0370	0.034	2	120.9996	0.175	18	120.8966	0.329	26	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]O){1|Co<4>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]O){1|Co<4>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	121.1145	0.599	8	120.9996	0.175	18	120.8966	0.329	26	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]O){1|Ru<6>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]O){1|Ru<6>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	120.8754	0.178	8	120.9996	0.175	18	120.8966	0.329	26	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]O){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]O){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	120.6538	0.410	4	120.6538	0.168	4	120.8966	0.329	26	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]O){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]O){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	121.6885	0.177	2	121.6885	0.032	2	120.8966	0.329	26	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]O[5a]H)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]O[5a]H)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]O[5a]H)(C[6a]C[6a]O){1|C<3>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]O[5a]H)(C[6a]C[6a]O){1|C<3>,1|O<2>,2|H<1>}	119.6635	0.021	2	119.6635	0.000	2	120.8966	0.329	26	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|O<2>}	117.4700	0.000	1	117.4700	0.000	1	118.7163	2.288	29	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	118.7830	0.000	1	118.7750	0.000	2	118.7163	2.288	29	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O){1|Si<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Si<4>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	118.7670	0.000	1	118.7750	0.000	2	118.7163	2.288	29	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	117.9306	0.866	5	117.6712	1.003	6	118.7163	2.288	29	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|O<2>,2|C<3>,2|H<1>}	116.3740	0.000	1	117.6712	1.003	6	118.7163	2.288	29	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC[5])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC[5]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	117.1220	0.000	1	117.1220	0.000	1	118.7163	2.288	29	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	118.2957	0.323	4	118.2957	0.104	4	118.7163	2.288	29	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]O){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|O<2>}	117.2000	0.136	2	117.2000	0.018	2	118.7163	2.288	29	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]O){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|O<2>,2|C<3>,2|H<1>}	117.8580	0.000	1	117.8580	0.000	1	118.7163	2.288	29	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[5])(OH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[5])(OH){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|O<2>,3|H<1>}	119.0700	0.000	1	119.0700	0.000	1	118.7163	2.288	29	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[5])(OS)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[5])(OS){2|H<1>,2|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|O<2>,3|H<1>}	117.5980	0.000	1	117.5980	0.000	1	118.7163	2.288	29	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]O){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|H<1>,2|C<3>,2|O<2>}	118.0330	0.000	1	118.0330	0.000	1	118.7163	2.288	29	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]C[5a]C){1|O<2>,2|C<3>,2|H<1>}	120.2200	0.228	2	120.2200	0.052	2	118.7163	2.288	29	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]O){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	118.3460	0.000	1	118.3460	0.000	1	118.7163	2.288	29	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(OC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(OC){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|Cl<1>,1|C<3>,1|H<1>,1|O<2>}	120.3525	0.086	2	120.3525	0.007	2	118.7163	2.288	29	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(OH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]O){2|Br<1>,1|C<3>,1|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(OH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(N[5a]N[5a]C){1|C<3>,1|O<2>,2|H<1>}	122.2670	0.590	2	122.2670	0.348	2	118.7163	2.288	29	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]O){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	120.3100	0.000	1	120.2190	0.017	2	118.7163	2.288	29	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]O){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	120.1280	0.000	1	120.2190	0.017	2	118.7163	2.288	29	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	119.5770	0.000	1	119.5770	0.000	1	119.5770	0.000	1	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Ir)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O){1|Ir<4>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Ir)(C[6a]C[6a]C){1|C<3>,2|C<4>,2|O<2>}	119.3550	0.020	2	119.3550	0.000	2	119.2830	0.009	4	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Rh)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O){1|Rh<4>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Rh)(C[6a]C[6a]C){1|C<3>,2|C<4>,2|O<2>}	119.2110	0.071	2	119.2110	0.005	2	119.2830	0.009	4	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	N[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](N[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](N[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	119.0950	0.000	1	119.0950	0.000	1	119.0950	0.000	1	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:S-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]S)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(SC[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]S)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]S){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(SC[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]S){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	121.5130	0.308	2	121.5130	0.095	2	121.5130	0.095	2	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:S-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]S)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(SC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]S){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(SC){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	119.1240	0.078	2	119.1240	0.006	2	119.1240	0.006	2	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C)(C[5a]N[5a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])2(CC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C)(C[5a]N[5a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C)(C[5a]N[5a]O){1|C<2>,1|C<4>,1|O<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])2(CC){2|N<3>,2|O<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C)(C[5a]N[5a]O){1|C<2>,1|C<4>,1|O<1>,2|C<3>}	123.0880	0.223	12	123.0880	0.050	12	123.0880	0.050	12	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]O)(C[5a]N[5a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])2(OH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]O)(C[5a]N[5a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]O)(C[5a]N[5a]O){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])2(OH){2|N<3>,2|O<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]O)(C[5a]N[5a]O){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	122.8240	2.393	2	122.8240	5.726	2	122.8240	5.726	2	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a]N[6a])(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]O[5a])(N[6a]N[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a]N[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a]N[6a])(C[5a]C[5a]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]O[5a])(N[6a]N[6a]){3|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a]N[6a])(C[5a]C[5a]H){1|N<2>,1|O<2>,2|C<3>,3|H<1>}	118.6595	0.412	2	118.6595	0.170	2	118.6595	0.170	2	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[6a]N[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[6a]N[6a]){1|N<2>,1|N<3>,3|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)(N[5a]N[5a]C){1|C<3>,1|N<2>,2|H<1>}	120.4400	0.000	1	120.4400	0.000	1	120.4400	0.000	1	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O[6a])(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O[6a])(C[5a]C[5a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O[6a]C[6a]){3|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|O<2>,2|H<1>,4|C<3>}	119.1380	0.000	1	119.1380	0.000	1	119.1380	0.000	1	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:Se-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Se)(C[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(SeC[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Se)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(SeC[6a]){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]C[5a]C){1|Se<2>,2|C<3>,2|H<1>}	118.4435	0.425	2	118.4435	0.181	2	118.4435	0.181	2	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])2(CN)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])2(CN){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C){1|C<2>,2|H<1>,4|C<3>}	122.6965	0.370	2	122.6965	0.137	2	122.6965	0.137	2	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]O)(N[5a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(OC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]O)(N[5a]C[5a,6a]C){1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(OC){1|C<4>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]O){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	121.4180	0.000	1	121.4180	0.000	1	121.8480	0.370	2	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]O)(N[5a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(OC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]O)(N[5a]C[5a,6a]H){1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(OC){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]O){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	122.2780	0.000	1	122.2780	0.000	1	121.8480	0.370	2	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a]N[6a])(N[5a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]N[5a]2)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a]N[6a])(N[5a]C[5a,6a]H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]N[5a]2)(N[6a]C[6a]){3|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	119.8210	0.219	2	119.8210	0.048	2	119.8210	0.048	2	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[5a]N[6a])(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[5a]N[6a])(N[5a]C[5a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a]){1|N<3>,2|H<1>,6|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){1|N<2>,3|C<3>,3|H<1>}	122.1680	0.000	1	122.1680	0.000	1	122.1680	0.000	1	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CC){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<2>,1|C<4>,1|O<2>,2|C<3>}	121.2560	0.384	3	121.2560	0.147	3	121.0910	0.207	4	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]P)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]P){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC){1|F<1>,1|P<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|F<1>,1|H<1>,1|P<4>}	120.5960	0.000	1	120.5960	0.000	1	121.0910	0.207	4	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C[6a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a,6a]H){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C[6a])(N[6a]C[6a]){3|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	120.8900	0.000	1	120.8900	0.000	1	120.7990	0.017	2	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a,6a]H){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|Cl<1>,3|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	120.7080	0.000	1	120.7080	0.000	1	120.7990	0.017	2	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]C[5a]C){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.9410	0.089	2	120.9410	0.008	2	121.3711	0.620	8	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]C[5a]C){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	120.6805	0.086	2	120.6805	0.007	2	121.3711	0.620	8	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C[5])(OS)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C[5])(OS){1|N<3>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|H<1>}	121.1150	0.000	1	121.1150	0.000	1	121.3711	0.620	8	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	122.0140	0.000	1	122.0140	0.000	1	121.3711	0.620	8	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]N[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	121.6650	0.000	1	121.6650	0.000	1	121.3711	0.620	8	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]N[5a]H){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]N){1|C<3>,1|O<2>,2|H<1>}	122.9320	0.000	1	122.9320	0.000	1	121.3711	0.620	8	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Se)(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]C[5a]C){1|Se<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Se)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	122.5225	0.837	2	122.5225	0.700	2	122.5225	0.700	2	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[5a])(CC)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[6a]C[5a,6a]C)(C[5a]C[5a,6]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[5a,6a]C){1|C<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[5a])(CC){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[6a]C[5a,6a]C)(C[5a]C[5a,6]H){1|C<2>,1|N<3>,3|C<3>}	123.3660	0.000	1	123.3660	0.000	1	123.3660	0.000	1	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	121.7080	0.000	1	121.7080	0.000	1	121.7080	0.000	1	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6,6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(OC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6,6a]O){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(OC){2|C<4>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	120.9160	0.000	1	121.1425	0.103	2	121.1425	0.103	2	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6,6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(OC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6,6a]O){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(OC){2|C<4>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	121.3690	0.000	1	121.1425	0.103	2	121.1425	0.103	2	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CN)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CN){1|C<4>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|C<2>,1|C<4>,1|H<1>,4|C<3>}	120.7600	0.000	1	120.7600	0.000	1	121.2248	0.954	27	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC){2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,1|H<1>,2|C<4>,3|C<3>}	119.4623	0.284	3	119.4623	0.080	3	121.2248	0.954	27	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	121.4749	0.788	23	121.4749	0.621	23	121.2248	0.954	27	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<3>}	121.1630	0.000	1	121.1630	0.000	1	121.1630	0.000	1	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5,6a]Si)(OH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[5a,6a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]O){1|Si<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5,6a]Si)(OH){1|C<4>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[5a,6a]C[6a]N[5a]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,1|S<4>,3|C<3>}	121.3350	0.000	1	121.3350	0.000	1	121.3350	0.000	1	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(OH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]O){5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(OH){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	121.0960	0.000	1	121.0960	0.000	1	121.5681	0.454	15	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(OH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]O){1|C<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(OH){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	120.5910	0.000	1	120.5910	0.000	1	121.5681	0.454	15	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]O){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	121.2090	0.000	1	121.2090	0.000	1	121.5681	0.454	15	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(OC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(OC){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	121.5020	0.000	1	121.5020	0.000	1	121.5681	0.454	15	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(OH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]O){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(OH){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	120.9050	0.000	1	121.7669	0.321	8	121.5681	0.454	15	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(OH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]O){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(OH){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	121.8900	0.482	7	121.7669	0.321	8	121.5681	0.454	15	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	121.5450	0.000	1	121.5450	0.000	1	121.5681	0.454	15	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	122.8270	0.000	1	122.8270	0.000	1	121.5681	0.454	15	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC){1|C<4>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,1|S<4>,3|C<3>}	120.6160	0.000	1	120.6160	0.000	1	121.5681	0.454	15	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(OC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]O){1|C<2>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(OC){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<2>}	120.7470	0.000	1	120.7470	0.000	1	120.7470	0.000	1	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:S-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(SC[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]S){2|H<1>,2|N<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(SC[6a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	120.9880	0.000	1	120.9880	0.000	1	120.9880	0.000	1	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	N[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]O)(OC)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	C[5a,6a](N[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]O)(OC){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){2|O<2>,3|C<3>}	118.3340	0.000	1	118.3340	0.000	1	118.3340	0.000	1	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[5a])(CC)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[5a,6a]C)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C){1|C<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[5a])(CC){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[5a,6a]C){1|C<2>,1|N<3>,3|C<3>}	123.3600	0.648	3	123.3600	0.420	3	123.3600	0.420	3	120.3683	2.949	230	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:2:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C-3:	C[5a,6a]-3:N[5a]-2:O[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]O[6a])(C[6a]C[6a,6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a,6a]2)(CC[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(O[6a]C[6a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]O[6a])(C[6a]C[6a,6a]C){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a,6a]2)(CC[6a]C){1|N<2>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(O[6a]C[6a,6a]){5|C<3>}	121.3120	0.000	1	121.3120	0.000	1	121.3120	0.000	1	118.8110	7.060	27	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:2:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:O[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]O[6a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(O[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]O[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|O<2>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(O[6a]C[6a]){5|C<3>}	119.4330	0.000	1	119.4330	0.000	1	119.4330	0.000	1	118.8110	7.060	27	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:2:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:S[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]S[6a])(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(S[6a]C[6a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]S[6a])(C[6a]C[6a,6a]C[6a]){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){1|N<2>,1|S<2>,3|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(S[6a]C[6a,6a]){5|C<3>}	124.6357	0.119	3	124.6357	0.014	3	124.6357	0.014	3	118.8110	7.060	27	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:2:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(CCH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]C){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(CCH){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|S<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a]){1|C<4>,1|N<3>,3|C<3>}	117.1855	0.243	2	117.1855	0.059	2	117.1855	0.059	2	118.8110	7.060	27	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:2:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:O[5a]-2:	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(O[5a]C[5a])	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]2){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(O[5a]C[5a]){1|N<3>,4|C<3>}	116.4390	0.000	1	116.4390	0.000	1	116.4390	0.000	1	118.8110	7.060	27	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:2:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,1|N<2>,1|S<2>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	117.4390	0.226	3	117.4390	0.051	3	117.0970	0.124	8	118.8110	7.060	27	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:2:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]2){1|C<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,1|N<2>,1|N<3>,1|S<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a]){1|C<2>,1|C<4>,1|N<3>,2|C<3>}	116.8915	0.319	2	116.9280	0.060	4	117.0970	0.124	8	118.8110	7.060	27	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:2:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]2){5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,1|N<2>,1|N<3>,1|S<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a]){1|C<4>,1|N<3>,3|C<3>}	117.1560	0.000	1	116.9280	0.060	4	117.0970	0.124	8	118.8110	7.060	27	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:2:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]2){5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,1|N<3>,1|S<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a]){1|N<3>,4|C<3>}	116.7730	0.000	1	116.9280	0.060	4	117.0970	0.124	8	118.8110	7.060	27	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:2:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]2){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,1|S<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a]){1|N<3>,4|C<3>}	116.7470	0.000	1	116.7470	0.000	1	117.0970	0.124	8	118.8110	7.060	27	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:2:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:N[6a]-2:O[5a]-2:	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(NCH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]N[6a])(O[5a]C[5a])	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]N){1|C<4>,1|H<1>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]N[6a])(O[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	116.1820	0.212	2	116.1820	0.045	2	116.1820	0.045	2	118.8110	7.060	27	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:2:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]N){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NHH){1|C<3>,1|N<2>,1|S<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a]){2|C<3>,3|N<3>}	116.5160	0.000	1	116.5160	0.000	1	116.5160	0.000	1	118.8110	7.060	27	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:O[5a]-2:	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[6a]C[5,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[5,6a])(O[5a]N[5a])	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[6a]C[5,6a]C[6a])(C[5a]N[5a]C){4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<2>,2|O<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[5,6a])(O[5a]N[5a]){2|C<3>,2|C<4>}	119.4760	0.000	2	119.4760	0.000	2	119.4760	0.000	2	118.8110	7.060	27	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[5a,6a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|C<4>,1|N<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){1|Cl<1>,1|N<2>,2|H<1>,2|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[5a,6a])(S[5a]C[5a]){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	118.6785	0.207	2	118.6785	0.043	2	118.6785	0.043	2	118.8110	7.060	27	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:O[5a]-2:	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a])(O[5a]N[5a])	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a]){6|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|O<1>,1|O<2>,2|N<2>,3|C<3>,3|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a])(O[5a]N[5a]){4|C<3>}	119.2110	0.000	1	119.2110	0.000	1	119.2110	0.000	1	118.8110	7.060	27	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a]H){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|N<3>,3|H<1>}	117.6530	0.000	1	117.6530	0.000	1	120.4193	5.877	3	118.8110	7.060	27	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]N[5a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl)(NHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a])(N[6a]N[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]N[5a]O){1|Cl<1>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl)(NHH){1|O<1>,3|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a])(N[6a]N[6a]){1|C<3>,1|N<3>,1|O<1>}	121.8025	0.525	2	121.8025	0.276	2	120.4193	5.877	3	118.8110	7.060	27	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(COO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(COO){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,4|C<3>}	117.5620	0.000	1	117.5620	0.000	1	117.5620	0.000	1	119.4029	6.666	27	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:B[5]-3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]B[5])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(B[5]O[5]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]B[5]){2|O<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(B[5]O[5]2){1|H<1>,1|S<2>,2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|B<3>,1|H<1>,3|C<3>}	118.1410	0.000	1	118.1410	0.000	1	118.1410	0.000	1	119.4029	6.666	27	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(CC[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(CC[6a]O){1|H<1>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	119.5985	0.633	2	119.5985	0.401	2	119.5985	0.401	2	119.4029	6.666	27	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CCO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CCO){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	116.7752	0.387	4	116.7752	0.149	4	116.8050	0.117	5	119.4029	6.666	27	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CHO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CHO){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	116.9240	0.000	1	116.9240	0.000	1	116.8050	0.117	5	119.4029	6.666	27	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	118.3280	0.000	1	118.3280	0.000	1	119.1385	1.314	2	119.4029	6.666	27	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]2){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]O){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	119.9490	0.000	1	119.9490	0.000	1	119.1385	1.314	2	119.4029	6.666	27	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|S<2>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	117.5440	0.000	1	117.5440	0.000	1	117.9685	0.360	2	119.4029	6.666	27	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]2){1|H<1>,7|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)2{1|S<2>,2|H<1>,8|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]C){5|C<3>}	118.3930	0.000	1	118.3930	0.000	1	117.9685	0.360	2	119.4029	6.666	27	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]B[6a,6a]C[5a,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]B[6a,6a]C[5a,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|B<3>,1|S<2>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|B<3>,1|H<1>,3|C<3>}	119.0530	0.122	2	119.0530	0.015	2	118.1700	0.486	6	119.4029	6.666	27	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|S<2>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	117.7285	0.161	4	117.7285	0.026	4	118.1700	0.486	6	119.4029	6.666	27	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N[5a]-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5,6a]C[6a])(C[5a]N[5a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[5,6a])(N[5a]N[5a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5,6a]C[6a])(C[5a]N[5a]O){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2){1|N<2>,2|H<1>,2|N<3>,2|O<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[5,6a])(N[5a]N[5a]H){1|O<1>,4|C<3>}	120.4620	0.000	1	120.4620	0.000	1	120.4620	0.000	1	119.4029	6.666	27	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N[5a]-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a])(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,4|C<3>}	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2){1|C<4>,1|N<3>,2|H<1>,2|N<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a])(N[5a]N[5a]C){1|C<4>,3|C<3>}	118.6880	0.000	1	118.6880	0.000	1	118.6880	0.000	1	119.4029	6.666	27	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:2:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]2)2	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){1|C<2>,1|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]2)2{1|C<2>,1|N<2>,2|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C){1|C<2>,4|C<3>}	123.7615	0.332	6	123.7615	0.110	6	123.7615	0.110	6	119.4029	6.666	27	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5,5a]C[5,5a]C[5,5])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5,5a]C[6a])(O[5a]C[5,5a])	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5,5a]C[5,5a]C[5,5])(C[6a]C[6a]2){1|H<1>,8|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5,5a]C[6a])(O[5a]C[5,5a]){1|C<4>,1|H<1>,5|C<3>}	118.4270	0.288	2	118.4270	0.083	2	118.4270	0.083	2	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]O)(CCO)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]C){1|O<1>,1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]O)(CCO){1|O<2>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6]){1|H<1>,6|C<3>}	119.1440	0.000	1	119.1440	0.000	1	119.1525	0.000	2	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]O)(CHO)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]C){1|O<1>,1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]O)(CHO){1|O<2>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6]){1|H<1>,6|C<3>}	119.1610	0.000	1	119.1610	0.000	1	119.1525	0.000	2	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5,6a]C[6a])(S[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]C[6a]){1|H<1>,7|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[5,6a]2)(C[6a]C[6a]2){1|S<2>,2|H<1>,8|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5,6a]C[6a])(S[5a]C[5a,6a]){7|C<3>}	118.9460	0.000	1	118.9460	0.000	1	118.9460	0.000	1	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]2)2(CC[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(N[6a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)2(CC[6a]O){1|N<2>,2|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(N[6a]C[5a,6a]){1|N<3>,4|C<3>}	118.1085	0.094	2	118.1085	0.009	2	118.1085	0.009	2	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]C[6a]){2|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)2(C[6a]C[6a]2){1|N<3>,1|O<2>,2|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a,6a]){1|N<3>,4|C<3>}	119.8950	0.000	1	119.8950	0.000	1	119.8950	0.000	1	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(N[6a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C[6a]){2|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){1|C<4>,2|H<1>,2|N<2>,2|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(N[6a]C[5a,6a]){1|N<3>,4|C<3>}	119.0667	0.250	3	119.0667	0.062	3	119.0667	0.062	3	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[5a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[5a]C[6a]){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]S[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a]){5|C<3>}	116.7830	0.000	1	116.7830	0.000	1	116.7830	0.000	1	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(COO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(COO){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(N[6a]C[6a]){1|H<1>,4|C<3>}	115.5800	0.000	1	115.5800	0.000	1	115.5800	0.000	1	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(N[6a]C[6a]){1|C<4>,4|C<3>}	117.3770	0.000	1	117.1073	0.128	3	117.0258	0.145	5	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(N[6a]C[6a]){5|C<3>}	116.9725	0.383	2	117.1073	0.128	3	117.0258	0.145	5	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2){1|S<4>,2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(N[6a]C[6a]){5|C<3>}	116.5330	0.000	1	116.5330	0.000	1	117.0258	0.145	5	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)2{1|N<2>,1|N<3>,2|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a]){5|C<3>}	117.2740	0.000	1	117.2740	0.000	1	117.0258	0.145	5	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]C[6a]){2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){1|O<2>,3|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(O[5a]C[5a,6a]){5|C<3>}	118.7560	0.000	1	118.7560	0.000	1	118.7560	0.000	1	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){1|N<2>,1|N<3>,3|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a,6a]){5|C<3>}	118.4800	0.000	1	118.4800	0.000	1	118.8010	0.621	3	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(N[6a]C[6a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]C[6a]){2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){1|N<2>,1|N<3>,3|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(N[6a]C[6a,6a]){5|C<3>}	118.9615	1.043	2	118.9615	1.088	2	118.8010	0.621	3	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[5a,6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(N[6a]C[6a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]C[6a]){2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]2){1|H<1>,1|N<2>,1|N<3>,8|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(N[6a]C[6a,6a]){5|C<3>}	118.0825	0.117	2	118.0825	0.014	2	118.0825	0.014	2	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CHN)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]C){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CHN){1|Br<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|Br<1>,4|C<3>}	118.1520	0.000	1	118.1520	0.000	1	119.0798	1.333	13	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CHN)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]C){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CHN){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(O[5a]C[5a]){1|H<1>,4|C<3>}	119.2880	0.000	1	119.2880	0.000	1	119.0798	1.333	13	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(COO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]C){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(COO){2|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|O<2>,4|C<3>}	117.2025	0.243	2	117.2025	0.059	2	119.0798	1.333	13	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCC){1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(O[5a]C[5a]){2|H<1>,3|C<3>}	120.1600	0.000	1	120.1600	0.000	1	119.0798	1.333	13	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCH){1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(O[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	119.5260	0.000	1	119.5260	0.000	1	119.0798	1.333	13	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC[5a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC[5a]O){1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){2|H<1>,3|C<3>}	119.1930	0.000	1	119.1930	0.000	1	119.0798	1.333	13	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(COO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(COO){1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,5|C<3>}	118.4580	0.240	2	118.4580	0.058	2	119.0798	1.333	13	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]C){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCC){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(O[5a]C[5a]){1|H<1>,1|N<3>,3|C<3>}	119.7333	0.067	3	119.7333	0.004	3	119.0798	1.333	13	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]C){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC[6a]C){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(O[5a]C[5a]){1|H<1>,1|N<3>,3|C<3>}	121.1980	0.000	1	121.1980	0.000	1	119.0798	1.333	13	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]O)(CHO)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<4>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]O)(CHO){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	119.2470	0.000	1	119.2470	0.000	1	119.2470	0.000	1	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(CCC)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|Si<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(CCC){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){1|Si<4>,2|H<1>,4|C<3>}	118.5200	0.000	1	118.5200	0.000	1	118.5200	0.000	1	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a,6a]C[6a,6a]2)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){1|S<2>,3|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a,6a]C[6a,6a]2)(S[5a]C[5a]){2|H<1>,5|C<3>}	120.2670	0.000	1	120.2670	0.000	1	120.2670	0.000	1	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|O<2>,3|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,1|N<3>,3|C<3>}	118.0880	0.000	1	118.0880	0.000	1	118.0880	0.000	1	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]S)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|S<2>,7|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]S){1|S<2>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(S[5a]C[5a]){7|C<3>}	119.0180	0.000	1	119.0180	0.000	1	118.7982	0.064	4	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]N)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|S<2>,3|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]N)(S[5a]C[5a]){2|C<3>,2|H<1>}	119.0140	0.000	1	119.0140	0.000	1	118.7982	0.064	4	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|C<4>,1|S<2>,3|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)(S[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	118.5805	0.054	2	118.5805	0.003	2	118.7982	0.064	4	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]S)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|H<1>,1|S<4>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)2{1|N<2>,1|N<3>,2|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]S)(N[6a]C[6a]){1|H<1>,4|C<3>}	114.9690	0.000	1	114.9690	0.000	1	117.7201	0.839	25	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|N<3>,1|S<2>,2|H<1>,2|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|S<2>,3|C<3>}	116.6710	0.000	1	116.6710	0.000	1	117.7201	0.839	25	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|N<2>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a]){1|H<1>,3|C<3>}	117.5440	0.000	1	117.5440	0.000	1	117.7201	0.839	25	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,1|F<1>,1|H<1>,1|N<3>,2|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,5|C<3>}	117.3360	0.000	1	118.0290	0.313	15	117.7201	0.839	25	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,1|N<3>,2|H<1>,2|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,5|C<3>}	117.8823	0.312	3	118.0290	0.313	15	117.7201	0.839	25	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>,2|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,1|N<3>,4|C<3>}	117.2520	0.245	2	118.0290	0.313	15	117.7201	0.839	25	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|Cl<1>,1|C<4>,4|C<3>}	118.3453	0.453	7	118.0290	0.313	15	117.7201	0.839	25	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|N<3>,2|C<3>,2|C<4>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){2|C<4>,4|C<3>}	118.2655	0.579	2	118.0290	0.313	15	117.7201	0.839	25	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]F)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|F<1>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]F){1|C<4>,1|N<3>,2|C<3>,2|N<2>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,2|C<3>}	118.3703	0.077	3	118.3703	0.006	3	117.7201	0.839	25	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|N<2>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	116.6700	1.416	2	116.9503	1.238	3	117.7201	0.839	25	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,2|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,5|C<3>}	117.5110	0.000	1	116.9503	1.238	3	117.7201	0.839	25	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C[6])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]F)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C[6])(C[6a]C[6a]2){1|F<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]F){1|C<4>,1|N<3>,2|C<3>,2|N<2>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,2|C<3>}	117.4210	0.000	1	117.4210	0.000	1	117.7201	0.839	25	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NOO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NOO){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	117.6523	0.285	3	117.6523	0.081	3	117.4094	0.277	7	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]O[5a]N)(C[6a]C[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NOO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]O[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]O[5a]N)(C[6a]C[6a]N){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NOO){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]O[5a]){2|C<3>,2|N<3>}	117.2440	0.993	2	117.2440	0.986	2	117.4094	0.277	7	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]O[5a]N)(C[6a]C[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NOO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]O[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]O[5a]N)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NOO){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]O[5a]){2|C<3>,2|N<3>}	117.2105	0.452	2	117.2105	0.204	2	117.4094	0.277	7	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NOO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NOO){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	114.0330	0.000	1	114.0330	0.000	1	117.3227	4.969	4	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(NC[6]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]S)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<3>,1|S<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(NC[6]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]S)(N[6a]C[6a]){1|C<3>,1|N<3>,3|H<1>}	118.1380	0.049	2	118.1380	0.002	2	117.3227	4.969	4	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(NHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]N){1|C<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(NHH){1|C<4>,1|H<1>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	118.9820	0.000	1	118.9820	0.000	1	117.3227	4.969	4	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:N-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]Br)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(NHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]Br)(C[6a]N[6a]N){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(NHH){1|Br<1>,1|C<3>,1|N<2>,1|N<3>,1|O<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|Br<1>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,2|N<3>}	115.4690	0.000	1	115.4690	0.000	1	115.7160	0.122	2	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:N-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(NHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|O<1>,1|O<2>,2|N<3>,3|H<1>}	115.9630	0.000	1	115.9630	0.000	1	115.7160	0.122	2	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]C[6a])(C[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]C)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]C[6a])(C[5a]C[5a]C){2|C<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2){1|C<4>,1|O<2>,2|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]C)(O[5a]C[5a]){2|C<4>,3|C<3>}	119.8720	0.000	1	119.8720	0.000	1	119.8720	0.000	1	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]C[6a])(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]C)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]C[6a])(C[5a]C[5a]H){1|C<2>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2){1|C<4>,1|S<2>,3|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]C)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	119.9410	0.000	1	119.9410	0.000	1	119.9410	0.000	1	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5,6a]C[6a])(C[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[5,6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5,6a]C[6a])(C[5a]C[5a]C){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2){1|C<4>,1|N<2>,1|N<3>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[5,6a]){1|C<4>,1|H<1>,5|C<3>}	118.8270	0.000	1	118.8270	0.000	1	118.3147	0.982	6	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[5,6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5,6a]C[6a])(C[5a]N[5a]C){5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|H<1>,2|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[5,6a]){1|C<4>,5|C<3>}	117.6417	1.031	3	118.0280	1.306	4	118.3147	0.982	6	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[5,6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5,6a]C[6a])(C[5a]N[5a]C){5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2){1|C<4>,1|N<3>,2|H<1>,2|N<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[5,6a]){1|C<4>,5|C<3>}	119.1870	0.000	1	118.0280	1.306	4	118.3147	0.982	6	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]S[5])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[5,6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5,6a]C[6a])(C[5a]N[5a]C){1|S<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]S[5])(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>,2|N<2>,2|O<1>,3|C<4>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[5,6a]){2|C<4>,4|C<3>}	118.9490	0.000	1	118.9490	0.000	1	118.3147	0.982	6	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:B[5]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]B[5])(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(B[5]O[5]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]B[5])(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]B[5])(C[5a]C[5a]H){1|Si<4>,1|B<3>,1|C<3>,1|S<2>,2|O<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(B[5]O[5]2){1|H<1>,1|S<2>,2|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]B[5])(S[5a]C[5a]){1|Si<4>,1|B<3>,1|H<1>,2|C<3>,2|O<2>}	121.4015	0.675	2	121.4015	0.456	2	121.4015	0.456	2	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C)(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])2(CC[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[5a,6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C)(C[5a]N[5a]C){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])2(CC[6a]O){2|C<4>,2|N<3>,3|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[5a,6a]){1|C<4>,1|N<3>,4|C<3>}	119.3070	0.693	2	119.3070	0.480	2	119.3070	0.480	2	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C[6a])(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|N<3>,1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]2){1|C<2>,1|O<2>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C[6a])(O[5a]C[5a]){1|C<2>,1|N<3>,5|C<3>}	118.8960	0.000	1	118.8960	0.000	1	118.8960	0.000	1	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){1|N<3>,1|S<2>,3|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	119.7215	0.006	2	119.7215	0.000	2	119.7215	0.000	2	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[5a,6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]C){5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){1|C<4>,2|H<1>,2|N<2>,2|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[5a,6a]){1|C<4>,1|N<3>,4|C<3>}	119.1780	0.354	3	119.1780	0.125	3	119.3054	0.062	7	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[5a,6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]C){5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])2(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>,2|N<3>,3|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[5a,6a]){1|C<4>,1|N<3>,4|C<3>}	119.4115	0.149	2	119.4115	0.022	2	119.3054	0.062	7	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])2(C[6a]C[6a]N[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[5a,6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|N<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])2(C[6a]C[6a]N[6a]){1|H<1>,2|C<3>,2|C<4>,2|N<3>,3|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[5a,6a]){1|C<4>,1|N<3>,4|C<3>}	119.3905	0.108	2	119.3905	0.012	2	119.3054	0.062	7	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]N)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(NCC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]N)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]N)(C[5a]C[5a]H){1|C<2>,1|C<3>,1|N<3>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(NCC){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]N)(S[5a]C[5a]){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	120.1850	0.000	1	120.1850	0.000	1	120.1850	0.000	1	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a]C[6a])(C[5a]N[5a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a]C[6a])(C[5a]N[5a]N){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]C){1|C<4>,1|H<1>,2|C<3>,2|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a]){1|C<4>,1|N<3>,2|C<3>}	117.8470	0.000	1	117.8470	0.000	1	117.8470	0.000	1	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]C[5a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(C[5a]C[5a]S[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6,6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]C[5a])(C[5a]N[5a]C){1|C<4>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(C[5a]C[5a]S[5a]){1|C<4>,2|N<2>,2|N<3>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6,6a]){1|C<4>,5|C<3>}	117.4900	0.000	2	117.4900	0.000	2	117.4900	0.000	2	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6,6a]C[6a])(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]N[6,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6,6a]O)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6,6a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]N[6,6a])(C[6a]C[6a]2){1|S<2>,3|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6,6a]O)(S[5a]C[5a]){2|H<1>,3|C<3>}	120.4470	0.000	1	120.4470	0.000	1	120.4470	0.000	1	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]2)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6,6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]C[6a])(C[5a]N[5a]C){5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]2)(C[6a]C[6a]2){1|N<3>,2|C<4>,2|H<1>,2|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6,6a]){2|C<4>,4|C<3>}	118.3650	0.184	7	118.3783	0.030	8	118.0536	0.538	17	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]2)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6,6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]C[6a])(C[5a]N[5a]C){5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]2)(C[6a]C[6a]2){1|N<3>,2|C<4>,2|H<1>,3|C<3>,3|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6,6a]){2|C<4>,4|C<3>}	118.4710	0.000	1	118.3783	0.030	8	118.0536	0.538	17	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6,6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]C[6a])(C[5a]N[5a]C){1|C<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2){1|N<3>,2|C<3>,2|C<4>,3|N<2>,4|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6,6a]){1|C<4>,5|C<3>}	117.2440	0.000	1	117.7650	0.850	9	118.0536	0.538	17	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6,6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]C[6a])(C[5a]N[5a]C){1|C<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2){1|N<3>,2|C<4>,2|N<2>,3|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6,6a]){1|C<4>,5|C<3>}	117.3554	0.904	5	117.7650	0.850	9	118.0536	0.538	17	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6,6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]C[6a])(C[5a]N[5a]C){5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|H<1>,2|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6,6a]){1|C<4>,5|C<3>}	118.6213	0.334	3	117.7650	0.850	9	118.0536	0.538	17	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]O){6|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,1|O<1>,3|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a]){1|H<1>,1|O<1>,5|C<3>}	120.3510	0.037	2	120.3510	0.001	2	120.3510	0.001	2	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]Br)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H){1|Br<1>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|S<2>,4|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]Br)(S[5a]C[5a]){2|H<1>,3|C<3>}	120.0295	0.482	2	120.0295	0.232	2	120.1013	0.131	3	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]C)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|S<2>,4|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]C)(S[5a]C[5a]){2|H<1>,3|C<3>}	120.2450	0.000	1	120.2450	0.000	1	120.1013	0.131	3	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a,6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a]){7|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<3>,2|N<2>,3|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a,6a]){6|C<3>}	118.2720	0.000	1	118.2720	0.000	1	118.1347	0.164	3	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a,6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]C[6a])(C[5a]N[5a]C){5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|N<3>,2|N<2>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a,6a]){1|C<4>,5|C<3>}	118.0660	0.547	2	118.0660	0.300	2	118.1347	0.164	3	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[6]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]N[6])(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6]C[6]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]N[6])(C[5a]C[5a]H){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6]C[6]2){1|S<2>,2|C<3>,2|C<4>,6|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	118.9180	0.000	1	118.9180	0.000	1	118.9180	0.000	1	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]N[5a])(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C){1|O<2>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	118.5470	0.000	1	118.5470	0.000	1	118.5470	0.000	1	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a,6a]O)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2){1|S<2>,3|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a,6a]O)(S[5a]C[5a]){2|H<1>,3|C<3>}	119.8040	0.000	1	119.8040	0.000	1	119.8040	0.000	1	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]C[6a])(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]C[6a])(N[5a]C[5a]C){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2){1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	123.4620	0.000	1	123.4620	0.000	1	123.4620	0.000	1	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[5a])(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])2(C[5a]C[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[5a])(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[5a])(N[5a]N[5a]C){1|N<2>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])2(C[5a]C[5a]S[5a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>,3|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[5a])(N[5a]N[5a]){1|C<4>,1|N<3>,1|S<2>,3|C<3>}	123.9465	0.064	2	123.9465	0.004	2	123.9465	0.004	2	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]N[5a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]C[5a]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]N[5a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	123.1650	0.000	1	123.1650	0.000	1	123.1650	0.000	1	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C){6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2){1|C<4>,1|N<2>,2|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,5|C<3>}	119.4095	0.029	2	119.4095	0.001	2	119.4095	0.001	2	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[6]-3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a,6a]N[6])(N[5a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[6]C[6]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a,6a]N[6])(N[5a]C[5a,6a]H){2|C<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[6]C[6]2){1|N<2>,2|C<4>,4|C<3>,6|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a,6a]){1|N<3>,2|H<1>,4|C<3>}	120.9990	0.000	1	120.9990	0.000	1	120.9990	0.000	1	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(COO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]C){1|C<3>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(COO){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	121.3457	0.916	6	121.3457	0.838	6	121.9950	0.900	12	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHN){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	122.6345	0.508	2	122.6345	0.258	2	121.9950	0.900	12	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|Br<1>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHO){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]C[5a]){2|H<1>,3|C<3>}	122.7925	0.551	2	122.7925	0.303	2	121.9950	0.900	12	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHO){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]){2|H<1>,3|C<3>}	122.5120	0.000	1	122.5120	0.000	1	121.9950	0.900	12	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHO){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	122.5000	0.000	1	122.5000	0.000	1	121.9950	0.900	12	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCO){1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|O<1>,2|C<3>,2|H<1>}	121.0865	0.262	2	121.0865	0.069	2	121.0865	0.069	2	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC[6a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC[6a]O){1|S<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|O<1>,2|C<3>,2|H<1>}	119.5500	0.000	1	119.5500	0.000	1	119.5500	0.000	1	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5,6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5,6a]C)(C[6a]C[6a]2)	C[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[5,6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]C){1|C<2>,1|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5,6a]C)(C[6a]C[6a]2){1|Cl<1>,1|H<1>,2|C<4>,2|N<2>,3|C<3>}	C[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]){2|C<3>,2|H<1>,3|C<4>}	122.8300	0.000	1	122.8300	0.000	1	122.8300	0.000	1	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]H){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,4|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	122.6380	0.347	3	122.6380	0.120	3	122.6380	0.120	3	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){2|N<2>,3|H<1>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]){2|H<1>,4|C<3>}	123.9820	0.000	1	123.9820	0.000	1	123.9820	0.000	1	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(O[5a]C[5a]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	120.4940	0.000	1	120.4940	0.000	1	120.4940	0.000	1	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[5a])(N[5a]C[5a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[5a])(N[5a]C[5a]C[6a]){2|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,7|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,1|N<3>,3|C<3>}	121.3430	0.000	1	121.3430	0.000	1	121.3430	0.000	1	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,7|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,8|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	122.8400	0.486	3	122.8400	0.237	3	122.8400	0.237	3	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)2{1|C<4>,1|N<2>,2|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	119.4760	0.000	1	119.4760	0.000	1	120.1323	0.211	6	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a]){2|H<1>,5|C<3>}	120.4575	0.276	2	120.4575	0.076	2	120.1323	0.211	6	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]2){1|C<4>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,1|S<4>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a]){1|S<4>,2|H<1>,4|C<3>}	120.5990	0.000	1	120.5990	0.000	1	120.1323	0.211	6	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]2){6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)2{1|N<2>,1|N<3>,1|S<4>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a]){1|H<1>,1|N<3>,1|S<4>,4|C<3>}	119.9800	0.000	1	119.9800	0.000	1	120.1323	0.211	6	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[5])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]2){1|N<3>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[5])(C[6a]C[6a]2){1|C<4>,1|N<2>,1|S<4>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a]){1|H<1>,1|S<4>,5|C<3>}	119.8240	0.000	1	119.8240	0.000	1	120.1323	0.211	6	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(NOO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]N){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(NOO){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	115.6890	0.000	1	115.6890	0.000	1	115.6890	0.000	1	119.0982	3.556	177	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(COO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(COO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	117.7835	0.699	2	117.7835	0.489	2	117.7835	0.489	2	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)2	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2){1|B<4>,1|H<1>,7|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)2{1|N<3>,2|H<1>,8|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]H)(C[6a]C[6a]2){1|B<4>,6|C<3>}	119.2740	0.000	1	119.2740	0.000	1	119.2740	0.000	1	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]2)2(CC[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C){1|C<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)2(CC[6a]O){2|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|N<3>,4|C<3>}	119.7140	0.632	2	119.7140	0.400	2	119.8415	0.394	4	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]2)2(COO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)2(COO){2|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|N<3>,4|C<3>}	119.9690	0.847	2	119.9690	0.718	2	119.8415	0.394	4	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a]){1|H<1>,8|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a]){1|H<1>,8|C<3>}	121.9327	0.313	8	121.9327	0.098	8	121.9327	0.098	8	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]S)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[6a]){1|S<4>,2|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)2(C[6a]C[6a]2){1|N<3>,1|O<2>,2|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]S){1|O<2>,4|C<3>}	120.2170	0.000	1	120.2170	0.000	1	120.7865	0.973	4	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]S)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[6a]){1|S<4>,2|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){1|N<3>,1|S<2>,3|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]S){1|S<2>,4|C<3>}	120.3325	0.002	2	120.3325	0.000	2	120.7865	0.973	4	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){1|C<4>,1|N<3>,2|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C){7|C<3>}	122.2640	0.000	1	122.2640	0.000	1	120.7865	0.973	4	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[4,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[4,6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[4,6a]O)(CSiC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[4,6a]C[4,6a]C[4,5])(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[4,6a]N[5a])(C[6a]C[6a]C){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[4,6a]O)(CSiC){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[4,6a]C[4,6a]C[4,5])(N[5a]C[5a,6a]C){1|H<1>,2|C<4>,4|C<3>}	121.4920	0.000	1	121.4920	0.000	1	121.4920	0.000	1	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CC[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CC[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	122.5070	0.000	1	122.5070	0.000	1	118.0251	4.662	7	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(COO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(COO){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	116.8610	0.000	1	116.8610	0.000	1	118.0251	4.662	7	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N)(COO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N)(COO){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|H<1>,6|C<3>}	118.5070	0.000	1	118.5070	0.000	1	118.0251	4.662	7	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CNO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CNO){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	117.8820	0.256	2	117.8820	0.066	2	118.0251	4.662	7	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(COO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(COO){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	116.2685	0.139	2	116.2685	0.019	2	118.0251	4.662	7	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,2|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]H){1|N<3>,6|C<3>}	120.2330	0.000	1	120.2330	0.000	1	120.2330	0.000	1	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6,6a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]S[6])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]2){1|S<2>,2|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6,6a]C)(C[6a]C[6a]2){1|H<1>,3|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]S[6])(N[5a]C[5a,6a]H){1|N<3>,5|C<3>}	119.5123	0.440	3	119.5123	0.193	3	119.5123	0.193	3	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2){1|C<2>,2|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H){1|H<1>,6|C<3>}	118.9475	0.327	2	118.9475	0.107	2	119.4650	0.393	4	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H){1|C<4>,6|C<3>}	119.9825	0.028	2	119.9825	0.001	2	119.4650	0.393	4	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]I)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a]C[6a])(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|I<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]I){1|N<3>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a]C[6a])(N[5a]C[5a,6a]C){7|C<3>}	121.2020	0.742	2	121.2020	0.551	2	121.2020	0.551	2	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|H<1>,7|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){1|H<1>,6|C<3>}	118.8940	0.000	1	118.8940	0.000	1	119.5505	0.721	24	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){1|C<4>,6|C<3>}	119.8333	0.499	4	119.8333	0.249	4	119.5505	0.721	24	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){5|C<3>}	119.6810	0.000	1	119.6810	0.000	1	119.5505	0.721	24	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<4>,4|C<3>}	118.5940	0.112	2	118.8347	0.104	4	119.5505	0.721	24	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|O<2>,4|C<3>}	118.8900	0.000	1	118.8347	0.104	4	119.5505	0.721	24	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	119.2610	0.000	1	118.8347	0.104	4	119.5505	0.721	24	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|N<2>,5|C<3>}	119.7710	0.274	2	119.7710	0.075	2	119.5505	0.721	24	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){7|C<3>}	118.6008	0.471	4	118.6008	0.222	4	119.5505	0.721	24	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]I)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|I<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]I){1|N<3>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){7|C<3>}	120.5470	0.000	1	120.5470	0.000	1	119.5505	0.721	24	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]I)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|I<1>,2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]I){1|N<3>,3|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	120.7770	0.343	3	120.7770	0.118	3	119.5505	0.721	24	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]O){1|N<3>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){5|C<3>}	119.4390	1.117	2	119.4390	1.248	2	119.5505	0.721	24	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){1|N<2>,1|N<3>,2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]N[6a]N){1|N<3>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]N[6a]H){4|C<3>}	119.5950	0.000	1	119.5950	0.000	1	119.5505	0.721	24	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)2{1|N<3>,2|H<1>,8|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]O){5|C<3>}	120.6680	0.000	1	120.6680	0.000	1	119.5505	0.721	24	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]N)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(NHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]S)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]N){1|S<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(NHH){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]S){1|H<1>,1|N<3>,5|C<3>}	120.4395	0.009	2	120.4395	0.000	2	120.4395	0.000	2	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(NOO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(NOO){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	116.8480	0.000	1	116.8480	0.000	1	118.4460	0.749	7	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(NHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N){1|C<2>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(NHH){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|N<3>,4|C<3>}	119.2510	0.000	1	119.2510	0.000	1	118.4460	0.749	7	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(NCH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(NCH){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){1|C<4>,1|N<3>,3|C<3>}	118.6110	0.000	2	118.6110	0.000	2	118.4460	0.749	7	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(NHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(NHH){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){1|C<4>,1|N<3>,3|C<3>}	119.0410	0.000	2	119.0410	0.000	2	118.4460	0.749	7	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(NHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(NHH){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	117.7190	0.000	1	117.7190	0.000	1	118.4460	0.749	7	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|H<1>,8|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|H<1>,8|C<3>}	121.1307	0.389	3	121.1408	0.076	5	121.1408	0.076	5	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|H<1>,8|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|H<1>,8|C<3>}	121.1560	0.023	2	121.1408	0.076	5	121.1408	0.076	5	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){1|N<3>,2|H<1>,8|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a,6a]C){1|H<1>,6|C<3>}	120.0640	0.000	1	120.0640	0.000	1	120.0640	0.000	1	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5,6a]C[5a])(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5,6a]C[5,6a,6a]C[5])(C[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5,6a]C[5a])(C[6a]C[6a,6a]C[6a]){1|C<2>,1|C<4>,1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5,6a]C[5,6a,6a]C[5])(C[5a]C[5a,6a]C){1|C<4>,2|H<1>,5|C<3>}	121.6770	0.000	1	121.6770	0.000	1	121.6770	0.000	1	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2){1|N<3>,2|H<1>,8|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]C){5|C<3>}	120.9310	0.000	1	120.9310	0.000	1	120.9310	0.000	1	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[5a,6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[5a]C[5a,6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCO){7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[5a]C[5a,6a]O){7|C<3>}	121.8930	0.000	1	121.8930	0.000	1	121.4832	0.347	8	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[5a,6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CC[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[5a]C[5a,6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CC[6a]O){7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[5a]C[5a,6a]O){7|C<3>}	121.4247	0.610	7	121.4247	0.372	7	121.4832	0.347	8	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[5a]C[5a,6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|O<1>,7|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){1|H<1>,1|N<3>,9|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[5a]C[5a,6a]O){7|C<3>}	122.0380	0.000	1	122.0380	0.000	1	122.0380	0.000	1	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|H<1>,7|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){2|H<1>,2|N<3>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C){1|N<3>,6|C<3>}	121.1490	0.000	1	121.1490	0.000	1	121.1490	0.000	1	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|H<1>,7|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){1|N<3>,2|H<1>,8|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C){1|H<1>,6|C<3>}	120.9430	0.000	1	120.9430	0.000	1	120.9430	0.000	1	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	118.0515	0.266	4	118.0515	0.071	4	118.7912	1.561	13	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	117.0855	0.081	2	117.0855	0.007	2	118.7912	1.561	13	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O){1|H<1>,1|N<3>,1|O<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	120.1192	0.671	4	120.1192	0.451	4	118.7912	1.561	13	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	118.1170	0.000	1	118.1170	0.000	1	118.7912	1.561	13	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O){1|H<1>,1|N<3>,1|O<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	119.6575	0.378	2	119.6575	0.143	2	118.7912	1.561	13	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a]){1|H<1>,8|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){2|H<1>,9|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[6a]){1|H<1>,1|N<3>,7|C<3>}	121.9400	0.000	2	121.9400	0.000	2	121.9400	0.000	2	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]O[6a]H)(COO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]O[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<3>,1|O<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]O[6a]H)(COO){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]O[6a]H){2|C<3>,2|H<1>}	116.6430	0.000	1	116.6430	0.000	1	116.6430	0.000	1	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(CNO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(CNO){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|H<1>,4|C<3>}	121.8140	0.000	1	121.8140	0.000	1	118.5740	2.585	12	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCC){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	119.3490	0.000	1	119.3490	0.000	1	118.5740	2.585	12	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,1|S<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<4>,2|C<3>,2|H<1>}	118.3800	0.000	1	118.3800	0.000	1	118.5740	2.585	12	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC[6a]O){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|H<1>,3|C<3>}	118.3510	0.000	1	118.3510	0.000	1	118.5740	2.585	12	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CHO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,1|S<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CHO){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){2|H<1>,3|C<3>}	117.1450	0.000	1	117.1450	0.000	1	118.5740	2.585	12	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(COO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(COO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	116.3170	0.000	1	116.9263	0.522	3	118.5740	2.585	12	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(COO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(COO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>,3|C<3>}	117.2310	0.697	2	116.9263	0.522	3	118.5740	2.585	12	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCH){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|H<1>,3|C<3>}	119.8490	0.000	1	119.8490	0.000	1	118.5740	2.585	12	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC[6a]O){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C){2|H<1>,3|C<3>}	120.5960	0.000	1	120.5960	0.000	1	118.5740	2.585	12	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC[6a]O){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|H<1>,4|C<3>}	118.3125	0.415	2	118.3125	0.172	2	118.5740	2.585	12	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]O)(COO)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]O)(COO){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H){3|H<1>,4|C<3>}	118.9190	0.000	1	118.9190	0.000	1	118.9190	0.000	1	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]H)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)2	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]H)(C[6a]C[6a]2){1|B<4>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)2{1|N<3>,3|H<1>,7|C<3>}	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2){1|B<4>,1|H<1>,7|C<3>}	123.1370	0.000	1	123.1370	0.000	1	123.1370	0.000	1	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a,6a]O)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a,6a]O)(C[6a]C[6a]2){7|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]C)(C[6a]C[6a]2){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){1|H<1>,2|O<1>,6|C<3>}	122.9700	0.000	1	122.6354	0.296	8	122.6311	0.259	9	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a,6a]O)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a,6a]O)(C[6a]C[6a]2){7|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]C)(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){1|H<1>,2|O<1>,6|C<3>}	122.5876	0.569	7	122.6354	0.296	8	122.6311	0.259	9	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a,6a]O)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a,6a]O)(C[6a]C[6a]2){7|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){1|H<1>,2|O<1>,6|C<3>}	122.5970	0.000	1	122.5970	0.000	1	122.6311	0.259	9	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2){1|Co<6>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2){1|Co<6>,1|H<1>,1|N<2>,4|C<3>}	122.1213	1.430	4	122.0744	0.938	8	120.9065	3.230	14	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2){1|Co<6>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|N<3>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2){1|Co<6>,1|H<1>,1|N<3>,4|C<3>}	121.7140	0.113	2	122.0744	0.938	8	120.9065	3.230	14	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2){1|Co<6>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2){1|Co<6>,1|H<1>,1|N<2>,4|C<3>}	122.3410	0.023	2	122.0744	0.938	8	120.9065	3.230	14	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]C)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]C)(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)2{1|S<2>,2|H<1>,8|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]H)(C[6a]C[6a]2){6|C<3>}	119.1670	0.000	1	119.1670	0.000	1	120.9065	3.230	14	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]H)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]Si)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]H)(C[6a]C[6a]2){1|Si<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|S<2>,3|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]Si)(C[6a]C[6a]H){2|C<3>,2|H<1>}	120.3045	0.091	2	120.3045	0.008	2	120.9065	3.230	14	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]H)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]H)(C[6a]C[6a]2){6|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)2{1|S<2>,3|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]C)(C[6a]C[6a]2){1|H<1>,5|C<3>}	120.9460	0.000	1	120.9460	0.000	1	120.9065	3.230	14	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]Si)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]Si)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]Si)(C[6a]C[6a]2){1|Si<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|Si<4>,1|S<2>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]Si)(C[6a]C[6a]H){1|Si<4>,1|H<1>,2|C<3>}	117.6870	0.154	2	117.6870	0.024	2	120.9065	3.230	14	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O[6a])(C[5a]C[5a]H){2|H<1>,4|C<3>}	119.1760	0.000	1	119.1760	0.000	1	119.1760	0.000	1	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	119.9240	0.000	1	118.8535	2.292	2	119.7819	0.834	8	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	117.7830	0.000	1	118.8535	2.292	2	119.7819	0.834	8	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,4|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	119.4530	0.000	1	119.4530	0.000	1	119.7819	0.834	8	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]C)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]N[6a]O){1|N<3>,3|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]C)(N[5a]C[5a]H){2|H<1>,3|C<3>}	119.9295	0.202	2	119.9295	0.041	2	119.7819	0.834	8	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[5])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[5])(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|N<3>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	119.9430	0.000	1	119.9430	0.000	1	119.7819	0.834	8	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)2{1|N<2>,1|N<3>,3|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]C){1|H<1>,5|C<3>}	120.8830	0.000	1	120.8830	0.000	1	119.7819	0.834	8	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,2|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|O<1>,4|C<3>}	120.4100	0.000	1	120.4100	0.000	1	119.7819	0.834	8	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]2){1|B<4>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)2{1|N<3>,3|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2){1|H<1>,1|N<3>,2|F<1>,6|C<3>}	122.1400	0.000	1	122.1400	0.000	1	122.1400	0.000	1	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<2>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>}	119.1290	0.000	1	119.1290	0.000	1	119.1290	0.000	1	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a,6a]H)(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]N[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a,6a]H)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[5a,6a](C[6a,6a]N[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){3|H<1>,4|C<3>}	119.7530	0.000	1	119.7530	0.000	1	119.7530	0.000	1	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a,6]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6])(C[5a]C[5a,6]H)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6])(C[5a]C[5a,6]H)(C[6a]C[6a]2){1|B<4>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6]){1|N<3>,2|F<1>,2|H<1>,5|C<3>}	122.9130	0.000	1	122.9130	0.000	1	122.9130	0.000	1	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){7|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a]){2|H<1>,7|C<3>}	121.3860	0.758	2	121.3860	0.575	2	121.3860	0.575	2	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,5]C[5a])(C[6a]C[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NOO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,5]C[5a])(C[6a]C[6a]N){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NOO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	114.0400	0.000	1	114.0400	0.000	1	116.2498	6.616	6	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NOO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]N){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NOO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	113.9875	0.325	2	113.9875	0.105	2	116.2498	6.616	6	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NHS)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(N[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]N){1|Br<1>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NHS){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(N[5a]N[5a]H){1|C<3>,1|N<3>,2|H<1>}	119.2450	0.000	1	119.2450	0.000	1	116.2498	6.616	6	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NHS)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]N){1|C<3>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NHS){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]N[5a]H){1|C<3>,1|N<3>,2|H<1>}	119.0920	0.000	1	119.0920	0.000	1	116.2498	6.616	6	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NOO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]N){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|H<1>,2|N<3>}	117.1470	0.000	1	117.1470	0.000	1	116.2498	6.616	6	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NCH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]N){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	117.3810	0.000	1	117.3810	0.000	1	116.9566	0.222	5	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NOO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]N){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,3|N<3>}	117.0130	0.000	1	116.6270	0.298	2	116.9566	0.222	5	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NOO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]N){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|N<2>,2|N<3>}	116.2410	0.000	1	116.6270	0.298	2	116.9566	0.222	5	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NOO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NOO){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	117.0740	0.407	2	117.0740	0.166	2	116.9566	0.222	5	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(NHH)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]N){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(NHH){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]S){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	120.2650	0.085	2	120.2650	0.007	2	120.2650	0.007	2	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a]C)(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a]){1|C<4>,1|H<1>,7|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a]C)(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a]){1|N<3>,2|H<1>,6|C<3>}	121.0450	0.000	1	121.0450	0.000	1	121.0450	0.000	1	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6]C[6a])(C[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6]C[6a])(C[5a]C[5a]C){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){2|H<1>,3|C<3>}	119.7000	0.000	1	119.7000	0.000	1	119.7000	0.000	1	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[5a,6a]Re)(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|Re<6>,1|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]2){1|N<2>,4|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[5a,6a]Re)(C[5a]N[5a]C){1|H<1>,3|C<3>}	121.8560	0.000	1	121.8560	0.000	1	122.8722	0.312	11	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]O){1|C<4>,1|O<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]O){1|C<4>,1|O<1>,5|C<3>}	122.8744	0.426	8	122.8744	0.181	8	122.8722	0.312	11	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]O){1|O<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])2(C[6a]C[6a]2){2|H<1>,2|N<3>,2|O<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]O){1|O<1>,6|C<3>}	123.3715	0.568	2	123.3715	0.322	2	122.8722	0.312	11	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|S<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|H<1>,3|C<3>}	118.7910	0.000	1	118.7910	0.000	1	118.0487	0.746	3	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]N[5a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]N[5a]2)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|N<2>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	117.6775	0.815	2	117.6775	0.665	2	118.0487	0.746	3	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a]N[6a])(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]O[5a])(N[6a]N[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a]N[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a]N[6a])(C[5a]C[5a]H){1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]O[5a])(N[6a]N[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a]N[6a])(C[5a]C[5a]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	118.1980	0.778	2	118.1980	0.605	2	118.1980	0.605	2	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]C[5a])(N[5a]C[5a]Ni)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]O){1|Ni<4>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<3>,1|O<2>,3|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]C[5a])(N[5a]C[5a]Ni){1|N<3>,1|O<2>,5|C<3>}	119.0180	0.000	2	119.0180	0.000	2	119.0180	0.000	2	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:B[5]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]B[5])(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(B[5]O[5]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]B[5])(C[5a]C[5a]H){1|C<3>,2|O<2>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(B[5]O[5]2){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|B<3>,1|C<3>,3|H<1>}	119.3690	0.064	2	119.3690	0.004	2	119.3690	0.004	2	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[6]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	120.3650	0.000	1	120.3650	0.000	1	120.3650	0.000	1	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[6]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6])(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6]C[6]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6])(C[5a]C[5a]H){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6]C[6]2){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,3|H<1>}	119.8963	0.611	4	119.6709	0.278	8	119.6709	0.278	8	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[6]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6])(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6]C[6]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6])(C[5a]C[5a]H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6]C[6]2){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,3|H<1>}	119.4455	0.373	4	119.6709	0.278	8	119.6709	0.278	8	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[5a])(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C){1|N<2>,1|N<3>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|N<3>,2|C<3>,2|H<1>}	119.3800	0.000	1	119.6085	0.104	2	119.6085	0.104	2	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[5a])(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C){1|N<3>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|N<3>,2|C<3>,2|H<1>}	119.8370	0.000	1	119.6085	0.104	2	119.6085	0.104	2	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[5])(N[5a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[5])(N[5a]C[5a,6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	121.6455	0.265	6	121.6455	0.070	6	122.1192	0.598	10	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[5])(N[5a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]Se[5]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[5])(N[5a]C[5a,6a]H){1|Se<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]Se[5]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	122.8297	0.745	4	122.8297	0.554	4	122.1192	0.598	10	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])2(COO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])2(COO){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C){2|H<1>,5|C<3>}	123.2380	0.781	2	123.2380	0.609	2	123.2380	0.609	2	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C){7|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){1|C<4>,1|N<3>,2|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	121.8340	0.000	1	121.8340	0.000	1	123.1453	0.877	4	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H){1|C<4>,1|N<2>,1|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[5a,6a]C){2|H<1>,5|C<3>}	123.1480	0.000	1	123.1480	0.000	1	123.1453	0.877	4	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])2(C[6a]C[6a]2){4|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){2|H<1>,5|C<3>}	123.7995	0.233	2	123.7995	0.054	2	123.1453	0.877	4	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C[6a])(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[5a,6a]C)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C[6a])(N[5a]C[5a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[5a,6a]C)(C[5a]C[5a]H){2|H<1>,3|C<3>}	123.1620	0.000	1	123.1620	0.000	1	123.1620	0.000	1	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a]C[6a])(N[5a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a]C[6a])(N[5a]C[5a,6a]C){7|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|I<1>,1|N<3>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|I<1>,6|C<3>}	121.4575	0.520	2	121.4575	0.270	2	121.2989	0.565	11	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a]C[6a])(N[5a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a]C[6a])(N[5a]C[5a,6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]O){1|N<3>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	122.8250	0.000	1	122.8250	0.000	1	121.2989	0.565	11	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a]C[6a])(N[5a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a]C[6a])(N[5a]C[5a,6a]H){1|S<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	121.5378	0.337	4	121.5378	0.113	4	121.2989	0.565	11	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a]C[6a])(N[5a]C[5a,6a]Pd)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a]C[6a])(N[5a]C[5a,6a]Pd){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|Pd<4>,1|C<4>,1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Pd<4>,1|C<4>,1|H<1>,4|C<3>}	120.5992	0.398	4	120.5992	0.158	4	121.2989	0.565	11	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[5a])(N[5a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[5a])(N[5a]C[5a,6a]C){1|C<4>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[5a]){1|C<4>,1|N<3>,2|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]C){1|C<4>,1|O<2>,5|C<3>}	124.2700	0.000	1	124.2700	0.000	1	124.2700	0.000	1	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]C[5a])(N[5a]C[5a]Ni)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]C[5a])(N[5a]C[5a]Ni){1|N<3>,1|O<2>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a]){1|Ni<4>,2|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]O){1|Ni<4>,6|C<3>}	125.2060	0.074	4	125.2060	0.005	4	125.2060	0.005	4	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]H){1|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]2){1|H<1>,6|C<3>}	126.1650	0.000	1	126.1650	0.000	1	126.1650	0.000	1	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC[6a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC[6a]O){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	120.6880	0.000	1	120.6880	0.000	1	122.4271	1.948	12	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHO){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.4150	0.000	1	120.4150	0.000	1	122.4271	1.948	12	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC[6a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC[6a]O){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,3|H<1>}	122.5280	0.000	1	122.5280	0.000	1	122.4271	1.948	12	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHN){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,3|H<1>}	122.2557	0.611	3	122.2557	0.374	3	122.4271	1.948	12	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(COO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<3>,1|S<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(COO){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){2|C<3>,3|H<1>}	121.9010	0.000	1	121.9010	0.000	1	122.4271	1.948	12	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CHN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|O<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O){2|H<1>,3|C<3>}	124.3240	0.000	1	124.3240	0.000	1	122.4271	1.948	12	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CHN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|O<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]O){1|C<4>,2|H<1>,4|C<3>}	124.5090	0.167	2	124.5090	0.028	2	122.4271	1.948	12	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(COO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]N[5a]H){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(COO){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	121.7420	0.057	2	121.7420	0.003	2	122.4271	1.948	12	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(COO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]C){1|C<3>,1|O<1>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(COO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	119.4550	0.000	1	119.4550	0.000	1	119.4550	0.000	1	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(C[6a]C[6a]2){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	122.7560	0.000	1	122.7560	0.000	1	122.7560	0.000	1	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){2|H<1>,3|C<3>}	122.8280	0.000	1	122.8280	0.000	1	122.2968	0.935	29	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]C){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|F<1>,1|H<1>,3|C<3>}	122.8590	0.000	1	122.6558	0.215	13	122.2968	0.935	29	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]C){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.5149	0.226	11	122.6558	0.215	13	122.2968	0.935	29	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]C){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	124.0020	0.000	1	122.6558	0.215	13	122.2968	0.935	29	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]C){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|C<4>,3|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	123.0670	0.000	1	123.0670	0.000	1	122.2968	0.935	29	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]B[5])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]C){1|B<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]B[5])(C[6a]C[6a]2){1|C<4>,2|O<2>,3|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	122.3660	0.000	1	122.3660	0.000	1	122.2968	0.935	29	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a]N[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[5a]N[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H){1|N<2>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a]N[6a])(C[6a]C[6a]2){1|S<2>,3|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[5a]N[6a]){1|H<1>,1|S<2>,6|C<3>}	123.9510	0.000	1	123.9510	0.000	1	122.2968	0.935	29	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){4|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	122.6060	0.000	1	122.5487	0.037	3	122.2968	0.935	29	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,3|H<1>}	122.5200	0.264	2	122.5487	0.037	3	122.2968	0.935	29	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H){1|N<2>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,7|C<3>}	122.4150	0.000	1	122.4150	0.000	1	122.2968	0.935	29	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[5])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[5])(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	122.8320	0.000	1	122.8320	0.000	1	122.2968	0.935	29	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	122.8120	0.000	1	122.8120	0.000	1	122.2968	0.935	29	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]P)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]P){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|P<4>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,1|P<4>,3|C<3>}	120.1080	0.000	1	120.4492	0.067	5	122.2968	0.935	29	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]P)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]P){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|P<4>,3|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	120.5345	0.203	4	120.4492	0.067	5	122.2968	0.935	29	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]C){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)2{1|C<4>,1|N<2>,2|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,5|C<3>}	121.9180	0.000	1	121.9180	0.000	1	122.2968	0.935	29	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|O<1>,2|C<3>,2|C<4>}	121.4400	0.000	1	121.4400	0.000	1	121.4725	0.002	2	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	121.5050	0.000	1	121.5050	0.000	1	121.4725	0.002	2	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHS)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]C){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHS){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	119.9915	0.046	2	119.9915	0.002	2	121.7463	1.672	41	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	122.1522	0.560	6	122.1522	0.314	6	121.7463	1.672	41	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|H<1>}	122.1636	1.480	9	122.3724	1.703	17	121.7463	1.672	41	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	122.6074	1.128	8	122.3724	1.703	17	121.7463	1.672	41	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[4a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[4a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|H<1>}	121.9100	0.619	8	121.9100	0.383	8	121.7463	1.672	41	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHS)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHS){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	121.7400	0.489	2	121.7400	0.239	2	121.7463	1.672	41	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	119.7630	0.000	1	119.7630	0.000	1	121.7463	1.672	41	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<3>}	119.5260	0.000	1	119.5260	0.000	1	121.7463	1.672	41	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHS)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]N[5a]C){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHS){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	120.6115	0.145	2	120.6115	0.021	2	121.7463	1.672	41	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]N[5a]H){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>}	119.5500	0.059	2	119.5500	0.004	2	121.7463	1.672	41	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[5])(N[5a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[5]C[5]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[5])(N[5a]C[5a,6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[5]C[5]2){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	119.7177	0.491	3	119.7177	0.241	3	119.7177	0.241	3	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[5a])(N[5a]C[5a,6a]Ni)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[5a])(N[5a]C[5a,6a]Ni){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|Ni<4>,1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Ni<4>,1|C<4>,1|H<1>,1|N<3>,3|C<3>}	120.1650	0.000	1	120.1650	0.000	1	120.1650	0.000	1	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:P-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]P)(N[5a]C[5a]P)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(PC[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]P)(N[5a]C[5a]P){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(PC[6a]2){1|H<1>,1|P<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|P<3>}	122.9895	0.559	2	122.9895	0.313	2	122.9895	0.313	2	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:P[5]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]P[5])(N[5a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(P[5]O[5]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]P[5])(N[5a]C[5a,6a]H){2|H<1>,2|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(P[5]O[5]2){1|H<1>,3|C<3>,3|C<4>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|P<3>,2|H<1>,3|C<3>}	122.0575	0.066	2	122.0575	0.004	2	122.0575	0.004	2	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[5a])(N[5a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[5a])(N[5a]C[5a,6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	120.0580	0.130	3	120.0580	0.017	3	120.0580	0.017	3	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(CNO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]C)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(CNO){1|H<1>,1|O<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	122.6125	0.293	2	122.6125	0.086	2	122.6125	0.086	2	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]2)2	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2){1|H<1>,1|N<3>,2|F<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]2)2{1|B<4>,2|H<1>,8|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]2){1|B<4>,6|C<3>}	119.7840	0.000	1	119.7840	0.000	1	119.7840	0.000	1	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2){1|H<1>,1|N<3>,2|F<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|B<4>,2|H<1>,8|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H){1|B<4>,1|H<1>,5|C<3>}	120.6340	0.000	1	120.6340	0.000	1	120.6340	0.000	1	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Fe)(C[6a]C[6a]C[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]N[5]O[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Fe)(C[6a]C[6a]C[5]){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]N[5]O[5])(C[6a]C[6a]H){1|Fe<5>,2|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Fe<5>,1|H<1>,5|C<3>}	119.3817	0.460	4	119.3817	0.212	4	119.3817	0.212	4	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:B-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]B)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(BC[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]B){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(BC[6a]O){1|C<4>,1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|B<3>,1|C<4>,2|H<1>,3|C<3>}	122.0140	0.000	1	122.0140	0.000	1	122.0140	0.000	1	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCH){2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	120.1650	0.000	1	120.1650	0.000	1	121.7021	1.162	15	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCO){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	120.6140	0.000	1	120.6140	0.000	1	121.7021	1.162	15	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC[6a]O){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	120.0690	0.000	1	120.0690	0.000	1	121.7021	1.162	15	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CCO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){1|C<4>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CCO){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<4>,2|H<1>,4|C<3>}	122.7780	0.000	1	122.7780	0.000	1	121.7021	1.162	15	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(COO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){1|C<4>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(COO){1|C<2>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|C<2>,2|H<1>,4|C<3>}	123.3650	0.000	1	123.3650	0.000	1	121.7021	1.162	15	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCO){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	121.2520	1.588	2	121.2520	2.522	2	121.7021	1.162	15	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHN)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHN){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	121.8235	0.275	2	121.8235	0.076	2	121.7021	1.162	15	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(COO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(COO){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	120.9670	0.000	1	120.9670	0.000	1	121.7021	1.162	15	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)(COO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)(COO){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]O){2|H<1>,5|C<3>}	121.8220	0.000	1	121.8220	0.000	1	121.7021	1.162	15	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Pt)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHN)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Pt)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHN){1|Pt<4>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Pt<4>,1|C<4>,1|H<1>,4|C<3>}	122.4002	0.446	4	122.4002	0.199	4	121.7021	1.162	15	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Al)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Al)(C[6a]C[6a]C){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHN){1|Al<5>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Al<5>,2|C<3>,2|H<1>}	121.0075	0.405	2	121.0075	0.164	2	121.2426	0.093	7	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Ir)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CHN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Ir)(C[6a]C[6a]C){1|C<3>,2|C<4>,2|O<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CHN){1|Ir<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O){1|Ir<4>,1|C<4>,1|H<1>,2|C<3>}	121.5065	0.309	2	121.5065	0.095	2	121.2426	0.093	7	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Pd)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Pd)(C[6a]C[6a]C){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHN){1|Pd<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Pd<4>,2|C<3>,2|H<1>}	121.2390	0.000	1	121.2390	0.000	1	121.2426	0.093	7	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Rh)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CHN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Rh)(C[6a]C[6a]C){1|C<3>,2|C<4>,2|O<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CHN){1|Rh<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O){1|Rh<4>,1|C<4>,1|H<1>,2|C<3>}	121.2155	0.220	2	121.2155	0.048	2	121.2426	0.093	7	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]2){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){4|H<1>,5|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	123.1235	0.667	2	123.1235	0.445	2	123.1235	0.445	2	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){1|N<3>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a]N[5a]){1|H<1>,2|C<4>,6|C<3>}	123.9370	0.000	1	123.9370	0.000	1	123.4228	0.259	6	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(C[6a]C[6a]2){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	123.1435	0.343	4	123.1435	0.118	4	123.4228	0.259	6	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(C[6a]C[6a]2){1|Cl<1>,1|H<1>,1|N<3>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a]N[5a]){1|Cl<1>,2|H<1>,6|C<3>}	124.0260	0.000	1	124.0260	0.000	1	123.4228	0.259	6	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|H<1>,7|C<3>}	122.4720	0.000	1	122.4720	0.000	1	122.1239	2.083	40	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	120.2895	0.262	2	120.2895	0.069	2	122.1239	2.083	40	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]I)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){1|H<1>,1|I<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]I){1|C<4>,3|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	121.4210	0.000	1	121.4210	0.000	1	122.1239	2.083	40	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	119.7308	1.862	4	119.7308	3.468	4	122.1239	2.083	40	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){7|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)2{1|C<4>,1|I<1>,2|O<2>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|I<1>,6|C<3>}	121.8940	0.000	1	121.8940	0.000	1	122.1239	2.083	40	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){1|O<2>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)2{1|C<4>,2|H<1>,8|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|C<4>,1|H<1>,5|C<3>}	121.9630	0.000	1	121.9630	0.000	1	122.1239	2.083	40	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C[5])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){1|C<4>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,4|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	122.5940	0.443	4	122.5940	0.196	4	122.1239	2.083	40	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	121.9788	0.435	5	121.9927	0.152	6	122.1239	2.083	40	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,2|N<2>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	122.0620	0.000	1	121.9927	0.152	6	122.1239	2.083	40	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]N)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,2|N<2>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]N){3|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	122.3160	0.000	1	122.3160	0.000	1	122.1239	2.083	40	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Ga)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Ga)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|Ga<3>,3|C<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Ga<3>,1|C<4>,1|H<1>,4|C<3>}	121.6640	0.007	2	121.6640	0.000	2	122.1239	2.083	40	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	121.5150	0.000	1	121.5150	0.000	1	122.1239	2.083	40	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,2|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|N<3>,2|H<1>,4|C<3>}	123.0140	0.000	1	123.0140	0.000	1	122.1239	2.083	40	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	121.3650	0.216	2	121.7307	0.425	3	122.1239	2.083	40	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){4|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	122.4620	0.000	1	121.7307	0.425	3	122.1239	2.083	40	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){7|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)2{4|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	124.2870	0.228	4	124.2870	0.052	4	122.1239	2.083	40	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|O<2>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)2{1|C<2>,3|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|C<2>,1|H<1>,5|C<3>}	123.0010	0.000	1	123.7296	0.344	5	122.1239	2.083	40	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|O<2>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)2{1|C<2>,3|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|C<2>,2|H<1>,4|C<3>}	123.9117	0.488	4	123.7296	0.344	5	122.1239	2.083	40	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	121.4180	0.669	2	121.4180	0.447	2	122.1239	2.083	40	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,2|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	121.3770	0.000	1	121.3770	0.000	1	122.1239	2.083	40	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|C<4>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a]){3|H<1>,6|C<3>}	124.3370	0.000	1	124.3370	0.000	1	124.3370	0.000	1	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|H<1>,1|O<1>,3|C<3>}	120.7710	0.000	1	120.7710	0.000	1	120.7710	0.000	1	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(NOO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]N){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(NOO){1|C<4>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	118.0210	0.000	1	118.0210	0.000	1	120.9861	1.903	15	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){1|Cl<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,2|H<1>,3|C<3>}	121.8907	0.645	4	121.6039	0.306	12	120.9861	1.903	15	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	121.4605	0.482	8	121.6039	0.306	12	120.9861	1.903	15	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	118.7620	0.040	2	118.7620	0.002	2	120.9861	1.903	15	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Ni)(C[6a]C[6a]N[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[5]C[5]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Ni)(C[6a]C[6a]N[5]){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[5]C[5]2){1|Ni<4>,1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Ni<4>,1|C<4>,1|H<1>,1|N<3>,3|C<3>}	119.3530	0.000	1	119.3530	0.000	1	119.3530	0.000	1	121.0075	3.782	431	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:2:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3){2|N<3>,3|N<2>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	120.2670	0.000	1	120.2670	0.000	1	120.2670	0.000	1	118.4243	0.892	9	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:2:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-2:O[6a]-2:	C[5a,6a](C[5a,6a]N[5a]O[6a])(C[5a]N[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a])(O[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]O[6a])(C[5a]N[5a]C)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a])(O[6a]C[6a]){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	119.0080	0.047	2	119.0080	0.002	2	119.0080	0.002	2	118.4243	0.892	9	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:2:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]C){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|S<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a]){1|C<2>,1|C<3>,1|N<3>,2|C<4>}	117.0760	0.000	1	117.0760	0.000	1	117.9227	0.310	6	118.4243	0.892	9	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:2:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]N[5a])	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]C){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|S<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]N[5a]){1|C<3>,1|O<1>,3|C<4>}	118.0920	0.415	5	118.0920	0.172	5	117.9227	0.310	6	118.4243	0.892	9	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:2:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(CCHH)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]O)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(CCHH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]O){1|C<3>,1|H<1>,3|C<4>}	118.6350	0.000	1	118.6350	0.000	1	118.6350	0.000	1	121.9570	8.287	3	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:2:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]C)(CH3)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]C)(CH3){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	123.6180	0.144	2	123.6180	0.021	2	123.6180	0.021	2	121.9570	8.287	3	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:2:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[5a,6a]C)(CCHH)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a,5a])	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C){1|C<4>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[5a,6a]C)(CCHH){2|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a,5a]){1|C<4>,1|S<2>,4|C<3>}	120.5980	0.170	2	120.5980	0.029	2	120.5980	0.029	2	119.3768	1.679	86	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]2)2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]C){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)2(CCHH){1|N<3>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a,6a]){1|C<4>,1|N<3>,3|C<3>}	120.0480	0.004	2	120.0480	0.000	2	120.0480	0.000	2	119.3768	1.679	86	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]B[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C)(S[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]B[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C){1|C<4>,1|N<3>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(CH3){1|B<3>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C)(S[5a]C[5a,6a]){1|B<3>,1|C<4>,3|C<3>}	117.5200	0.000	1	117.5200	0.000	1	117.9042	0.056	5	119.3768	1.679	86	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C)(S[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C){1|C<4>,1|F<1>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(CCHH){1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C)(S[5a]C[5a,6a]){1|C<4>,4|C<3>}	117.9433	0.009	3	118.0003	0.013	4	117.9042	0.056	5	119.3768	1.679	86	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C)(S[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(CCHH){1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C)(S[5a]C[5a,6a]){1|C<4>,4|C<3>}	118.1710	0.000	1	118.0003	0.013	4	117.9042	0.056	5	119.3768	1.679	86	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a,6a]C)(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a,6a]C)(CCHH){1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a,6a]){1|C<4>,5|C<3>}	119.3683	0.038	3	119.3683	0.001	3	119.2325	0.075	4	119.3768	1.679	86	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a,6a]H)(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a,6a]H)(CCHH){1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a,6a]){1|C<4>,5|C<3>}	118.8250	0.000	1	118.8250	0.000	1	119.2325	0.075	4	119.3768	1.679	86	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3){1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a]){1|C<4>,4|C<3>}	118.0340	0.000	1	118.0340	0.000	1	118.0340	0.000	1	119.3768	1.679	86	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5,6a]O)(CH3)	C[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[5,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5,6a]O)(CH3){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	121.2810	0.000	1	121.2810	0.000	1	121.1740	0.010	3	119.3768	1.679	86	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5,6a]S)(CH3)	C[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[5,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|H<1>,1|S<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5,6a]S)(CH3){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	121.1205	0.049	2	121.1205	0.002	2	121.1740	0.010	3	119.3768	1.679	86	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a,6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]C){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]H)(CH3){1|S<2>,2|C<3>,2|O<2>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a]){1|O<2>,2|C<3>,2|C<4>,2|S<2>}	120.6180	0.000	1	120.6180	0.000	1	120.6180	0.000	1	119.3768	1.679	86	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]C)(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]C)(CCHH){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	120.5040	0.035	3	120.5040	0.001	3	120.6417	0.083	10	119.3768	1.679	86	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]H)(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]H)(CCHH){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	120.6318	0.303	6	120.6318	0.092	6	120.6417	0.083	10	119.3768	1.679	86	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[5a,6a]C)(CCHH)	C[5a,6a](C[5a,6a]N[5a,6a]C[5a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[5a,6a]C)(CCHH){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[5a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	121.1140	0.000	1	121.1140	0.000	1	120.6417	0.083	10	119.3768	1.679	86	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){2|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|O<2>,2|C<3>,2|C<4>}	117.1990	0.000	1	117.1990	0.000	1	118.8482	0.384	34	119.3768	1.679	86	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|O<2>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|H<1>,3|C<4>}	118.2540	0.000	1	118.2540	0.000	1	118.8482	0.384	34	119.3768	1.679	86	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>,2|O<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(O[5a]C[5a]){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	118.6320	0.000	1	119.0373	0.133	3	118.8482	0.384	34	119.3768	1.679	86	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>,2|O<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(O[5a]C[5a]){1|O<2>,2|C<3>,2|C<4>}	119.2400	0.137	2	119.0373	0.133	3	118.8482	0.384	34	119.3768	1.679	86	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(CC[6a]2H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<3>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(CC[6a]2H){1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	120.0237	0.091	3	120.0237	0.008	3	118.8482	0.384	34	119.3768	1.679	86	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]C){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(CH3){1|C<4>,1|O<2>,1|S<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|S<3>,3|C<4>}	119.3210	0.110	5	119.3210	0.012	5	118.8482	0.384	34	119.3768	1.679	86	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]C){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(CH3){1|C<4>,1|O<2>,1|S<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|S<3>,3|C<4>}	118.8458	0.231	4	118.8458	0.054	4	118.8482	0.384	34	119.3768	1.679	86	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]C){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(CH3){1|C<4>,1|O<2>,1|S<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|S<3>,3|C<4>}	119.2813	0.323	3	119.2813	0.104	3	118.8482	0.384	34	119.3768	1.679	86	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]C){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|C<4>,1|O<2>,1|S<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|C<3>,1|S<3>,3|C<4>}	118.3643	0.254	6	118.4310	0.085	7	118.8482	0.384	34	119.3768	1.679	86	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]C){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|C<3>,1|H<1>,1|S<3>,2|C<4>}	118.8310	0.000	1	118.4310	0.085	7	118.8482	0.384	34	119.3768	1.679	86	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]C){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|C<4>,1|O<2>,1|S<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|S<3>,3|C<4>}	118.4793	0.213	7	118.4793	0.045	7	118.8482	0.384	34	119.3768	1.679	86	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]C)(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]C)(CCHH){1|S<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)(S[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	120.0150	0.000	1	120.0150	0.000	1	120.3577	0.141	4	119.3768	1.679	86	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]C)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]C)(CH3){1|S<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)(S[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	120.4720	0.364	3	120.4720	0.133	3	120.3577	0.141	4	119.3768	1.679	86	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCHH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	114.7820	0.000	1	114.7820	0.000	1	117.7600	4.213	4	119.3768	1.679	86	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]C){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CH3){1|N<3>,2|C<3>,2|C<4>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){3|C<3>,3|C<4>}	118.4070	0.000	1	118.4070	0.000	1	117.7600	4.213	4	119.3768	1.679	86	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]C){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){2|C<4>,4|C<3>}	118.3620	0.000	1	118.3620	0.000	1	117.7600	4.213	4	119.3768	1.679	86	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]C){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<4>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){3|C<3>,3|C<4>}	119.4890	0.000	1	119.4890	0.000	1	117.7600	4.213	4	119.3768	1.679	86	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-3:O[6a]-2:	C[5a,6a](C[5a,6a]N[5a]O[6a])(C[5a]N[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(O[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]O[6a])(C[5a]N[5a]C)(C[6a]C[6a]C){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(O[6a]C[6a]){1|O<1>,2|C<4>,3|C<3>}	118.0525	0.828	2	118.0525	0.686	2	118.0525	0.686	2	119.3768	1.679	86	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6,6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6,6a]H)(CCHH)	C[5a,6a](C[6,6a]C[5a,6]N[6,6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6,6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6,6a]H)(CCHH){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[6,6a]C[5a,6]N[6,6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a]){1|N<3>,1|O<1>,2|C<4>,3|C<3>}	117.6140	0.044	2	117.6140	0.002	2	117.6140	0.002	2	119.3768	1.679	86	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(CCHH)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(CCHH){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	119.6520	0.000	1	119.6520	0.000	1	119.6520	0.000	1	119.3768	1.679	86	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a]N)(CCCH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]N[6a]C){1|C<4>,1|N<2>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a]N)(CCCH){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|N<3>,2|C<4>,3|C<3>}	119.7430	0.000	1	119.7430	0.000	1	119.7430	0.000	1	119.3768	1.679	86	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]C)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]Br)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]C)(C[5a]C[5a]H){1|Br<1>,1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(CCHH){1|H<1>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]Br)(O[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	121.6260	0.000	1	121.6260	0.000	1	121.6260	0.000	1	119.3768	1.679	86	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C)(C[5a]C[5a]H){1|C<4>,1|S<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(CCHH){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C)(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	120.7480	0.000	1	120.7480	0.000	1	120.7480	0.000	1	119.3768	1.679	86	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6,6a]C)(C[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6,6a]O)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6,6a]C)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6,6a]O)(O[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	120.6270	0.000	1	120.6270	0.000	1	120.6270	0.000	1	119.3768	1.679	86	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C-4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]C)(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6,6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]C)(C[5a]N[5a]C){1|C<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(CCHH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6,6a]){1|O<2>,2|C<4>,3|C<3>}	118.1295	0.094	2	118.1295	0.009	2	118.1295	0.009	2	119.3768	1.679	86	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:Si-4:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]Si)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(SiC3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Si)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]Si)(C[5a]C[5a]H){1|Si<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(SiC3){1|H<1>,1|O<2>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Si)(S[5a]C[5a]){1|Si<4>,1|C<3>,1|O<2>,2|H<1>}	120.6920	0.000	1	120.6920	0.000	1	120.6920	0.000	1	119.3768	1.679	86	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5,6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]C)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]C)(N[5a]C[5a]C){1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(CCHH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(O[5a]C[5a]){1|O<1>,2|C<3>,2|C<4>}	119.7700	0.000	1	119.7700	0.000	1	119.7700	0.000	1	119.3768	1.679	86	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	122.7850	0.000	1	122.7850	0.000	1	122.6210	0.054	2	119.3768	1.679	86	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]N[5])(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(CH3){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]N[5])(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	122.4570	0.000	1	122.4570	0.000	1	122.6210	0.054	2	119.3768	1.679	86	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C)(N[5a]C[5a]C){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	121.0710	0.000	1	121.0710	0.000	1	121.0710	0.000	1	119.3768	1.679	86	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(CC3)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(CC3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,3|C<4>}	119.2020	0.000	1	119.2020	0.000	1	119.2020	0.000	1	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]2)2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]S)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C){1|S<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)2(CCHH){1|N<3>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]S){1|C<4>,1|O<2>,3|C<3>}	120.6410	0.110	2	120.6410	0.012	2	120.6410	0.012	2	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CBr2H)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CBr2H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,2|C<4>,4|C<3>}	118.8865	0.732	2	118.8865	0.536	2	118.8865	0.536	2	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]C)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]S)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C){1|H<1>,1|S<4>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]C)(CH3){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]S){1|C<4>,1|H<1>,5|C<3>}	120.4320	0.000	1	120.4320	0.000	1	120.4320	0.000	1	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|S<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(CC[6a]HH){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	120.6610	0.000	1	120.6610	0.000	1	119.8397	1.053	32	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(CCHH){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>}	119.3050	0.178	2	119.2847	0.017	3	119.8397	1.053	32	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(CCHH){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|C<4>,3|C<3>}	119.2440	0.000	1	119.2847	0.017	3	119.8397	1.053	32	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|H<1>,3|C<3>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(CH3){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){2|C<4>,3|C<3>}	120.5077	0.089	3	120.5077	0.008	3	119.8397	1.053	32	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(CH3){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	120.4640	0.000	1	120.2690	0.076	2	119.8397	1.053	32	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(CH3){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	120.0740	0.000	1	120.2690	0.076	2	119.8397	1.053	32	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(CH3){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	120.3580	0.000	1	120.3580	0.000	1	119.8397	1.053	32	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(CH3){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	120.7160	0.204	2	120.7160	0.041	2	119.8397	1.053	32	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|S<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(CH3){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|C<4>,4|C<3>}	120.3195	0.401	2	120.3195	0.161	2	119.8397	1.053	32	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CC3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CC3){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,2|N<2>,3|C<3>}	119.6310	0.000	1	119.6310	0.000	1	119.8397	1.053	32	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CCHH){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){1|C<4>,1|O<2>,3|C<3>}	119.7610	0.000	1	119.8755	0.026	2	119.8397	1.053	32	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CCHH){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){2|C<4>,3|C<3>}	119.9900	0.000	1	119.8755	0.026	2	119.8397	1.053	32	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CCHH){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]C){2|C<4>,3|C<3>}	120.1910	0.000	1	120.1910	0.000	1	119.8397	1.053	32	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	121.0310	0.000	1	120.9385	0.009	4	119.8397	1.053	32	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	120.9077	0.089	3	120.9385	0.009	4	119.8397	1.053	32	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<4>,4|C<3>}	119.9070	0.689	2	119.9070	0.474	2	119.8397	1.053	32	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]C){2|C<4>,3|C<3>}	119.7040	0.000	1	119.7040	0.000	1	119.8397	1.053	32	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|S<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|C<4>,3|C<3>}	118.8680	0.000	1	119.4380	0.650	2	119.8397	1.053	32	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|S<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	120.0080	0.000	1	119.4380	0.650	2	119.8397	1.053	32	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]C)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]C)(CH3){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]H){1|C<4>,3|C<3>}	117.3130	0.000	1	117.3130	0.000	1	119.8397	1.053	32	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]C)(CHHO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]C)(CHHO){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]H){1|C<4>,3|C<3>}	116.8920	0.000	1	117.8595	1.872	2	119.8397	1.053	32	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]C)(CHHO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]C)(CHHO){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]H){1|C<4>,3|C<3>}	118.8270	0.000	1	117.8595	1.872	2	119.8397	1.053	32	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]O[6a]H)(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]O[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]O[6a]H)(CCHH){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]O[6a]O){1|C<4>,3|C<3>}	119.2020	0.000	1	119.2020	0.000	1	119.8397	1.053	32	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]O[6a]H)(CCHS)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]O[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]O[6a]H)(CCHS){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]O[6a]O){1|C<4>,3|C<3>}	117.9120	0.000	1	117.9120	0.000	1	119.8397	1.053	32	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:Si-4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Si)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]B)(SiC3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]Si)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Si){1|Si<4>,1|B<3>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]B)(SiC3){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]Si){1|Si<4>,4|C<3>}	120.5680	0.004	2	120.5680	0.000	2	120.5680	0.000	2	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(N[5a,6a]C[5a,6a]2)(CF3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[5a,6a]C){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(N[5a,6a]C[5a,6a]2)(CF3){1|N<2>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H){1|C<4>,1|N<2>,1|N<3>,4|C<3>}	118.4490	0.000	1	118.4490	0.000	1	118.4490	0.000	1	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C)(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]C){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C)(N[5a]C[5a,6a]H){1|C<4>,4|C<3>}	119.9660	0.000	1	119.9660	0.000	1	119.5040	0.427	2	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[5a])(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]C){1|C<4>,1|O<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[5a])(N[5a]C[5a,6a]C){1|C<4>,6|C<3>}	119.0420	0.000	1	119.0420	0.000	1	119.5040	0.427	2	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[5a,6a]-3:C-4:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3){1|N<3>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C){1|C<4>,1|H<1>,5|C<3>}	120.9180	0.000	1	120.9180	0.000	1	120.9180	0.000	1	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5,6a]C[5a])(C[5a]C[6a]S[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5,6a]C)(CCCH)	C[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a]C[6a])(C[5a]S[5a]C)	C[5a,6a](C[5a,6a]C[5,6a]C[5a])(C[5a]C[6a]S[5a])(C[6a]C[6a]C){2|C<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5,6a]C)(CCCH){1|C<4>,1|S<2>,3|C<3>}	C[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a]C[6a])(C[5a]S[5a]C){2|C<3>,2|F<1>,3|C<4>}	121.2070	0.000	1	121.2070	0.000	1	121.2070	0.000	1	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]C){1|Cd<8>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCHH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]C){1|Cd<8>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	122.0354	0.590	7	122.0979	0.291	11	122.0156	0.232	15	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]C){2|Cd<8>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCHH){1|H<1>,1|N<2>,1|N<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]C){2|Cd<8>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	122.2073	0.498	4	122.0979	0.291	11	122.0156	0.232	15	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]C){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]C){1|C<4>,1|H<1>,2|C<3>}	121.7893	0.149	4	121.7893	0.022	4	122.0156	0.232	15	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC3){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	119.4970	0.324	2	119.4970	0.105	2	119.0826	1.952	23	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCFF)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCFF){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	118.5950	0.000	1	118.5950	0.000	1	119.0826	1.952	23	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCHH){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	117.3870	0.000	1	117.3870	0.000	1	119.0826	1.952	23	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	118.8560	0.000	1	118.8560	0.000	1	119.0826	1.952	23	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCHN)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCHN){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	118.0230	0.661	3	118.0230	0.437	3	119.0826	1.952	23	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC[6]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,1|S<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC[6]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,2|C<4>,2|H<1>}	120.9300	0.000	1	120.9300	0.000	1	119.0826	1.952	23	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|Br<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|Br<1>,1|C<4>,3|C<3>}	117.2360	0.000	1	117.2360	0.000	1	119.0826	1.952	23	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	118.8450	0.000	1	118.8450	0.000	1	119.0826	1.952	23	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	119.4720	0.000	1	119.4720	0.000	1	119.0826	1.952	23	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(CHHN)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(CHHN){1|Br<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,2|C<3>,2|C<4>}	117.3200	0.399	3	117.3200	0.159	3	119.0826	1.952	23	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC[6]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]C){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC[6]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	118.9240	0.000	1	118.9240	0.000	1	119.0826	1.952	23	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(CCHH){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,2|C<4>,2|H<1>}	121.0730	0.000	1	121.0730	0.000	1	119.0826	1.952	23	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Cl)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(CH3){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Cl)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	120.8425	0.067	2	120.8425	0.005	2	119.0826	1.952	23	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCHH){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	119.7630	0.000	1	119.7630	0.000	1	119.0826	1.952	23	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,3|C<3>,3|H<1>}	120.6720	0.000	1	120.6720	0.000	1	119.0826	1.952	23	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Si)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Si)(C[6a]C[6a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|Si<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	119.0680	0.000	1	119.0680	0.000	1	119.0826	1.952	23	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|C<4>,2|H<1>}	121.3710	0.000	1	121.3710	0.000	1	119.0826	1.952	23	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[5a,6a]-3:N[5a,6]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6])(C[5a]C[5a,6]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(CH3)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6])(C[5a]C[5a,6]H)(C[6a]C[6a]C){1|B<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6]){1|C<4>,1|N<3>,2|F<1>,2|H<1>,4|C<3>}	122.3125	0.086	2	122.3125	0.007	2	122.3125	0.007	2	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a,6a]H)(CH3)	C[5a,6a](C[6a,6a]N[6a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a,6a]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[6a,6a]N[6a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C){1|C<4>,2|H<1>,3|C<3>}	119.7650	0.000	1	119.7650	0.000	1	119.7650	0.000	1	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5,6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]C)(C[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]C)(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]C)(C[5a]C[5a]C){1|C<2>,2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(CH3){1|C<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]C)(C[5a]C[5a]C){2|C<4>,3|C<3>}	121.5630	0.000	1	122.4890	1.715	2	122.4890	1.715	2	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5,6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]C)(C[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]C)(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]C)(C[5a]C[5a]C){2|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(CH3){1|C<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]C)(C[5a]C[5a]C){1|C<2>,2|C<3>,2|C<4>}	123.4150	0.000	1	122.4890	1.715	2	122.4890	1.715	2	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5]-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[5])(C[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[5]C[5]2C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[5])(C[5a]C[5a]C){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[5]C[5]2C){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	117.1155	0.144	2	117.1155	0.021	2	117.1155	0.021	2	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[6]-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C){1|C<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2C){1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	117.0240	0.475	2	117.4428	0.308	6	117.9199	0.638	12	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[6]-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2C){1|H<1>,1|N<3>,1|O<1>,3|C<3>,3|C<4>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	117.3450	0.437	2	117.4428	0.308	6	117.9199	0.638	12	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[6]-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2C){1|H<1>,1|N<3>,1|O<1>,3|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	117.6300	0.000	1	117.4428	0.308	6	117.9199	0.638	12	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[6]-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2C){1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	118.2890	0.000	1	117.4428	0.308	6	117.9199	0.638	12	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[6]-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	118.8140	0.000	1	118.1560	0.866	2	117.9199	0.638	12	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[6]-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	117.4980	0.000	1	118.1560	0.866	2	117.9199	0.638	12	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[6]-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,2|N<3>,3|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	117.8655	0.066	2	117.8655	0.004	2	117.9199	0.638	12	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[6]-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6]C[6]2H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]H){1|C<2>,1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	119.1695	0.033	2	119.1695	0.001	2	117.9199	0.638	12	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a,6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[5a,6a]C)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[5a,6a]C[5a,6a]2)(CF3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C[6a])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[5a,6a]C)(C[5a]C[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[5a,6a]C[5a,6a]2)(CF3){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C[6a])(N[5a]C[5a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	118.3420	0.000	1	118.3420	0.000	1	118.3420	0.000	1	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[6,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[6a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(C[5a,6a]C[5a,6a]N[5a])(CCHH)	C[5a,6a](C[6,6a]C[5a,6,6a]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[6a]C[5a,6a]C)(N[5a]C[5a,6a]H){5|C<3>}	C[6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(C[5a,6a]C[5a,6a]N[5a])(CCHH){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[6,6a]C[5a,6,6a]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a]){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	125.9590	0.000	1	125.9590	0.000	1	125.9590	0.000	1	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C)(N[5a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C)(N[5a]C[5a,6a]H){1|C<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(CH3){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]C){1|C<4>,2|H<1>,4|C<3>}	123.6410	0.000	1	123.6410	0.000	1	123.6410	0.000	1	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]B)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]B){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|B<3>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|B<3>,1|C<3>,1|C<4>,2|H<1>}	121.4970	0.000	1	121.4970	0.000	1	122.8647	1.639	33	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	120.4320	0.000	1	120.4320	0.000	1	122.8647	1.639	33	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,2|C<4>,2|H<1>}	123.5020	0.014	2	123.5020	0.000	2	122.8647	1.639	33	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	122.2680	0.132	2	122.6245	0.183	4	122.8647	1.639	33	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	122.9810	0.151	2	122.6245	0.183	4	122.8647	1.639	33	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	122.3480	0.000	1	122.3480	0.000	1	122.8647	1.639	33	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	122.0300	0.206	2	122.0300	0.043	2	122.8647	1.639	33	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	121.8942	0.359	4	121.8942	0.129	4	122.8647	1.639	33	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|Br<1>,1|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(CH3){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	126.5920	0.000	1	126.5920	0.000	1	122.8647	1.639	33	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	124.0200	0.000	1	124.0200	0.000	1	122.8647	1.639	33	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	123.4995	0.100	2	123.6381	0.092	7	122.8647	1.639	33	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	123.4360	0.000	1	123.6381	0.092	7	122.8647	1.639	33	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,3|C<4>}	124.0200	0.000	1	123.6381	0.092	7	122.8647	1.639	33	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	123.2140	0.000	1	123.6381	0.092	7	122.8647	1.639	33	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	123.8920	0.000	1	123.6381	0.092	7	122.8647	1.639	33	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	123.9060	0.000	1	123.6381	0.092	7	122.8647	1.639	33	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	124.3770	0.000	1	124.3770	0.000	1	122.8647	1.639	33	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CC[5a]CH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CC[5a]CH){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	123.1735	0.558	2	123.1735	0.311	2	122.8647	1.639	33	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CC[5a]CO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CC[5a]CO){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	123.2220	0.000	1	123.2220	0.000	1	122.8647	1.639	33	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CC[6a]CH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<3>,1|O<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CC[6a]CH){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	123.3470	0.000	1	123.3470	0.000	1	122.8647	1.639	33	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]P)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]P){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH){1|C<4>,1|P<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|P<3>,2|C<4>}	120.4130	0.000	1	120.3060	0.023	2	122.8647	1.639	33	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]P)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]P){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH){1|H<1>,1|P<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	120.1990	0.000	1	120.3060	0.023	2	122.8647	1.639	33	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]N[5a]H){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	123.5810	0.000	1	123.5810	0.000	1	122.8647	1.639	33	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]N[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	123.5550	0.000	1	123.5550	0.000	1	122.8647	1.639	33	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:P-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]P)(N[5a]C[5a]P)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(PC[6a]2Ni)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]P)(N[5a]C[5a]P){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(PC[6a]2Ni){1|H<1>,1|P<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|P<4>}	121.8050	0.000	1	121.8050	0.000	1	122.5370	1.072	2	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:P-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]P)(N[5a]C[5a]P)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(PC[6a]2Pd)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]P)(N[5a]C[5a]P){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(PC[6a]2Pd){1|H<1>,1|P<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|P<4>}	123.2690	0.000	1	123.2690	0.000	1	122.5370	1.072	2	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:S-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]S)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(SCOO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]S)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(SCOO){1|Cl<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|S<4>}	122.3800	0.000	1	122.3800	0.000	1	122.3800	0.000	1	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]C){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	122.5190	0.000	1	122.5190	0.000	1	122.5190	0.000	1	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a,6a]H)(CH3)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[6a,6a]C[6a,6a]2)(C[5a]C[5a,6]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]C){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a,6a]H)(CH3){1|B<4>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[6a,6a]C[6a,6a]2)(C[5a]C[5a,6]H){1|B<4>,1|C<4>,5|C<3>}	121.4426	0.253	5	121.4426	0.064	5	121.4426	0.064	5	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])2(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[5a,6a]C){1|Br<1>,1|C<4>,1|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])2(CH3){2|B<3>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[5a,6a]C){1|Br<1>,1|C<4>,1|N<3>,4|C<3>}	123.0875	0.770	2	123.0875	0.593	2	123.0875	0.593	2	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6,6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6,6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(CH3){2|C<4>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H){2|C<4>,2|H<1>,3|C<3>}	122.5990	0.000	1	122.5990	0.000	1	122.5990	0.000	1	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]C){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	122.1340	0.000	1	122.6834	0.092	12	122.6834	0.092	12	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]C){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	122.8580	0.192	2	122.6834	0.092	12	122.6834	0.092	12	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	123.0680	0.000	1	122.6834	0.092	12	122.6834	0.092	12	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	122.6604	0.255	8	122.6834	0.092	12	122.6834	0.092	12	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5,6a]N)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[5a,6a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){1|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5,6a]N)(CH3){2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[5a,6a]C[6a]N[5a]){1|H<1>,1|O<1>,1|O<2>,3|C<3>,3|C<4>}	122.2130	0.444	2	122.2130	0.197	2	122.2130	0.197	2	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CCHH){1|C<2>,1|C<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|C<2>,1|H<1>,2|C<4>,3|C<3>}	123.4570	0.000	1	123.4570	0.000	1	120.7606	3.256	78	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){2|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CCHH){2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|H<1>,3|C<3>,3|C<4>}	121.7127	0.249	3	121.7127	0.062	3	120.7606	3.256	78	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){2|C<4>,2|H<1>,5|C<3>}	123.0330	0.000	1	123.0330	0.000	1	120.7606	3.256	78	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){2|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){2|C<4>,2|H<1>,3|C<3>}	122.1980	0.000	1	122.1980	0.000	1	120.7606	3.256	78	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){2|C<4>,2|H<1>,3|C<3>}	121.8477	0.260	3	122.0282	0.176	4	120.7606	3.256	78	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<4>,2|H<1>,4|C<3>}	122.5700	0.000	1	122.0282	0.176	4	120.7606	3.256	78	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	120.3620	0.000	1	120.3620	0.000	1	120.7606	3.256	78	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){1|C<4>,1|N<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(CCHH){1|C<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]C){1|H<1>,2|C<4>,3|C<3>}	122.3070	0.000	1	122.3070	0.000	1	120.7606	3.256	78	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	121.4077	0.301	7	121.4077	0.091	7	120.7606	3.256	78	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Fe)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHHP)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Fe)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHHP){1|Fe<4>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Fe<4>,1|H<1>,2|C<4>,3|C<3>}	119.2622	0.856	15	119.2622	0.733	15	120.7606	3.256	78	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){1|C<4>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CCHH){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	123.7340	0.105	4	123.7340	0.011	4	120.7606	3.256	78	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC3){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	121.5960	0.215	2	121.5960	0.046	2	120.7606	3.256	78	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCFF)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCFF){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	121.3300	0.000	1	121.3300	0.000	1	120.7606	3.256	78	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	122.8500	0.000	1	122.8500	0.000	1	120.7606	3.256	78	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){2|C<4>,2|H<1>,3|C<3>}	123.0320	0.000	1	123.0320	0.000	1	120.7606	3.256	78	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	122.0368	0.546	6	122.0368	0.298	6	120.7606	3.256	78	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHHP)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHHP){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	121.4780	0.000	1	121.4780	0.000	1	120.7606	3.256	78	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CP[5]HH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CP[5]HH){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	121.3655	0.120	2	121.3655	0.014	2	120.7606	3.256	78	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){1|C<4>,1|N<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(CH3){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]C){1|C<4>,2|H<1>,3|C<3>}	122.9250	0.000	1	122.9250	0.000	1	120.7606	3.256	78	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CCHH){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	124.7620	0.000	1	124.7620	0.000	1	120.7606	3.256	78	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Li)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHHP)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Li)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHHP){1|Li<3>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Li<3>,1|H<1>,2|C<4>,3|C<3>}	119.3140	0.079	2	119.3140	0.006	2	120.7606	3.256	78	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Ni)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHHP)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Ni)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHHP){1|Ni<4>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Ni<4>,1|H<1>,2|C<4>,3|C<3>}	119.0768	0.327	4	119.0768	0.107	4	120.7606	3.256	78	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Ni)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CP[5]HH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Ni)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CP[5]HH){1|Ni<4>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Ni<4>,1|H<1>,2|C<4>,3|C<3>}	117.7085	0.252	2	117.7085	0.064	2	120.7606	3.256	78	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Pd)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHHP)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Pd)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHHP){1|Pd<4>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Pd<4>,1|H<1>,2|C<4>,3|C<3>}	118.5730	0.081	2	118.5730	0.006	2	120.7606	3.256	78	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]C){2|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CCHH){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	123.4800	0.000	1	123.4800	0.000	1	120.7606	3.256	78	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]C){2|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CH3){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	123.3220	0.000	1	123.3220	0.000	1	120.7606	3.256	78	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Ti)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHHP)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Ti)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHHP){1|Ti<6>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Ti<6>,1|H<1>,2|C<4>,3|C<3>}	117.9430	0.359	4	117.9430	0.129	4	120.7606	3.256	78	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Zn)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Zn)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC3){1|Zn<2>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Zn<2>,1|H<1>,2|C<4>,3|C<3>}	120.0501	0.570	8	120.0501	0.325	8	120.7606	3.256	78	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CCHH){1|C<4>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a]){1|H<1>,1|N<2>,2|C<4>,4|C<3>}	122.1815	0.111	2	122.1815	0.012	2	122.8314	0.440	5	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CH3){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a]){2|C<4>,2|H<1>,5|C<3>}	123.0260	0.000	2	123.0260	0.000	2	122.8314	0.440	5	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CC3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CC3){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a]){1|C<4>,3|H<1>,5|C<3>}	123.7420	0.000	1	123.7420	0.000	1	122.8314	0.440	5	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	120.9600	0.000	1	120.9600	0.000	1	120.9600	0.000	1	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6]-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]C[6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(C[6]C[6]2C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]C[6]){3|C<3>,3|H<1>,4|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(C[6]C[6]2C){2|C<4>,4|C<3>,5|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	120.2180	0.000	2	120.2180	0.000	2	120.2180	0.000	2	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:S-4:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(SCOO)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]S){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(SCOO){1|C<4>,1|F<1>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|S<4>,2|H<1>,3|C<3>}	118.7040	0.000	1	118.7040	0.000	1	118.7040	0.000	1	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:Si-4:	C[5a,6a]-3:C[5a,6a]-3:C[5,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]Si)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5,6a]H)(SiC3)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[5,6a]C[5,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]Si){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5,6a]H)(SiC3){1|Se<2>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[5,6a]C[5,6a]2){1|Se<2>,1|Si<4>,1|C<4>,6|C<3>}	126.5418	0.383	4	126.5418	0.147	4	126.5418	0.147	4	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:Si-4:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)(C[6a]C[6a]Si)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(SiC3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)2	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)(C[6a]C[6a]Si){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(SiC3){1|C<4>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)2{1|Si<4>,1|C<4>,1|S<2>,6|C<3>}	125.6415	0.199	4	125.6415	0.040	4	125.6415	0.040	4	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:Si-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]Si)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(SiC3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]Si){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(SiC3){1|C<4>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Si<4>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	122.2870	0.000	1	122.2870	0.000	1	123.2703	0.726	3	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:Si-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]Si)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(SiC3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Si)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]Si){1|Si<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(SiC3){1|B<3>,1|C<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Si){1|Si<4>,1|B<3>,1|C<4>,1|H<1>,3|C<3>}	123.7620	0.031	2	123.7620	0.001	2	123.2703	0.726	3	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(CH3){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){2|C<4>,3|C<3>}	121.7455	0.115	2	121.7455	0.013	2	121.7455	0.013	2	121.0710	4.498	264	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:4:2:	3:2:2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6]-4:N[6a]-2:	C[5a,6a]-3:S[5a]-2:N[6a]-2:	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]C[6])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6]C[6]2C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a])	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]C[6]){1|C<2>,1|C<3>,2|H<1>,4|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6]C[6]2C)(N[6a]C[6a]){1|N<2>,1|S<2>,2|C<3>,2|C<4>,5|H<1>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<4>}	113.1870	0.000	1	113.1870	0.000	1	113.1870	0.000	1	113.1870	0.000	1	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:4:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5]-4:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]C[5])(N[5a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]C[5]2H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]C[5])(N[5a]C[5a,6a]C){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]C[5]2H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	119.5320	0.000	1	119.5320	0.000	1	119.9455	0.342	2	120.1340	0.278	3	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:4:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5]-4:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]C[5])(N[5a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]C[5]O[5]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]C[5])(N[5a]C[5a,6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]C[5]O[5]H)(N[6a]C[6a]){2|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	120.3590	0.000	1	120.3590	0.000	1	119.9455	0.342	2	120.1340	0.278	3	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:4:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6]-4:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]C[6])(N[5a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6]N[6,6]C[6]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]C[6])(N[5a]C[5a,6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6]N[6,6]C[6]H)(N[6a]C[6a]){1|C<4>,4|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	120.5110	0.000	1	120.5110	0.000	1	120.5110	0.000	1	120.1340	0.278	3	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:4:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C-4:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(CC[6a]P[6]H)(C[6a]O[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]O[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(CC[6a]P[6]H)(C[6a]O[6a]H){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]O[6a]O){1|C<4>,3|C<3>}	119.0770	0.000	1	119.0770	0.000	1	119.0770	0.000	1	119.6378	4.510	5	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:4:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5]-4:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[5])(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5]N)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[5])(C[5a]C[5a]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5]N)(C[6a]C[6a]O){1|O<1>,2|H<1>,2|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	119.4870	0.000	1	119.4870	0.000	1	119.4870	0.000	1	119.6378	4.510	5	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:4:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6]-4:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6]C[3,6]C[6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6]C[3,6]C[6]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,5|C<4>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	117.2600	0.000	1	117.2600	0.000	1	118.2675	2.030	2	119.6378	4.510	5	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:4:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6]-4:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6]C[6,6a]N[6]H)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6]C[6,6a]N[6]H)(C[6a]C[6a]O){1|N<3>,1|S<4>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	119.2750	0.000	1	119.2750	0.000	1	118.2675	2.030	2	119.6378	4.510	5	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:4:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5]-4:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[5])(N[5a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]C[3,5]C[5]C)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[5])(N[5a]C[5a,6a]H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]C[3,5]C[5]C)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	123.0900	0.000	1	123.0900	0.000	1	123.0900	0.000	1	119.6378	4.510	5	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	4:3:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5]-4:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C[5])	C[6a](C[5]C[6a]C[5]O[5])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C[5]){1|H<1>,2|O<2>,6|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O){2|O<2>,8|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>}	121.5820	0.000	1	121.5820	0.000	1	121.5820	0.000	1	121.5820	0.000	1	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(B[5a]N[5,5a]CC)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]B[5a])(C[6a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]B[5a]C[6a])(N[5,5a]N[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(B[5a]N[5,5a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]B[5a])(C[6a]C[5a]C[6a])(H){1|H<1>,1|S<2>,2|C<3>,2|C<4>,2|N<3>}	C[5a,6a](C[5a,6a]B[5a]C[6a])(N[5,5a]N[5,5a]C[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	116.8473	0.617	3	116.8473	0.381	3	116.9875	0.332	4	123.1820	9.657	25	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(B[5a]N[5,5a]CC)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]B[5a]C[6a])(N[5,5a]N[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(B[5a]N[5,5a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]2)(H){1|H<1>,2|C<4>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]B[5a]C[6a])(N[5,5a]N[5,5a]C[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	117.4080	0.000	1	117.4080	0.000	1	116.9875	0.332	4	123.1820	9.657	25	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,5a]-4:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]C[5a,6a]3)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]C[5a,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,5a]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	125.1960	0.280	8	125.1960	0.078	8	125.1960	0.078	8	123.1820	9.657	25	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-4:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]N[5a]C[6]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]N[5a]C[6]2)(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	123.9840	0.000	1	123.9840	0.000	1	123.9840	0.000	1	123.1820	9.657	25	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-4:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	124.4004	0.286	10	124.4004	0.082	10	124.4004	0.082	10	123.1820	9.657	25	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-4:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]CC)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]CC)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|N<2>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	124.0820	0.000	1	124.0820	0.000	1	124.0820	0.000	1	123.1820	9.657	25	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-4:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]Li2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]Li2)(C[6a]C[6a]H){1|B<3>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|Li<4>,1|B<3>,1|C<3>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H){2|Li<4>,1|B<3>,1|C<3>,2|H<1>}	117.9610	0.000	1	117.9610	0.000	1	117.9610	0.000	1	123.1820	9.657	25	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:4:3:	3:3:3:	3:3:2:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5,5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5,5a]N[6a])(B[5a]N[5,5a]FF)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]2)(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]B[5a]C[6a])(N[5,5a]N[5,5a]C[5])(N[6a]N[6a])	C[5a,6a](C[5a,6a]N[5,5a]N[6a])(B[5a]N[5,5a]FF)(C[6a]C[6a]2){1|N<2>,1|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]2)(C[6a]N[6a]N){1|N<2>,2|C<3>,2|F<1>,2|H<1>,2|N<3>}	C[5a,6a](C[5a,6a]B[5a]C[6a])(N[5,5a]N[5,5a]C[5])(N[6a]N[6a]){1|C<4>,2|F<1>,4|C<3>}	115.0390	0.000	1	115.0390	0.000	1	115.0390	0.000	1	115.0390	0.000	1	120.7402	3.488	26634	120.9058	3.134	72735
727	643	727	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	C[5a,6a]	3:4:3:	3:3:4:	3:3:2:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5,5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5,5a]N[6a])(B[5a]N[5,5a]FF)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]B[5a])(C[6a]N[5a]N[6a])(CCHH)	C[5a,6a](C[5a,6a]B[5a]C[6a])(N[5,5a]N[5,5a]C[5])(N[6a]N[6a])	C[5a,6a](C[5a,6a]N[5,5a]N[6a])(B[5a]N[5,5a]FF)(C[6a]C[6a]C){1|N<2>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]B[5a])(C[6a]N[5a]N[6a])(CCHH){1|C<3>,2|F<1>,2|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]B[5a]C[6a])(N[5,5a]N[5,5a]C[5])(N[6a]N[6a]){2|C<4>,2|F<1>,3|C<3>}	115.4900	0.000	1	115.4900	0.000	1	115.4900	0.000	1	115.4900	0.000	1	120.7402	3.488	26634	120.9058	3.134	72735